| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 42.6 | Very low | 40.6 | Very low | 113 Ų | 113 | 82.7 Ų | 82.7 | 56% | 0.557 | 47% | 0.47 | S | S | * | . | 0 | -140.7 | 0 | -64.2 | 160.7 | -171.2 | 0 | 0 | 105.9 | I3 A4 D5 | M1-I3 PolarHBondContact O-N 3.15Å; M1-A4 PolarHBondContact O-N 3.24Å; M1-D5 WeakPolarHBondContact CA-OD2 3.41Å; M1-D5 WeakPolarHBondContact CB-OD2 3.4Å | |||
| 2 | A | 45.9 | Very low | 40.1 | Very low | 29 Ų | 29 | 80.3 Ų | 80.3 | 24% | 0.24 | 46% | 0.461 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 24.3 | -77 | 177.9 | 0 | 0 | 0 | 0 | 0 | 118.2 | A4 D5 L6 | A2-A4 PolarHBondContact O-N 3.49Å; A2-D5 PolarHBondContact N-OD2 3.29Å; A2-D5 PolarHBondContact O-N 3.06Å; A2-L6 WeakPolarHBondContact O-CD1 3.23Å; A2-L6 PolarHBondContact O-N 3.1Å |
| 3 | I | 45.8 | Very low | 39.6 | Very low | 24 Ų | 24 | 78 Ų | 78 | 12% | 0.123 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -52.5 | -37.4 | 174.4 | -57.6 | 176.6 | 0 | 0 | 0 | 112.6 | M1 I182 W183 M186 | M1-I3 PolarHBondContact O-N 3.15Å; I3-I182 HydrophobicContact CG2-CG2 4.29Å; I3-W183 HydrophobicContact CD1-CZ2 4.38Å; I3-W183 HydrophobicContact CG2-CH2 4.34Å; I3-W183 HydrophobicContact CG2-CZ2 4.26Å; I3-M186 HydrophobicContact CG2-CE 4Å; I3-M186 HydrophobicContact CG2-SD 3.56Å; I3-M186 VanDerWaalsContact CG2-SD 3.56Å |
| 4 | A | 44.6 | Very low | 39.6 | Very low | 26 Ų | 26 | 78 Ų | 78 | 22% | 0.215 | 47% | 0.472 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | -42 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 A2 L6 S7 H281 | M1-A4 PolarHBondContact O-N 3.24Å; A2-A4 PolarHBondContact O-N 3.49Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.37Å; A4-S7 WeakPolarHBondContact O-CB 3.44Å; A4-S7 PolarHBondContact O-N 2.83Å; A4-S7 PolarHBondContact O-OG 3.29Å; A4-H281 WeakPolarHBondContact CB-NE2 3.38Å |
| 5 | D | 45.6 | Very low | 40.5 | Very low | 87 Ų | 87 | 83.3 Ų | 83.3 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -65.9 | -34.6 | -179.4 | -57.9 | -78.4 | 0 | 0 | 0 | 111.1 | M1 A2 S7 T8 | M1-D5 WeakPolarHBondContact CA-OD2 3.41Å; M1-D5 WeakPolarHBondContact CB-OD2 3.4Å; A2-D5 PolarHBondContact N-OD2 3.29Å; A2-D5 PolarHBondContact O-N 3.06Å; D5-S7 PolarHBondContact O-N 3.23Å; D5-T8 PolarHBondContact O-N 2.96Å; D5-T8 PolarHBondContact O-OG1 3.39Å |
| 6 | L | 37 | Very low | 41.6 | Very low | 52 Ų | 52 | 80.8 Ų | 80.8 | 27% | 0.272 | 48% | 0.48 | S | S | . | . | G | 310 helix | trans | -69.8 | -9.3 | 169.9 | -91.6 | 82 | 0 | 0 | 0 | 114.8 | A2 A4 T8 Q9 L16 | A2-L6 WeakPolarHBondContact O-CD1 3.23Å; A2-L6 PolarHBondContact O-N 3.1Å; A4-L6 VanDerWaalsContact C-N 3.28Å; A4-L6 PolarHBondContact O-N 3.37Å; L6-T8 PolarHBondContact O-N 3.15Å; L6-Q9 CarbonylContact O-C 3.42Å; L6-Q9 PolarHBondContact O-N 3.16Å; L6-L16 HydrophobicContact CB-CD1 4.46Å; L6-L16 HydrophobicContact CD2-CD1 4.05Å; L6-L16 HydrophobicContact CD2-CG 4.37Å |
| 7 | S | 38.4 | Very low | 43.8 | Very low | 67 Ų | 67 | 78.6 Ų | 78.6 | 47% | 0.469 | 47% | 0.465 | S | S | . | . | G | 310 helix | trans | -63.7 | -19.5 | 171.9 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | A4 D5 Q9 | A4-S7 WeakPolarHBondContact O-CB 3.44Å; A4-S7 PolarHBondContact O-N 2.83Å; A4-S7 PolarHBondContact O-OG 3.29Å; D5-S7 PolarHBondContact O-N 3.23Å; S7-Q9 VanDerWaalsContact C-N 3.26Å; S7-Q9 PolarHBondContact O-N 3.05Å |
| 8 | T | 40.1 | Very low | 45.9 | Very low | 113 Ų | 113 | 77.4 Ų | 77.4 | 69% | 0.693 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -75.8 | -8.6 | 170.9 | 65.8 | 0 | 0 | 0 | 0 | 113.9 | D5 L6 | D5-T8 PolarHBondContact O-N 2.96Å; D5-T8 PolarHBondContact O-OG1 3.39Å; L6-T8 PolarHBondContact O-N 3.15Å |
| 9 | Q | 33.3 | Very low | 48 | Very low | 124 Ų | 124 | 73.4 Ų | 73.4 | 58% | 0.579 | 43% | 0.43 | S | S | * | . | trans | -130.1 | 64.7 | -174.8 | -61.6 | -170.8 | 15.5 | 0 | 0 | 111.3 | L6 S7 N11 S12 | L6-Q9 CarbonylContact O-C 3.42Å; L6-Q9 PolarHBondContact O-N 3.16Å; S7-Q9 VanDerWaalsContact C-N 3.26Å; S7-Q9 PolarHBondContact O-N 3.05Å; Q9-N11 PolarHBondContact O-N 3.3Å; Q9-S12 PolarHBondContact O-N 3.36Å; Q9-S12 VanDerWaalsContact O-N 3.14Å; Q9-S12 PolarHBondContact O-OG 3.44Å | ||
| 10 | T | 38.4 | Very low | 49.7 | Very low | 106 Ų | 106 | 72.8 Ų | 72.8 | 65% | 0.65 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.5 | -13.1 | -166.2 | 49.2 | 0 | 0 | 0 | 0 | 117.4 | ||
| 11 | N | 34.9 | Very low | 51.4 | Low | 169 Ų | 169 | 72.8 Ų | 72.8 | 90% | 0.904 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.1 | -0.7 | 179.7 | -81.3 | -22.1 | 0 | 0 | 0 | 115.6 | Q9 | Q9-N11 PolarHBondContact O-N 3.3Š|
| 12 | S | 34.7 | Very low | 53.6 | Low | 53 Ų | 53 | 67.5 Ų | 67.5 | 37% | 0.371 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -104.2 | -6.8 | 178.9 | 65.6 | 0 | 0 | 0 | 0 | 115.1 | Q9 G14 | Q9-S12 PolarHBondContact O-N 3.36Å; Q9-S12 VanDerWaalsContact O-N 3.14Å; Q9-S12 PolarHBondContact O-OG 3.44Å; S12-G14 PolarHBondContact O-N 3.42Å |
| 13 | L | 33.6 | Very low | 55.5 | Low | 51 Ų | 51 | 70 Ų | 70 | 27% | 0.267 | 41% | 0.407 | S | S | . | . | G | 310 helix | trans | -58.4 | -19.1 | -173.2 | -101 | 145.2 | 0 | 0 | 0 | 115.7 | N15 L16 W183 | L13-N15 PolarHBondContact O-N 2.72Å; L13-N15 VanDerWaalsContact O-N 3.16Å; L13-L16 HydrophobicContact CD2-CD1 3.94Å; L13-L16 PolarHBondContact O-N 3.25Å; L13-W183 HydrophobicContact CD2-CH2 3.86Å; L13-W183 HydrophobicContact CD2-CZ3 3.98Å |
| 14 | G | 40.1 | Very low | 57.4 | Low | 78 Ų | 78 | 73.7 Ų | 73.7 | 80% | 0.804 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -65.5 | -13.4 | -176 | 0 | 0 | 0 | 0 | 0 | 116.2 | S12 | S12-G14 PolarHBondContact O-N 3.42Š|
| 15 | N | 52.3 | Low | 59.3 | Low | 157 Ų | 157 | 72.7 Ų | 72.7 | 84% | 0.84 | 42% | 0.415 | S | S | * | . | G | 310 helix | trans | -112 | 10 | -177.1 | -69.1 | -7.5 | 0 | 0 | 0 | 114.1 | L13 L17 | L13-N15 PolarHBondContact O-N 2.72Å; L13-N15 VanDerWaalsContact O-N 3.16Å; N15-L17 PolarHBondContact O-N 3.29Å |
| 16 | L | 58.8 | Low | 61.4 | Low | 44 Ų | 44 | 68.6 Ų | 68.6 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | trans | -81.1 | 111 | 176.9 | -85.6 | 171 | 0 | 0 | 0 | 111.3 | L6 L13 W183 | L6-L16 HydrophobicContact CB-CD1 4.46Å; L6-L16 HydrophobicContact CD2-CD1 4.05Å; L6-L16 HydrophobicContact CD2-CG 4.37Å; L13-L16 HydrophobicContact CD2-CD1 3.94Å; L13-L16 PolarHBondContact O-N 3.25Å; L16-W183 HydrophobicContact CB-CH2 4.48Å | ||
| 17 | L | 78.4 | Confident | 63.7 | Low | 44 Ų | 44 | 70 Ų | 70 | 23% | 0.23 | 40% | 0.401 | C | S | . | . | trans | -69.1 | 138.9 | 175.8 | -70.4 | 167.2 | 0 | 0 | 0 | 112.3 | N15 D21 V22 M63 L66 Y67 | N15-L17 PolarHBondContact O-N 3.29Å; L17-D21 HydrophobicContact CD2-CB 4.34Å; L17-V22 HydrophobicContact CD1-CG1 4.32Å; L17-V22 HydrophobicContact CD2-CG1 4.28Å; L17-M63 HydrophobicContact CD1-CB 4.25Å; L17-M63 HydrophobicContact CD1-CE 3.77Å; L17-M63 WeakPolarHBondContact CD1-O 3.28Å; L17-M63 HydrophobicContact CD1-SD 4.27Å; L17-M63 HydrophobicContact CD2-CE 3.54Å; L17-M63 HydrophobicContact CG-CE 4.11Å; L17-L66 HydrophobicContact CD1-CB 4.16Å; L17-Y67 HydrophobicContact CB-CD2 4.29Å | ||
| 18 | K | 81.2 | Confident | 65.9 | Low | 56 Ų | 56 | 71.3 Ų | 71.3 | 24% | 0.243 | 40% | 0.399 | C | S | . | . | trans | -108.4 | 158.9 | 174.7 | -47.7 | -178.2 | -175 | -156.9 | 0 | 111 | S20 D21 V22 E179 W183 | K18-S20 WeakPolarHBondContact CB-OG 3.17Å; K18-S20 PolarHBondContact O-N 3.26Å; K18-S20 VanDerWaalsContact O-N 3.11Å; K18-D21 WeakPolarHBondContact CB-OD2 3.45Å; K18-D21 WeakPolarHBondContact CG-OD2 3.44Å; K18-D21 PolarHBondContact N-OD2 3.07Å; K18-D21 PolarHBondContact O-N 3.49Å; K18-V22 PolarHBondContact O-N 2.97Å; K18-E179 VanDerWaalsContact CA-OE2 3.27Å; K18-E179 WeakPolarHBondContact CA-OE2 3.43Å; K18-E179 WeakPolarHBondContact CB-OE2 3.46Å; K18-W183 HydrophobicContact CD-CD2 4.25Å; K18-W183 HydrophobicContact CD-CG 4.25Å; K18-W183 HydrophobicContact CD-CZ2 4.26Å; K18-W183 HydrophobicContact CG-CZ2 4.09Å | ||
| 19 | A | 85.8 | Confident | 68.1 | Low | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.008 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -29.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113 | K23 Y67 R175 M176 E179 | A19-K23 VanDerWaalsContact O-CA 3.32Å; A19-K23 WeakPolarHBondContact O-CA 3.42Å; A19-K23 VanDerWaalsContact O-CB 3.31Å; A19-K23 WeakPolarHBondContact O-CB 3.33Å; A19-K23 PolarHBondContact O-N 3.38Å; A19-K23 VanDerWaalsContact O-N 3.16Å; A19-Y67 HydrophobicContact CB-CE2 4.46Å; A19-Y67 WeakPolarHBondContact CB-OH 3.39Å; A19-R175 HydrophobicContact CB-CG 4.11Å; A19-M176 HydrophobicContact CB-CG 4.18Å; A19-E179 PolarHBondContact N-OE2 3.2Å |
| 20 | S | 83.5 | Confident | 70.7 | Confident | 61 Ų | 61 | 65.3 Ų | 65.3 | 43% | 0.427 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -37.3 | 174.1 | 45 | 0 | 0 | 0 | 0 | 113.3 | K18 K23 | K18-S20 WeakPolarHBondContact CB-OG 3.17Å; K18-S20 PolarHBondContact O-N 3.26Å; K18-S20 VanDerWaalsContact O-N 3.11Å; S20-K23 VanDerWaalsContact O-CB 3.31Å; S20-K23 WeakPolarHBondContact O-CB 3.09Å; S20-K23 PolarHBondContact O-N 3.39Å |
| 21 | D | 84.6 | Confident | 73.2 | Confident | 74 Ų | 74 | 60.2 Ų | 60.2 | 40% | 0.396 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -41 | -164.9 | -43.3 | -20.6 | 0 | 0 | 0 | 109.2 | L17 K18 K23 H24 | L17-D21 HydrophobicContact CD2-CB 4.34Å; K18-D21 WeakPolarHBondContact CB-OD2 3.45Å; K18-D21 WeakPolarHBondContact CG-OD2 3.44Å; K18-D21 PolarHBondContact N-OD2 3.07Å; K18-D21 PolarHBondContact O-N 3.49Å; D21-K23 VanDerWaalsContact C-N 3.34Å; D21-H24 PolarHBondContact O-CE1 2.92Å; D21-H24 PolarHBondContact O-ND1 3.23Å |
| 22 | V | 87.7 | Confident | 75.9 | Confident | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -90.2 | 10 | 171.4 | -57.9 | 0 | 0 | 0 | 0 | 113.2 | L17 K18 H24 I25 L26 M63 Y67 | L17-V22 HydrophobicContact CD1-CG1 4.32Å; L17-V22 HydrophobicContact CD2-CG1 4.28Å; K18-V22 PolarHBondContact O-N 2.97Å; V22-H24 VanDerWaalsContact C-N 3.29Å; V22-H24 PolarHBondContact O-N 3.38Å; V22-I25 HydrophobicContact CB-CD1 3.98Å; V22-I25 HydrophobicContact CB-CG1 4.34Å; V22-I25 HydrophobicContact CG1-CD1 4.02Å; V22-I25 WeakPolarHBondContact O-CA 3.43Å; V22-I25 WeakPolarHBondContact O-CB 2.91Å; V22-I25 PolarHBondContact O-N 3.06Å; V22-L26 HydrophobicContact CG2-CD1 3.78Å; V22-L26 HydrophobicContact CG2-CG 4.13Å; V22-L26 PolarHBondContact O-N 2.82Å; V22-M63 HydrophobicContact CG1-CB 4.21Å; V22-Y67 HydrophobicContact CG2-CD1 3.65Å; V22-Y67 HydrophobicContact CG2-CD2 4.24Å; V22-Y67 HydrophobicContact CG2-CE1 4.12Å; V22-Y67 HydrophobicContact CG2-CG 3.72Å |
| 23 | K | 87.6 | Confident | 78.6 | Confident | 80 Ų | 80 | 50.3 Ų | 50.3 | 35% | 0.348 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -54.8 | -43.8 | -175.1 | -173.2 | 177.6 | -174.4 | 166.2 | 0 | 112.9 | A19 S20 D21 I25 L26 N27 L172 M176 | A19-K23 VanDerWaalsContact O-CA 3.32Å; A19-K23 WeakPolarHBondContact O-CA 3.42Å; A19-K23 VanDerWaalsContact O-CB 3.31Å; A19-K23 WeakPolarHBondContact O-CB 3.33Å; A19-K23 PolarHBondContact O-N 3.38Å; A19-K23 VanDerWaalsContact O-N 3.16Å; S20-K23 VanDerWaalsContact O-CB 3.31Å; S20-K23 WeakPolarHBondContact O-CB 3.09Å; S20-K23 PolarHBondContact O-N 3.39Å; D21-K23 VanDerWaalsContact C-N 3.34Å; K23-I25 VanDerWaalsContact C-N 3.26Å; K23-I25 PolarHBondContact O-N 3.45Å; K23-L26 PolarHBondContact O-N 2.78Å; K23-N27 PolarHBondContact O-N 3.43Å; K23-N27 PolarHBondContact O-OD1 3.39Å; K23-L172 HydrophobicContact CG-CD2 4.46Å; K23-M176 HydrophobicContact CD-CE 4.1Å; K23-M176 HydrophobicContact CD-SD 3.56Å; K23-M176 VanDerWaalsContact CD-SD 3.56Å; K23-M176 VanDerWaalsContact CE-SD 3.57Å; K23-M176 HydrophobicContact CG-SD 4.36Å; K23-M176 PolarHBondContact NZ-SD 3.17Å |
| 24 | H | 84.2 | Confident | 81.1 | Confident | 103 Ų | 103 | 48 Ų | 48 | 48% | 0.477 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 179 | 60.2 | -77.8 | 0 | 0 | 0 | 111.6 | D21 V22 E28 | D21-H24 PolarHBondContact O-CE1 2.92Å; D21-H24 PolarHBondContact O-ND1 3.23Å; V22-H24 VanDerWaalsContact C-N 3.29Å; V22-H24 PolarHBondContact O-N 3.38Å; H24-E28 PolarHBondContact O-N 3Å |
| 25 | I | 86.2 | Confident | 83.3 | Confident | 4 Ų | 4 | 44.3 Ų | 44.3 | 2% | 0.021 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -73.5 | -35.2 | 178.3 | -30.6 | 176 | 0 | 0 | 0 | 112 | V22 K23 L30 E60 M63 L64 | V22-I25 HydrophobicContact CB-CD1 3.98Å; V22-I25 HydrophobicContact CB-CG1 4.34Å; V22-I25 HydrophobicContact CG1-CD1 4.02Å; V22-I25 WeakPolarHBondContact O-CA 3.43Å; V22-I25 WeakPolarHBondContact O-CB 2.91Å; V22-I25 PolarHBondContact O-N 3.06Å; K23-I25 VanDerWaalsContact C-N 3.26Å; K23-I25 PolarHBondContact O-N 3.45Å; I25-L30 HydrophobicContact CG2-CD1 3.55Å; I25-E60 HydrophobicContact CD1-CB 3.98Å; I25-E60 HydrophobicContact CD1-CG 4.18Å; I25-E60 WeakPolarHBondContact CD1-O 3.32Å; I25-E60 HydrophobicContact CG1-CB 4.34Å; I25-E60 HydrophobicContact CG1-CG 4.39Å; I25-E60 HydrophobicContact CG2-CB 4.02Å; I25-M63 HydrophobicContact CD1-CB 4.23Å; I25-L64 HydrophobicContact CB-CB 4.47Å; I25-L64 HydrophobicContact CG2-CB 3.94Å; I25-L64 HydrophobicContact CG2-CD2 4.02Å; I25-L64 HydrophobicContact CG2-CG 4.46Å |
| 26 | L | 87.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -65.9 | -46.1 | 173.2 | -74.4 | 167.3 | 0 | 0 | 0 | 111.2 | V22 K23 E28 R29 L64 Y67 L68 H168 W171 L172 | V22-L26 HydrophobicContact CG2-CD1 3.78Å; V22-L26 HydrophobicContact CG2-CG 4.13Å; V22-L26 PolarHBondContact O-N 2.82Å; K23-L26 PolarHBondContact O-N 2.78Å; L26-E28 PolarHBondContact O-N 2.88Å; L26-R29 WeakPolarHBondContact O-CA 3.42Å; L26-R29 PolarHBondContact O-N 3.07Å; L26-L64 HydrophobicContact CD2-CD1 3.51Å; L26-L64 HydrophobicContact CG-CD1 3.95Å; L26-Y67 HydrophobicContact CD1-CE1 3.97Å; L26-Y67 HydrophobicContact CD2-CE1 4.47Å; L26-L68 HydrophobicContact CD2-CD2 4.26Å; L26-H168 PolarHBondContact O-NE2 3.32Å; L26-H168 VanDerWaalsContact O-NE2 3.1Å; L26-W171 HydrophobicContact CD1-CZ3 4.43Å; L26-W171 HydrophobicContact CD2-CH2 4.5Å; L26-W171 HydrophobicContact CD2-CZ3 4.08Å; L26-L172 HydrophobicContact CB-CD1 4.13Å; L26-L172 HydrophobicContact CD1-CD1 3.71Å |
| 27 | N | 86.2 | Confident | 86.6 | Confident | 82 Ų | 82 | 36.4 Ų | 36.4 | 44% | 0.439 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -55.2 | -33.6 | 176.4 | -76.4 | 15.4 | 0 | 0 | 0 | 113 | K23 R29 L172 | K23-N27 PolarHBondContact O-N 3.43Å; K23-N27 PolarHBondContact O-OD1 3.39Å; N27-R29 PolarHBondContact O-N 3.38Å; N27-L172 WeakPolarHBondContact OD1-CD2 3.38Å |
| 28 | E | 84.5 | Confident | 87.2 | Confident | 94 Ų | 94 | 34.8 Ų | 34.8 | 44% | 0.439 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -6.7 | 175.1 | -73.6 | -172.2 | -151.2 | 0 | 0 | 114.1 | H24 L26 L30 | H24-E28 PolarHBondContact O-N 3Å; L26-E28 PolarHBondContact O-N 2.88Å; E28-L30 HydrophobicContact CB-CD1 4.11Å; E28-L30 HydrophobicContact CB-CG 4.04Å; E28-L30 PolarHBondContact O-N 3.46Å; E28-L30 VanDerWaalsContact O-N 3.11Å; E28-L30 WeakPolarHBondContact OE2-CD1 3.19Å |
| 29 | R | 86.9 | Confident | 87.5 | Confident | 101 Ų | 101 | 38 Ų | 38 | 38% | 0.381 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 30 | -178.9 | -56.5 | -178.6 | -178.4 | -164.6 | -1.4 | 112.9 | L26 N27 A31 L32 P48 E169 | L26-R29 WeakPolarHBondContact O-CA 3.42Å; L26-R29 PolarHBondContact O-N 3.07Å; N27-R29 PolarHBondContact O-N 3.38Å; R29-A31 VanDerWaalsContact C-N 3.3Å; R29-A31 PolarHBondContact O-N 3.3Å; R29-L32 HydrophobicContact CB-CD2 4.09Å; R29-L32 HydrophobicContact CG-CD2 4.35Å; R29-P48 HydrophobicContact CB-CG 4.31Å; R29-P48 WeakPolarHBondContact O-CD 3.43Å; R29-P48 WeakPolarHBondContact O-CG 3.49Å; R29-E169 IonicContact CZ-OE1 3.92Å; R29-E169 IonicContact NE-OE1 3.94Å; R29-E169 IonicContact NH2-OE1 3.48Å; R29-E169 PolarHBondContact NH2-OE1 3.18Å |
| 30 | L | 86.7 | Confident | 87.4 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 5% | 0.052 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -56.4 | -40.7 | -176.8 | -90 | 164.2 | 0 | 0 | 0 | 113.1 | I25 E28 F47 V56 L64 | I25-L30 HydrophobicContact CG2-CD1 3.55Å; E28-L30 HydrophobicContact CB-CD1 4.11Å; E28-L30 HydrophobicContact CB-CG 4.04Å; E28-L30 PolarHBondContact O-N 3.46Å; E28-L30 VanDerWaalsContact O-N 3.11Å; E28-L30 WeakPolarHBondContact OE2-CD1 3.19Å; L30-F47 WeakPolarHBondContact O-CD1 3.37Å; L30-V56 HydrophobicContact CD2-CG1 3.95Å; L30-V56 HydrophobicContact CD2-CG2 4.01Å; L30-L64 HydrophobicContact CB-CD2 3.74Å |
| 31 | A | 91 | Very high | 87.4 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -150.5 | 147.5 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109 | R29 I45 T46 F47 L64 L65 L68 | R29-A31 VanDerWaalsContact C-N 3.3Å; R29-A31 PolarHBondContact O-N 3.3Å; A31-I45 HydrophobicContact CB-CG2 4.35Å; A31-T46 CarbonylContact C-O 3.56Å; A31-T46 WeakPolarHBondContact CA-O 3.15Å; A31-F47 HydrophobicContact CB-CD1 4Å; A31-F47 HydrophobicContact CB-CD2 4.23Å; A31-F47 HydrophobicContact CB-CE1 3.8Å; A31-F47 HydrophobicContact CB-CE2 4.03Å; A31-F47 HydrophobicContact CB-CG 4.21Å; A31-F47 HydrophobicContact CB-CZ 3.81Å; A31-L64 HydrophobicContact CB-CD2 3.85Å; A31-L65 HydrophobicContact CB-CD2 4.41Å; A31-L68 HydrophobicContact CB-CD1 3.91Å |
| 32 | L | 91.8 | Very high | 87.8 | Confident | 12 Ų | 12 | 42.8 Ų | 42.8 | 6% | 0.063 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 137.5 | -170.7 | -57.1 | 174.6 | 0 | 0 | 0 | 110.1 | R29 T34 I45 T46 P48 Y166 H168 | R29-L32 HydrophobicContact CB-CD2 4.09Å; R29-L32 HydrophobicContact CG-CD2 4.35Å; L32-T34 HydrophobicContact CB-CG2 4.38Å; L32-I45 CarbonylContact O-C 3.59Å; L32-I45 WeakPolarHBondContact O-CA 3.4Å; L32-T46 WeakPolarHBondContact CB-O 3.44Å; L32-T46 PolarHBondContact N-O 3.08Å; L32-T46 PolarHBondContact O-N 3.46Å; L32-P48 HydrophobicContact CD1-CB 4.43Å; L32-P48 HydrophobicContact CD1-CG 3.84Å; L32-P48 HydrophobicContact CG-CG 4.37Å; L32-Y166 HydrophobicContact CD1-CE1 4.15Å; L32-H168 WeakPolarHBondContact CD2-ND1 3.49Å |
| 33 | L | 91.3 | Very high | 88 | Confident | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.01 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 96 | 167.1 | -179.8 | 73.5 | 0 | 0 | 0 | 108 | G35 P43 I45 L68 L71 P72 W171 | L33-G35 VanDerWaalsContact C-N 3.25Å; L33-G35 PolarHBondContact O-N 2.78Å; L33-P43 HydrophobicContact CD1-CB 4.24Å; L33-I45 HydrophobicContact CD1-CG1 3.87Å; L33-L68 HydrophobicContact CB-CD2 4Å; L33-L71 HydrophobicContact CD2-CB 3.72Å; L33-L71 HydrophobicContact CD2-CD1 4.01Å; L33-L71 HydrophobicContact CD2-CG 4.39Å; L33-P72 HydrophobicContact CD2-CG 4.06Å; L33-W171 PolarHBondContact O-NE1 3.22Å |
| 34 | T | 87.2 | Confident | 88.3 | Confident | 3 Ų | 3 | 39 Ų | 39 | 2% | 0.018 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77 | -11.8 | -169.9 | 62.4 | 0 | 0 | 0 | 0 | 113.8 | L32 A36 T157 Y164 Y166 N272 | L32-T34 HydrophobicContact CB-CG2 4.38Å; T34-A36 VanDerWaalsContact C-N 3.28Å; T34-A36 WeakPolarHBondContact OG1-CB 3.34Å; T34-A36 PolarHBondContact OG1-N 3.11Å; T34-T157 HydrophobicContact CG2-CG2 3.88Å; T34-Y164 VanDerWaalsContact O-CE1 3.27Å; T34-Y164 WeakPolarHBondContact O-CE1 3.35Å; T34-Y164 PolarHBondContact O-OH 3.11Å; T34-Y166 HydrophobicContact CG2-CD1 3.92Å; T34-Y166 HydrophobicContact CG2-CD2 4.1Å; T34-Y166 HydrophobicContact CG2-CE1 3.98Å; T34-Y166 HydrophobicContact CG2-CE2 4.17Å; T34-Y166 HydrophobicContact CG2-CG 3.97Å; T34-N272 PolarHBondContact O-ND2 3.3Å |
| 35 | G | 85.7 | Confident | 88.7 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 90.5 | -17.1 | -168.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L33 R37 Y164 N272 P273 | L33-G35 VanDerWaalsContact C-N 3.25Å; L33-G35 PolarHBondContact O-N 2.78Å; G35-R37 PolarHBondContact O-NH1 3.14Å; G35-Y164 WeakPolarHBondContact CA-OH 3.4Å; G35-N272 WeakPolarHBondContact CA-ND2 3.46Å; G35-N272 WeakPolarHBondContact CA-OD1 3.45Å; G35-N272 PolarHBondContact N-ND2 2.82Å; G35-P273 WeakPolarHBondContact O-CG 3.46Å |
| 36 | A | 89.9 | Confident | 89 | Confident | 2 Ų | 2 | 34 Ų | 34 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -54.8 | 146.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | T34 V44 Q155 Y164 | T34-A36 VanDerWaalsContact C-N 3.28Å; T34-A36 WeakPolarHBondContact OG1-CB 3.34Å; T34-A36 PolarHBondContact OG1-N 3.11Å; A36-V44 HydrophobicContact CB-CB 4.25Å; A36-V44 HydrophobicContact CB-CG2 4.46Å; A36-V44 PolarHBondContact O-N 3.1Å; A36-Q155 HydrophobicContact CB-CB 4.36Å; A36-Q155 WeakPolarHBondContact CB-O 3.41Å; A36-Y164 PolarHBondContact N-OH 3.12Å |
| 37 | R | 91.2 | Very high | 89.2 | Confident | 32 Ų | 32 | 34.5 Ų | 34.5 | 12% | 0.121 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 145.6 | 175.8 | -59.2 | -52.6 | -161.1 | -116.1 | 13.3 | 111.6 | G35 G41 R42 S76 Q155 D274 | G35-R37 PolarHBondContact O-NH1 3.14Å; R37-G41 WeakPolarHBondContact CD-O 3.39Å; R37-R42 CarbonylContact C-O 3.44Å; R37-R42 VanDerWaalsContact CA-O 3.23Å; R37-R42 WeakPolarHBondContact CA-O 3.2Å; R37-S76 PolarHBondContact NH2-OG 3.46Å; R37-Q155 WeakPolarHBondContact O-CB 3.31Å; R37-Q155 WeakPolarHBondContact O-CG 3.09Å; R37-D274 IonicContact CZ-OD1 2.66Å; R37-D274 IonicContact CZ-OD2 3.62Å; R37-D274 IonicContact NH1-OD1 3.1Å; R37-D274 PolarHBondContact NH1-OD1 3.03Å; R37-D274 IonicContact NH1-OD2 2.69Å; R37-D274 PolarHBondContact NH1-OD2 2.63Å; R37-D274 IonicContact NH2-OD1 3.67Å; R37-D274 PolarHBondContact NH2-OD1 3.23Å; R37-D274 IonicContact NH2-OD2 3.52Å |
| 38 | D | 89.9 | Confident | 89.3 | Confident | 11 Ų | 11 | 31.7 Ų | 31.7 | 6% | 0.059 | 15% | 0.145 | C | C | . | . | trans | -71.1 | 175.8 | 169.3 | 81.4 | -11.9 | 0 | 0 | 0 | 111.4 | F40 G41 R42 V44 V82 I151 | D38-F40 PolarHBondContact O-N 3.43Å; D38-F40 VanDerWaalsContact OD1-CA 3.23Å; D38-F40 WeakPolarHBondContact OD1-CA 3.2Å; D38-F40 WeakPolarHBondContact OD1-CB 3.4Å; D38-F40 PolarHBondContact OD1-N 3.48Å; D38-F40 WeakPolarHBondContact OD2-CD2 3.14Å; D38-G41 PolarHBondContact O-N 3.13Å; D38-G41 PolarHBondContact OD1-N 3.3Å; D38-R42 PolarHBondContact N-O 2.89Å; D38-R42 WeakPolarHBondContact OD1-CB 3.43Å; D38-R42 WeakPolarHBondContact OD1-CG 3.48Å; D38-R42 PolarHBondContact OD1-N 3.03Å; D38-R42 WeakPolarHBondContact OD2-CD 3.39Å; D38-R42 IonicContact OD2-CZ 3.58Å; D38-R42 IonicContact OD2-NH1 2.68Å; D38-R42 PolarHBondContact OD2-NH1 3.11Å; D38-V44 HydrophobicContact CB-CG2 4.36Å; D38-V82 HydrophobicContact CB-CG2 4.19Å; D38-V82 WeakPolarHBondContact OD2-CG2 3.46Å; D38-I151 HydrophobicContact CB-CG1 4.22Å | ||
| 39 | R | 86.7 | Confident | 89.1 | Confident | 124 Ų | 124 | 30.1 Ų | 30.1 | 47% | 0.468 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -3.5 | 175.9 | -70.5 | -173.8 | -177.8 | -66.6 | -5.3 | 114.7 | H148 K149 Y150 D152 | R39-H148 PolarHBondContact NH2-O 3.47Å; R39-K149 PolarHBondContact NE-O 3.21Å; R39-Y150 WeakPolarHBondContact CG-O 3.29Å; R39-Y150 PolarHBondContact N-O 3.45Å; R39-D152 IonicContact CZ-OD2 3.89Å; R39-D152 IonicContact NH1-OD2 3.63Å; R39-D152 PolarHBondContact NH1-OD2 2.78Å; R39-D152 IonicContact NH2-OD2 2.77Å; R39-D152 PolarHBondContact NH2-OD2 3.43Å |
| 40 | F | 84.4 | Confident | 88.6 | Confident | 145 Ų | 145 | 28 Ų | 28 | 64% | 0.636 | 13% | 0.131 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114 | 7 | 177.3 | -54.2 | -87.9 | 0 | 0 | 0 | 112.8 | D38 R42 | D38-F40 PolarHBondContact O-N 3.43Å; D38-F40 VanDerWaalsContact OD1-CA 3.23Å; D38-F40 WeakPolarHBondContact OD1-CA 3.2Å; D38-F40 WeakPolarHBondContact OD1-CB 3.4Å; D38-F40 PolarHBondContact OD1-N 3.48Å; D38-F40 WeakPolarHBondContact OD2-CD2 3.14Å; F40-R42 HydrophobicContact CB-CG 4.44Å |
| 41 | G | 84.8 | Confident | 87.7 | Confident | 32 Ų | 32 | 36.3 Ų | 36.3 | 33% | 0.33 | 17% | 0.17 | S | C | . | . | S | Bend | trans | 84.9 | 5.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | R37 D38 | R37-G41 WeakPolarHBondContact CD-O 3.39Å; D38-G41 PolarHBondContact O-N 3.13Å; D38-G41 PolarHBondContact OD1-N 3.3Å |
| 42 | R | 91.1 | Very high | 86.6 | Confident | 58 Ų | 58 | 43.5 Ų | 43.5 | 22% | 0.219 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -78.3 | 140.5 | -175.8 | -60 | -174.8 | -173.9 | 104.9 | -4.1 | 112.6 | R37 D38 F40 V44 L79 G80 V82 L112 | R37-R42 CarbonylContact C-O 3.44Å; R37-R42 VanDerWaalsContact CA-O 3.23Å; R37-R42 WeakPolarHBondContact CA-O 3.2Å; D38-R42 PolarHBondContact N-O 2.89Å; D38-R42 WeakPolarHBondContact OD1-CB 3.43Å; D38-R42 WeakPolarHBondContact OD1-CG 3.48Å; D38-R42 PolarHBondContact OD1-N 3.03Å; D38-R42 WeakPolarHBondContact OD2-CD 3.39Å; D38-R42 IonicContact OD2-CZ 3.58Å; D38-R42 IonicContact OD2-NH1 2.68Å; D38-R42 PolarHBondContact OD2-NH1 3.11Å; F40-R42 HydrophobicContact CB-CG 4.44Å; R42-V44 PolarHBondContact O-N 3.1Å; R42-L79 WeakPolarHBondContact CD-O 3.4Å; R42-L79 HydrophobicContact CG-CB 4.02Å; R42-L79 PolarHBondContact NE-O 3.29Å; R42-L79 VanDerWaalsContact NE-O 3.08Å; R42-G80 WeakPolarHBondContact CB-O 3.38Å; R42-V82 HydrophobicContact CB-CG2 4.21Å; R42-L112 VanDerWaalsContact NE-CD1 3.3Å |
| 43 | P | 93.3 | Very high | 85.4 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -58.6 | 132.8 | 172.8 | -23 | 33.8 | 0 | 0 | 0 | 112.5 | L33 P72 F81 V82 | L33-P43 HydrophobicContact CD1-CB 4.24Å; P43-P72 HydrophobicContact CB-CG 4.11Å; P43-P72 HydrophobicContact CG-CB 4.03Å; P43-P72 HydrophobicContact CG-CG 3.99Å; P43-F81 HydrophobicContact CB-CD1 3.98Å; P43-F81 HydrophobicContact CB-CE1 4.02Å; P43-F81 HydrophobicContact CG-CE1 4.36Å; P43-V82 PolarHBondContact O-N 2.8Å |
| 44 | V | 92.6 | Very high | 84.3 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 123.3 | 177.3 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | A36 D38 R42 V82 L84 I151 | A36-V44 HydrophobicContact CB-CB 4.25Å; A36-V44 HydrophobicContact CB-CG2 4.46Å; A36-V44 PolarHBondContact O-N 3.1Å; D38-V44 HydrophobicContact CB-CG2 4.36Å; R42-V44 PolarHBondContact O-N 3.1Å; V44-V82 WeakPolarHBondContact CA-O 3.4Å; V44-L84 HydrophobicContact CG1-CD1 3.88Å; V44-L84 HydrophobicContact CG1-CG 3.78Å; V44-I151 HydrophobicContact CG1-CD1 3.92Å; V44-I151 HydrophobicContact CG2-CD1 3.9Å |
| 45 | I | 93.9 | Very high | 83.5 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 126 | 172 | -63.7 | 176.2 | 0 | 0 | 0 | 109 | A31 L32 L33 F47 F69 F81 V82 V83 L84 | A31-I45 HydrophobicContact CB-CG2 4.35Å; L32-I45 CarbonylContact O-C 3.59Å; L32-I45 WeakPolarHBondContact O-CA 3.4Å; L33-I45 HydrophobicContact CD1-CG1 3.87Å; I45-F47 HydrophobicContact CG2-CE2 4.15Å; I45-F69 HydrophobicContact CD1-CD2 3.55Å; I45-F69 HydrophobicContact CD1-CE1 4.5Å; I45-F69 HydrophobicContact CD1-CE2 3.28Å; I45-F69 HydrophobicContact CD1-CG 4.29Å; I45-F69 HydrophobicContact CD1-CZ 3.81Å; I45-F81 HydrophobicContact CD1-CD1 3.69Å; I45-F81 HydrophobicContact CD1-CE1 4.03Å; I45-F81 HydrophobicContact CG1-CD1 4.22Å; I45-V82 PolarHBondContact N-O 3.25Å; I45-V83 CarbonylContact O-C 3.28Å; I45-V83 VanDerWaalsContact O-CA 3.26Å; I45-V83 WeakPolarHBondContact O-CA 3.46Å; I45-L84 PolarHBondContact O-N 3.36Å |
| 46 | T | 92.2 | Very high | 82.9 | Confident | 4 Ų | 4 | 62.5 Ų | 62.5 | 3% | 0.025 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.5 | -172.6 | -61.6 | 0 | 0 | 0 | 0 | 111.1 | A31 L32 P48 L84 F160 | A31-T46 CarbonylContact C-O 3.56Å; A31-T46 WeakPolarHBondContact CA-O 3.15Å; L32-T46 WeakPolarHBondContact CB-O 3.44Å; L32-T46 PolarHBondContact N-O 3.08Å; L32-T46 PolarHBondContact O-N 3.46Å; T46-P48 WeakPolarHBondContact O-CD 3.33Å; T46-L84 HydrophobicContact CG2-CB 4.38Å; T46-F160 HydrophobicContact CG2-CD2 4.33Å; T46-F160 HydrophobicContact CG2-CE2 3.37Å; T46-F160 HydrophobicContact CG2-CZ 3.79Å |
| 47 | F | 91.7 | Very high | 82.6 | Confident | 10 Ų | 10 | 66 Ų | 66 | 4% | 0.044 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 101.2 | 166.4 | -67.5 | -111.2 | 0 | 0 | 0 | 107.7 | L30 A31 I45 L61 L65 V83 L84 I85 D86 I99 | L30-F47 WeakPolarHBondContact O-CD1 3.37Å; A31-F47 HydrophobicContact CB-CD1 4Å; A31-F47 HydrophobicContact CB-CD2 4.23Å; A31-F47 HydrophobicContact CB-CE1 3.8Å; A31-F47 HydrophobicContact CB-CE2 4.03Å; A31-F47 HydrophobicContact CB-CG 4.21Å; A31-F47 HydrophobicContact CB-CZ 3.81Å; I45-F47 HydrophobicContact CG2-CE2 4.15Å; F47-L61 HydrophobicContact CE1-CD1 3.72Å; F47-L61 HydrophobicContact CZ-CD1 4.15Å; F47-L65 HydrophobicContact CZ-CD2 3.95Å; F47-V83 HydrophobicContact CD2-CG1 3.63Å; F47-V83 HydrophobicContact CE2-CG1 3.52Å; F47-L84 PolarHBondContact N-O 3.18Å; F47-I85 HydrophobicContact CB-CB 4.3Å; F47-I85 HydrophobicContact CB-CG1 3.93Å; F47-I85 HydrophobicContact CB-CG2 4.33Å; F47-I85 HydrophobicContact CD2-CD1 4.44Å; F47-I85 HydrophobicContact CD2-CG1 3.74Å; F47-I85 HydrophobicContact CE2-CG1 4.47Å; F47-I85 HydrophobicContact CG-CG1 3.94Å; F47-D86 PolarHBondContact O-N 3.43Å; F47-I99 HydrophobicContact CD1-CD1 3.69Å; F47-I99 HydrophobicContact CD1-CG1 4.3Å; F47-I99 HydrophobicContact CD1-CG2 4.16Å; F47-I99 HydrophobicContact CE1-CB 4.3Å; F47-I99 HydrophobicContact CE1-CD1 3.82Å; F47-I99 HydrophobicContact CE1-CG1 3.91Å; F47-I99 HydrophobicContact CE1-CG2 3.43Å; F47-I99 VanDerWaalsContact CE1-CG2 3.43Å; F47-I99 HydrophobicContact CE2-CG2 4.01Å; F47-I99 HydrophobicContact CZ-CG2 3.34Å |
| 48 | P | 87.8 | Confident | 82.2 | Confident | 24 Ų | 24 | 68 Ų | 68 | 16% | 0.156 | 33% | 0.328 | C | S | . | . | trans | -73.1 | 167 | -177.8 | 33.3 | -38.1 | 0 | 0 | 0 | 111.9 | R29 L32 T46 R50 | R29-P48 HydrophobicContact CB-CG 4.31Å; R29-P48 WeakPolarHBondContact O-CD 3.43Å; R29-P48 WeakPolarHBondContact O-CG 3.49Å; L32-P48 HydrophobicContact CD1-CB 4.43Å; L32-P48 HydrophobicContact CD1-CG 3.84Å; L32-P48 HydrophobicContact CG-CG 4.37Å; T46-P48 WeakPolarHBondContact O-CD 3.33Å; P48-R50 PolarHBondContact O-N 3.32Å | ||
| 49 | L | 81.8 | Confident | 81.7 | Confident | 60 Ų | 60 | 72.5 Ų | 72.5 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | trans | -66.9 | 131 | 173.8 | -173.9 | 59.7 | 0 | 0 | 0 | 111 | D86 R88 N89 V91 | L49-D86 HydrophobicContact CB-CB 4.1Å; L49-R88 VanDerWaalsContact CD1-O 3.28Å; L49-R88 WeakPolarHBondContact CD1-O 3.45Å; L49-R88 HydrophobicContact CD2-CB 4.19Å; L49-N89 HydrophobicContact CD1-CB 4.36Å; L49-N89 HydrophobicContact CD2-CB 4.09Å; L49-V91 HydrophobicContact CD1-CG2 3.73Å | ||
| 50 | R | 76.2 | Confident | 81.7 | Confident | 57 Ų | 57 | 69.5 Ų | 69.5 | 22% | 0.215 | 34% | 0.34 | C | S | . | . | trans | -110.7 | 128.7 | 173.5 | -57.4 | -168.3 | -58 | 148 | 8.1 | 109.7 | P48 H52 E54 | P48-R50 PolarHBondContact O-N 3.32Å; R50-H52 PolarHBondContact O-N 3.42Å; R50-E54 PolarHBondContact NH2-O 3.36Å | ||
| 51 | E | 67.6 | Low | 81.9 | Confident | 185 Ų | 185 | 62.6 Ų | 62.6 | 86% | 0.864 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -60.6 | -30.8 | -177.2 | -59 | -169.3 | 146 | 0 | 0 | 113.2 | ||
| 52 | H | 67.7 | Low | 81.9 | Confident | 150 Ų | 150 | 65.5 Ų | 65.5 | 69% | 0.694 | 31% | 0.311 | S | S | * | . | S | Bend | trans | -121.2 | 87.9 | 175.9 | -63.8 | -9.4 | 0 | 0 | 0 | 108.9 | R50 E54 | R50-H52 PolarHBondContact O-N 3.42Å; H52-E54 VanDerWaalsContact C-N 3.25Å; H52-E54 PolarHBondContact O-N 3.23Å |
| 53 | P | 66.3 | Low | 81.8 | Confident | 51 Ų | 51 | 65.7 Ų | 65.7 | 33% | 0.331 | 32% | 0.315 | S | S | . | . | trans | -77 | 76.5 | -177.7 | 31.4 | -35.1 | 0 | 0 | 0 | 110.8 | V91 N95 | P53-V91 HydrophobicContact CB-CG2 4.38Å; P53-N95 PolarHBondContact O-ND2 3.29Å | ||
| 54 | E | 68.6 | Low | 81.6 | Confident | 148 Ų | 148 | 65.7 Ų | 65.7 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | trans | -65.4 | 170.4 | 170.4 | -61.3 | -156.3 | 159.4 | 0 | 0 | 112.1 | R50 H52 V56 | R50-E54 PolarHBondContact NH2-O 3.36Å; H52-E54 VanDerWaalsContact C-N 3.25Å; H52-E54 PolarHBondContact O-N 3.23Å; E54-V56 PolarHBondContact O-N 3.39Å | ||
| 55 | K | 69.4 | Low | 81.5 | Confident | 199 Ų | 199 | 65.6 Ų | 65.6 | 87% | 0.865 | 31% | 0.314 | S | S | * | . | trans | -66 | 105.9 | 170.9 | -82.3 | -179.2 | 176.2 | 173.4 | 0 | 109.1 | N57 | K55-N57 PolarHBondContact O-N 3.28Š| ||
| 56 | V | 74 | Confident | 81.2 | Confident | 18 Ų | 18 | 68.6 Ų | 68.6 | 11% | 0.109 | 33% | 0.33 | C | S | . | . | trans | -51.5 | 124.5 | 172.6 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | L30 E54 V58 L61 | L30-V56 HydrophobicContact CD2-CG1 3.95Å; L30-V56 HydrophobicContact CD2-CG2 4.01Å; E54-V56 PolarHBondContact O-N 3.39Å; V56-V58 PolarHBondContact O-N 3.3Å; V56-L61 HydrophobicContact CG1-CB 3.83Å; V56-L61 HydrophobicContact CG1-CD2 4.03Å; V56-L61 HydrophobicContact CG1-CG 4.39Å | ||
| 57 | N | 82.8 | Confident | 81.1 | Confident | 75 Ų | 75 | 68.7 Ų | 68.7 | 40% | 0.401 | 33% | 0.33 | S | S | . | . | trans | -66 | 122.5 | 172.1 | -176.8 | -2.9 | 0 | 0 | 0 | 108.7 | K55 E59 E60 L61 | K55-N57 PolarHBondContact O-N 3.28Å; N57-E59 VanDerWaalsContact C-N 3.29Å; N57-E59 PolarHBondContact O-N 2.82Å; N57-E59 PolarHBondContact OD1-N 2.9Å; N57-E60 HydrophobicContact CB-CB 4.12Å; N57-E60 HydrophobicContact CB-CG 4.28Å; N57-E60 VanDerWaalsContact CB-OE2 3.26Å; N57-E60 WeakPolarHBondContact CB-OE2 3.48Å; N57-E60 PolarHBondContact ND2-OE1 3.18Å; N57-L61 WeakPolarHBondContact O-CB 3.39Å; N57-L61 PolarHBondContact O-N 2.88Å | ||
| 58 | V | 83 | Confident | 81 | Confident | 75 Ų | 75 | 68.2 Ų | 68.2 | 46% | 0.455 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69.1 | -30.3 | -172.5 | -178 | 0 | 0 | 0 | 0 | 111.4 | V56 R62 P98 | V56-V58 PolarHBondContact O-N 3.3Å; V58-R62 VanDerWaalsContact O-CB 3.24Å; V58-R62 WeakPolarHBondContact O-CB 3.43Å; V58-R62 PolarHBondContact O-N 3.05Å; V58-P98 HydrophobicContact CG2-CB 4.26Å |
| 59 | E | 80.4 | Confident | 81 | Confident | 105 Ų | 105 | 67.3 Ų | 67.3 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -78.1 | -43.9 | 179.7 | -159.8 | 60.9 | -153.6 | 0 | 0 | 111.5 | N57 L61 R62 M63 | N57-E59 VanDerWaalsContact C-N 3.29Å; N57-E59 PolarHBondContact O-N 2.82Å; N57-E59 PolarHBondContact OD1-N 2.9Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 PolarHBondContact O-N 3.22Å; E59-R62 WeakPolarHBondContact O-CA 3.21Å; E59-R62 WeakPolarHBondContact O-CB 3.45Å; E59-R62 PolarHBondContact O-N 3.27Å; E59-R62 VanDerWaalsContact O-N 3.08Å; E59-R62 WeakPolarHBondContact OE1-CD 3.43Å; E59-R62 IonicContact OE1-NE 3.16Å; E59-M63 VanDerWaalsContact O-CG 3.3Å; E59-M63 WeakPolarHBondContact O-CG 3.48Å; E59-M63 PolarHBondContact O-N 3.18Å |
| 60 | E | 86 | Confident | 81.1 | Confident | 61 Ų | 61 | 66.4 Ų | 66.4 | 29% | 0.285 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 172.8 | -76.3 | 154.8 | -152 | 0 | 0 | 111.4 | I25 N57 R62 M63 L64 | I25-E60 HydrophobicContact CD1-CB 3.98Å; I25-E60 HydrophobicContact CD1-CG 4.18Å; I25-E60 WeakPolarHBondContact CD1-O 3.32Å; I25-E60 HydrophobicContact CG1-CB 4.34Å; I25-E60 HydrophobicContact CG1-CG 4.39Å; I25-E60 HydrophobicContact CG2-CB 4.02Å; N57-E60 HydrophobicContact CB-CB 4.12Å; N57-E60 HydrophobicContact CB-CG 4.28Å; N57-E60 VanDerWaalsContact CB-OE2 3.26Å; N57-E60 WeakPolarHBondContact CB-OE2 3.48Å; N57-E60 PolarHBondContact ND2-OE1 3.18Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 3.38Å; E60-M63 PolarHBondContact O-N 3.09Å; E60-L64 WeakPolarHBondContact O-CB 3.37Å; E60-L64 PolarHBondContact O-N 3.34Å |
| 61 | L | 88.3 | Confident | 81.6 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -40.2 | 173.8 | 179.5 | 63.4 | 0 | 0 | 0 | 112 | F47 V56 N57 E59 M63 L64 L65 I99 C102 | F47-L61 HydrophobicContact CE1-CD1 3.72Å; F47-L61 HydrophobicContact CZ-CD1 4.15Å; V56-L61 HydrophobicContact CG1-CB 3.83Å; V56-L61 HydrophobicContact CG1-CD2 4.03Å; V56-L61 HydrophobicContact CG1-CG 4.39Å; N57-L61 WeakPolarHBondContact O-CB 3.39Å; N57-L61 PolarHBondContact O-N 2.88Å; E59-L61 VanDerWaalsContact C-N 3.33Å; E59-L61 PolarHBondContact O-N 3.22Å; L61-M63 VanDerWaalsContact C-N 3.35Å; L61-M63 PolarHBondContact O-N 3.31Å; L61-L64 PolarHBondContact O-N 3.23Å; L61-L65 HydrophobicContact CD1-CD1 3.87Å; L61-L65 HydrophobicContact CD1-CD2 4.39Å; L61-L65 HydrophobicContact CD1-CG 3.86Å; L61-L65 HydrophobicContact CD2-CD1 4.37Å; L61-L65 HydrophobicContact CG-CD1 3.84Å; L61-L65 HydrophobicContact CG-CG 4.22Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 VanDerWaalsContact O-CG 3.28Å; L61-L65 WeakPolarHBondContact O-CG 3.11Å; L61-L65 PolarHBondContact O-N 3.39Å; L61-I99 HydrophobicContact CD2-CB 4.19Å; L61-I99 HydrophobicContact CD2-CG1 3.82Å; L61-I99 HydrophobicContact CD2-CG2 4.44Å; L61-C102 HydrophobicContact CD2-CB 3.8Å; L61-C102 HydrophobicContact CG-CB 4.26Å |
| 62 | R | 86.2 | Confident | 82.5 | Confident | 93 Ų | 93 | 56 Ų | 56 | 35% | 0.351 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -60.9 | -44 | 176.4 | 167.7 | 175.7 | 178.5 | 85.1 | 7.3 | 111.5 | V58 E59 E60 L66 C102 I106 | V58-R62 VanDerWaalsContact O-CB 3.24Å; V58-R62 WeakPolarHBondContact O-CB 3.43Å; V58-R62 PolarHBondContact O-N 3.05Å; E59-R62 WeakPolarHBondContact O-CA 3.21Å; E59-R62 WeakPolarHBondContact O-CB 3.45Å; E59-R62 PolarHBondContact O-N 3.27Å; E59-R62 VanDerWaalsContact O-N 3.08Å; E59-R62 WeakPolarHBondContact OE1-CD 3.43Å; E59-R62 IonicContact OE1-NE 3.16Å; E60-R62 VanDerWaalsContact C-N 3.31Å; E60-R62 PolarHBondContact O-N 3.38Å; R62-L66 HydrophobicContact CG-CD1 3.97Å; R62-L66 WeakPolarHBondContact O-CB 3.37Å; R62-L66 VanDerWaalsContact O-CG 3.27Å; R62-L66 WeakPolarHBondContact O-CG 3.17Å; R62-L66 PolarHBondContact O-N 3.32Å; R62-C102 VanDerWaalsContact CA-SG 3.58Å; R62-I106 HydrophobicContact CB-CD1 3.99Å; R62-I106 HydrophobicContact CG-CD1 3.81Å; R62-I106 HydrophobicContact CG-CG1 4.34Å |
| 63 | M | 87.6 | Confident | 83 | Confident | 63 Ų | 63 | 49.5 Ų | 49.5 | 31% | 0.31 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -68.1 | -41.6 | 177.7 | -61 | -54.9 | -85.4 | 0 | 0 | 111.7 | L17 V22 I25 E59 E60 L61 L66 Y67 | L17-M63 HydrophobicContact CD1-CB 4.25Å; L17-M63 HydrophobicContact CD1-CE 3.77Å; L17-M63 WeakPolarHBondContact CD1-O 3.28Å; L17-M63 HydrophobicContact CD1-SD 4.27Å; L17-M63 HydrophobicContact CD2-CE 3.54Å; L17-M63 HydrophobicContact CG-CE 4.11Å; V22-M63 HydrophobicContact CG1-CB 4.21Å; I25-M63 HydrophobicContact CD1-CB 4.23Å; E59-M63 VanDerWaalsContact O-CG 3.3Å; E59-M63 WeakPolarHBondContact O-CG 3.48Å; E59-M63 PolarHBondContact O-N 3.18Å; E60-M63 PolarHBondContact O-N 3.09Å; L61-M63 VanDerWaalsContact C-N 3.35Å; L61-M63 PolarHBondContact O-N 3.31Å; M63-L66 PolarHBondContact O-N 3.47Å; M63-L66 HydrophobicContact SD-CD1 4.25Å; M63-Y67 WeakPolarHBondContact O-CB 3.47Å; M63-Y67 PolarHBondContact O-N 3.33Å |
| 64 | L | 90.1 | Very high | 83.5 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -61.6 | -45.3 | 174.5 | 178 | 62.3 | 0 | 0 | 0 | 112.1 | I25 L26 L30 A31 E60 L61 Y67 L68 | I25-L64 HydrophobicContact CB-CB 4.47Å; I25-L64 HydrophobicContact CG2-CB 3.94Å; I25-L64 HydrophobicContact CG2-CD2 4.02Å; I25-L64 HydrophobicContact CG2-CG 4.46Å; L26-L64 HydrophobicContact CD2-CD1 3.51Å; L26-L64 HydrophobicContact CG-CD1 3.95Å; L30-L64 HydrophobicContact CB-CD2 3.74Å; A31-L64 HydrophobicContact CB-CD2 3.85Å; E60-L64 WeakPolarHBondContact O-CB 3.37Å; E60-L64 PolarHBondContact O-N 3.34Å; L61-L64 PolarHBondContact O-N 3.23Å; L64-Y67 PolarHBondContact O-N 3.15Å; L64-L68 HydrophobicContact CD1-CD1 3.87Å; L64-L68 HydrophobicContact CD1-CD2 4.45Å; L64-L68 HydrophobicContact CD1-CG 3.9Å; L64-L68 HydrophobicContact CD2-CD1 4.49Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.29Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 3.29Å |
| 65 | L | 89.8 | Confident | 83.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 179.4 | -66.9 | 175.5 | 0 | 0 | 0 | 112.1 | A31 F47 L61 Y67 L68 F69 C102 L103 I106 F107 | A31-L65 HydrophobicContact CB-CD2 4.41Å; F47-L65 HydrophobicContact CZ-CD2 3.95Å; L61-L65 HydrophobicContact CD1-CD1 3.87Å; L61-L65 HydrophobicContact CD1-CD2 4.39Å; L61-L65 HydrophobicContact CD1-CG 3.86Å; L61-L65 HydrophobicContact CD2-CD1 4.37Å; L61-L65 HydrophobicContact CG-CD1 3.84Å; L61-L65 HydrophobicContact CG-CG 4.22Å; L61-L65 WeakPolarHBondContact O-CB 3.4Å; L61-L65 VanDerWaalsContact O-CG 3.28Å; L61-L65 WeakPolarHBondContact O-CG 3.11Å; L61-L65 PolarHBondContact O-N 3.39Å; L65-Y67 PolarHBondContact O-N 3.07Å; L65-L68 PolarHBondContact O-N 3.03Å; L65-F69 HydrophobicContact CB-CD2 4.44Å; L65-F69 HydrophobicContact CD2-CE2 4.08Å; L65-F69 WeakPolarHBondContact O-CB 3.2Å; L65-F69 VanDerWaalsContact O-CD2 3.3Å; L65-F69 WeakPolarHBondContact O-CD2 2.97Å; L65-F69 PolarHBondContact O-N 3.43Å; L65-C102 HydrophobicContact CD1-CB 4.04Å; L65-L103 HydrophobicContact CD1-CD2 3.91Å; L65-L103 HydrophobicContact CD1-CG 4.32Å; L65-L103 HydrophobicContact CD2-CD2 4.29Å; L65-I106 HydrophobicContact CB-CD1 4.22Å; L65-F107 HydrophobicContact CB-CE2 4.33Å |
| 66 | L | 86.9 | Confident | 84.5 | Confident | 62 Ų | 62 | 42.9 Ų | 42.9 | 33% | 0.325 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -57 | -39.8 | 171.8 | -80.3 | 167 | 0 | 0 | 0 | 112 | L17 R62 M63 I106 F107 | L17-L66 HydrophobicContact CD1-CB 4.16Å; R62-L66 HydrophobicContact CG-CD1 3.97Å; R62-L66 WeakPolarHBondContact O-CB 3.37Å; R62-L66 VanDerWaalsContact O-CG 3.27Å; R62-L66 WeakPolarHBondContact O-CG 3.17Å; R62-L66 PolarHBondContact O-N 3.32Å; M63-L66 PolarHBondContact O-N 3.47Å; M63-L66 HydrophobicContact SD-CD1 4.25Å; L66-I106 HydrophobicContact CD2-CG2 3.54Å; L66-I106 HydrophobicContact CG-CG2 3.97Å; L66-F107 HydrophobicContact CD2-CZ 4.28Å |
| 67 | Y | 89.9 | Confident | 84.8 | Confident | 6 Ų | 6 | 43.8 Ų | 43.8 | 2% | 0.024 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.8 | -54.7 | 174.5 | 172.7 | -101.7 | 0 | 0 | 0 | 112.4 | L17 A19 V22 L26 M63 L64 L65 F69 A70 L71 W171 R175 E179 | L17-Y67 HydrophobicContact CB-CD2 4.29Å; A19-Y67 HydrophobicContact CB-CE2 4.46Å; A19-Y67 WeakPolarHBondContact CB-OH 3.39Å; V22-Y67 HydrophobicContact CG2-CD1 3.65Å; V22-Y67 HydrophobicContact CG2-CD2 4.24Å; V22-Y67 HydrophobicContact CG2-CE1 4.12Å; V22-Y67 HydrophobicContact CG2-CG 3.72Å; L26-Y67 HydrophobicContact CD1-CE1 3.97Å; L26-Y67 HydrophobicContact CD2-CE1 4.47Å; M63-Y67 WeakPolarHBondContact O-CB 3.47Å; M63-Y67 PolarHBondContact O-N 3.33Å; L64-Y67 PolarHBondContact O-N 3.15Å; L65-Y67 PolarHBondContact O-N 3.07Å; Y67-F69 PolarHBondContact O-N 3.01Å; Y67-A70 WeakPolarHBondContact O-CB 3.44Å; Y67-A70 PolarHBondContact O-N 2.82Å; Y67-A70 VanDerWaalsContact O-N 3.09Å; Y67-L71 HydrophobicContact CD1-CD1 4.45Å; Y67-L71 HydrophobicContact CD2-CD2 4.43Å; Y67-L71 HydrophobicContact CE1-CD1 3.85Å; Y67-L71 HydrophobicContact CE1-CD2 4.29Å; Y67-L71 HydrophobicContact CE1-CG 4.46Å; Y67-L71 HydrophobicContact CE2-CD2 3.89Å; Y67-L71 WeakPolarHBondContact O-CG 3.49Å; Y67-W171 HydrophobicContact CE1-CH2 4.35Å; Y67-R175 WeakPolarHBondContact OH-CG 3.35Å; Y67-R175 PolarHBondContact OH-NE 2.89Å; Y67-E179 WeakPolarHBondContact CE2-OE1 3.45Å; Y67-E179 PolarHBondContact OH-OE1 3.48Å; Y67-E179 VanDerWaalsContact OH-OE1 3.05Å |
| 68 | L | 89.9 | Confident | 84.8 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62 | -41.4 | -174.1 | -70.9 | 179 | 0 | 0 | 0 | 113.4 | L26 A31 L33 L64 L65 A70 L71 W171 | L26-L68 HydrophobicContact CD2-CD2 4.26Å; A31-L68 HydrophobicContact CB-CD1 3.91Å; L33-L68 HydrophobicContact CB-CD2 4Å; L64-L68 HydrophobicContact CD1-CD1 3.87Å; L64-L68 HydrophobicContact CD1-CD2 4.45Å; L64-L68 HydrophobicContact CD1-CG 3.9Å; L64-L68 HydrophobicContact CD2-CD1 4.49Å; L64-L68 HydrophobicContact CG-CD1 3.91Å; L64-L68 HydrophobicContact CG-CG 4.29Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 WeakPolarHBondContact O-CG 3.32Å; L64-L68 PolarHBondContact O-N 3.29Å; L65-L68 PolarHBondContact O-N 3.03Å; L68-A70 PolarHBondContact O-N 3.34Å; L68-L71 HydrophobicContact CD2-CD1 4.01Å; L68-L71 PolarHBondContact O-N 3.45Å; L68-W171 HydrophobicContact CD2-CH2 4.24Å |
| 69 | F | 88 | Confident | 85 | Confident | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.018 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -67.5 | -21.2 | 177.8 | -84.8 | -112.1 | 0 | 0 | 0 | 112.9 | I45 L65 Y67 L71 K77 F81 L103 F107 V111 | I45-F69 HydrophobicContact CD1-CD2 3.55Å; I45-F69 HydrophobicContact CD1-CE1 4.5Å; I45-F69 HydrophobicContact CD1-CE2 3.28Å; I45-F69 HydrophobicContact CD1-CG 4.29Å; I45-F69 HydrophobicContact CD1-CZ 3.81Å; L65-F69 HydrophobicContact CB-CD2 4.44Å; L65-F69 HydrophobicContact CD2-CE2 4.08Å; L65-F69 WeakPolarHBondContact O-CB 3.2Å; L65-F69 VanDerWaalsContact O-CD2 3.3Å; L65-F69 WeakPolarHBondContact O-CD2 2.97Å; L65-F69 PolarHBondContact O-N 3.43Å; Y67-F69 PolarHBondContact O-N 3.01Å; F69-L71 VanDerWaalsContact C-N 3.31Å; F69-K77 WeakPolarHBondContact O-CE 3.28Å; F69-F81 HydrophobicContact CB-CZ 4.22Å; F69-F81 HydrophobicContact CD1-CD1 4.07Å; F69-F81 AromaticContact CD1-CD2 3.63Å; F69-F81 HydrophobicContact CD1-CD2 3.63Å; F69-F81 AromaticContact CD1-CE1 3.97Å; F69-F81 HydrophobicContact CD1-CE1 3.97Å; F69-F81 AromaticContact CD1-CE2 3.53Å; F69-F81 HydrophobicContact CD1-CE2 3.53Å; F69-F81 AromaticContact CD1-CG 3.9Å; F69-F81 HydrophobicContact CD1-CG 3.9Å; F69-F81 AromaticContact CD1-CZ 3.7Å; F69-F81 HydrophobicContact CD1-CZ 3.7Å; F69-F81 HydrophobicContact CE1-CB 3.94Å; F69-F81 AromaticContact CE1-CD1 3.99Å; F69-F81 HydrophobicContact CE1-CD1 3.99Å; F69-F81 AromaticContact CE1-CD2 3.59Å; F69-F81 HydrophobicContact CE1-CD2 3.59Å; F69-F81 HydrophobicContact CE1-CE1 4.37Å; F69-F81 HydrophobicContact CE1-CE2 4.02Å; F69-F81 AromaticContact CE1-CG 3.57Å; F69-F81 HydrophobicContact CE1-CG 3.57Å; F69-F81 HydrophobicContact CE1-CZ 4.38Å; F69-F81 HydrophobicContact CG-CE1 4.22Å; F69-F81 HydrophobicContact CG-CE2 4.39Å; F69-F81 HydrophobicContact CG-CZ 4.12Å; F69-F81 HydrophobicContact CZ-CB 4.34Å; F69-F81 HydrophobicContact CZ-CD1 4.43Å; F69-F81 HydrophobicContact CZ-CG 4.25Å; F69-L103 HydrophobicContact CE2-CD2 4.09Å; F69-L103 HydrophobicContact CZ-CD2 4Å; F69-F107 HydrophobicContact CB-CD1 4.46Å; F69-F107 HydrophobicContact CB-CD2 4.3Å; F69-F107 HydrophobicContact CB-CE1 3.78Å; F69-F107 HydrophobicContact CB-CE2 3.58Å; F69-F107 HydrophobicContact CB-CZ 3.29Å; F69-F107 HydrophobicContact CD1-CB 4.29Å; F69-F107 AromaticContact CD1-CD1 3.84Å; F69-F107 HydrophobicContact CD1-CD1 3.84Å; F69-F107 AromaticContact CD1-CD2 3.56Å; F69-F107 HydrophobicContact CD1-CD2 3.56Å; F69-F107 HydrophobicContact CD1-CE1 4.03Å; F69-F107 AromaticContact CD1-CE2 3.75Å; F69-F107 HydrophobicContact CD1-CE2 3.75Å; F69-F107 AromaticContact CD1-CG 3.62Å; F69-F107 HydrophobicContact CD1-CG 3.62Å; F69-F107 AromaticContact CD1-CZ 3.99Å; F69-F107 HydrophobicContact CD1-CZ 3.99Å; F69-F107 AromaticContact CD2-CD2 3.75Å; F69-F107 HydrophobicContact CD2-CD2 3.75Å; F69-F107 AromaticContact CD2-CE2 3.45Å; F69-F107 HydrophobicContact CD2-CE2 3.45Å; F69-F107 VanDerWaalsContact CD2-CE2 3.45Å; F69-F107 HydrophobicContact CD2-CZ 4.13Å; F69-F107 HydrophobicContact CE1-CB 3.96Å; F69-F107 HydrophobicContact CE1-CD1 4.38Å; F69-F107 AromaticContact CE1-CD2 3.67Å; F69-F107 HydrophobicContact CE1-CD2 3.67Å; F69-F107 HydrophobicContact CE1-CE2 4.27Å; F69-F107 AromaticContact CE1-CG 3.74Å; F69-F107 HydrophobicContact CE1-CG 3.74Å; F69-F107 AromaticContact CE2-CD2 3.84Å; F69-F107 HydrophobicContact CE2-CD2 3.84Å; F69-F107 AromaticContact CE2-CE2 4Å; F69-F107 HydrophobicContact CE2-CE2 4Å; F69-F107 HydrophobicContact CG-CD1 4.28Å; F69-F107 AromaticContact CG-CD2 3.61Å; F69-F107 HydrophobicContact CG-CD2 3.61Å; F69-F107 HydrophobicContact CG-CE1 4.04Å; F69-F107 AromaticContact CG-CE2 3.3Å; F69-F107 HydrophobicContact CG-CE2 3.3Å; F69-F107 HydrophobicContact CG-CG 4.09Å; F69-F107 AromaticContact CG-CZ 3.56Å; F69-F107 HydrophobicContact CG-CZ 3.56Å; F69-F107 AromaticContact CZ-CD2 3.81Å; F69-F107 HydrophobicContact CZ-CD2 3.81Å; F69-F107 HydrophobicContact CZ-CE2 4.38Å; F69-F107 HydrophobicContact CZ-CG 4.3Å; F69-V111 HydrophobicContact CE1-CG2 3.85Å; F69-V111 HydrophobicContact CZ-CG2 3.64Å |
| 70 | A | 83.8 | Confident | 85.4 | Confident | 42 Ų | 42 | 39.3 Ų | 39.3 | 35% | 0.347 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -75.8 | -19.2 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y67 L68 K77 | Y67-A70 WeakPolarHBondContact O-CB 3.44Å; Y67-A70 PolarHBondContact O-N 2.82Å; Y67-A70 VanDerWaalsContact O-N 3.09Å; L68-A70 PolarHBondContact O-N 3.34Å; A70-K77 WeakPolarHBondContact O-CE 3.4Å; A70-K77 PolarHBondContact O-NZ 3.38Å |
| 71 | L | 87.5 | Confident | 85.8 | Confident | 20 Ų | 20 | 36.4 Ų | 36.4 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -72.8 | -43.1 | -167.5 | -56.3 | -174.8 | 0 | 0 | 0 | 116.4 | L33 Y67 L68 F69 W171 | L33-L71 HydrophobicContact CD2-CB 3.72Å; L33-L71 HydrophobicContact CD2-CD1 4.01Å; L33-L71 HydrophobicContact CD2-CG 4.39Å; Y67-L71 HydrophobicContact CD1-CD1 4.45Å; Y67-L71 HydrophobicContact CD2-CD2 4.43Å; Y67-L71 HydrophobicContact CE1-CD1 3.85Å; Y67-L71 HydrophobicContact CE1-CD2 4.29Å; Y67-L71 HydrophobicContact CE1-CG 4.46Å; Y67-L71 HydrophobicContact CE2-CD2 3.89Å; Y67-L71 WeakPolarHBondContact O-CG 3.49Å; L68-L71 HydrophobicContact CD2-CD1 4.01Å; L68-L71 PolarHBondContact O-N 3.45Å; F69-L71 VanDerWaalsContact C-N 3.31Å; L71-W171 HydrophobicContact CD1-CH2 3.88Å; L71-W171 HydrophobicContact CD1-CZ2 3.77Å |
| 72 | P | 86.7 | Confident | 86 | Confident | 2 Ų | 2 | 36.4 Ų | 36.4 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -63.7 | 161.8 | -177.4 | -23.4 | 34.9 | 0 | 0 | 0 | 112.9 | L33 P43 K77 F81 D274 | L33-P72 HydrophobicContact CD2-CG 4.06Å; P43-P72 HydrophobicContact CB-CG 4.11Å; P43-P72 HydrophobicContact CG-CB 4.03Å; P43-P72 HydrophobicContact CG-CG 3.99Å; P72-K77 HydrophobicContact CB-CG 4.35Å; P72-K77 PolarHBondContact O-NZ 3.03Å; P72-F81 HydrophobicContact CG-CE1 3.93Å; P72-F81 HydrophobicContact CG-CZ 4.09Å; P72-D274 WeakPolarHBondContact CA-OD1 3.33Å |
| 73 | S | 78.1 | Confident | 86.4 | Confident | 14 Ų | 14 | 32 Ų | 32 | 10% | 0.098 | 19% | 0.187 | C | C | . | . | trans | -57.1 | 150 | 168.6 | 63.4 | 0 | 0 | 0 | 0 | 111.2 | E75 S76 K77 | S73-E75 PolarHBondContact O-N 3.46Å; S73-S76 CarbonylContact O-C 3.18Å; S73-S76 WeakPolarHBondContact O-CA 3.35Å; S73-S76 WeakPolarHBondContact O-CB 3.36Å; S73-S76 PolarHBondContact O-N 3.29Å; S73-S76 WeakPolarHBondContact OG-CB 3.07Å; S73-S76 PolarHBondContact OG-N 3.27Å; S73-S76 PolarHBondContact OG-OG 3.18Å; S73-K77 WeakPolarHBondContact O-CG 3.46Å; S73-K77 PolarHBondContact O-N 3.36Å | ||
| 74 | D | 76.6 | Confident | 86.6 | Confident | 78 Ų | 78 | 29.1 Ų | 29.1 | 42% | 0.417 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -67.2 | -24.3 | -177.9 | -63.4 | -36.1 | 0 | 0 | 0 | 112.2 | K77 G78 | D74-K77 PolarHBondContact O-N 3.49Å; D74-K77 WeakPolarHBondContact OD1-CD 3.46Å; D74-K77 IonicContact OD1-NZ 3.51Å; D74-K77 PolarHBondContact OD1-NZ 3.41Å; D74-G78 PolarHBondContact O-N 3.38Å |
| 75 | E | 75.7 | Confident | 86.7 | Confident | 165 Ų | 165 | 29.3 Ų | 29.3 | 77% | 0.771 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -60.1 | -47.7 | 164.9 | -59.8 | -179.5 | 149 | 0 | 0 | 111.7 | S73 G78 | S73-E75 PolarHBondContact O-N 3.46Å; E75-G78 PolarHBondContact O-N 3.27Å |
| 76 | S | 82.1 | Confident | 86.6 | Confident | 16 Ų | 16 | 29.7 Ų | 29.7 | 11% | 0.112 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -66 | -38.7 | 176.1 | -65.8 | 0 | 0 | 0 | 0 | 112.4 | R37 S73 G78 L79 | R37-S76 PolarHBondContact NH2-OG 3.46Å; S73-S76 CarbonylContact O-C 3.18Å; S73-S76 WeakPolarHBondContact O-CA 3.35Å; S73-S76 WeakPolarHBondContact O-CB 3.36Å; S73-S76 PolarHBondContact O-N 3.29Å; S73-S76 WeakPolarHBondContact OG-CB 3.07Å; S73-S76 PolarHBondContact OG-N 3.27Å; S73-S76 PolarHBondContact OG-OG 3.18Å; S76-G78 VanDerWaalsContact C-N 3.27Å; S76-G78 PolarHBondContact O-N 3.27Å; S76-L79 PolarHBondContact O-N 3.4Å |
| 77 | K | 80.8 | Confident | 86.4 | Confident | 37 Ų | 37 | 27.1 Ų | 27.1 | 16% | 0.161 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.4 | -36.4 | 174.2 | -63.2 | -169.8 | -176.1 | 82.4 | 0 | 111.7 | F69 A70 P72 S73 D74 L79 G80 F81 | F69-K77 WeakPolarHBondContact O-CE 3.28Å; A70-K77 WeakPolarHBondContact O-CE 3.4Å; A70-K77 PolarHBondContact O-NZ 3.38Å; P72-K77 HydrophobicContact CB-CG 4.35Å; P72-K77 PolarHBondContact O-NZ 3.03Å; S73-K77 WeakPolarHBondContact O-CG 3.46Å; S73-K77 PolarHBondContact O-N 3.36Å; D74-K77 PolarHBondContact O-N 3.49Å; D74-K77 WeakPolarHBondContact OD1-CD 3.46Å; D74-K77 IonicContact OD1-NZ 3.51Å; D74-K77 PolarHBondContact OD1-NZ 3.41Å; K77-L79 PolarHBondContact O-N 3.3Å; K77-G80 PolarHBondContact O-N 3.24Å; K77-G80 VanDerWaalsContact O-N 3.1Å; K77-F81 HydrophobicContact CB-CE2 4.35Å; K77-F81 HydrophobicContact CG-CE2 4.29Å; K77-F81 HydrophobicContact CG-CZ 4.15Å |
| 78 | G | 82.9 | Confident | 85.8 | Confident | 66 Ų | 66 | 28.6 Ų | 28.6 | 68% | 0.68 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -62.9 | -20.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115 | D74 E75 S76 G80 | D74-G78 PolarHBondContact O-N 3.38Å; E75-G78 PolarHBondContact O-N 3.27Å; S76-G78 VanDerWaalsContact C-N 3.27Å; S76-G78 PolarHBondContact O-N 3.27Å; G78-G80 VanDerWaalsContact C-N 3.31Å |
| 79 | L | 86.7 | Confident | 84.9 | Confident | 87 Ų | 87 | 34 Ų | 34 | 46% | 0.455 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -10.1 | 175.9 | -56.5 | 178.6 | 0 | 0 | 0 | 113.5 | R42 S76 K77 L112 | R42-L79 WeakPolarHBondContact CD-O 3.4Å; R42-L79 HydrophobicContact CG-CB 4.02Å; R42-L79 PolarHBondContact NE-O 3.29Å; R42-L79 VanDerWaalsContact NE-O 3.08Å; S76-L79 PolarHBondContact O-N 3.4Å; K77-L79 PolarHBondContact O-N 3.3Å; L79-L112 WeakPolarHBondContact O-CD1 3.43Å |
| 80 | G | 90.1 | Very high | 83.9 | Confident | 8 Ų | 8 | 43.7 Ų | 43.7 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | trans | 79.8 | 168.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R42 K77 G78 Q110 | R42-G80 WeakPolarHBondContact CB-O 3.38Å; K77-G80 PolarHBondContact O-N 3.24Å; K77-G80 VanDerWaalsContact O-N 3.1Å; G78-G80 VanDerWaalsContact C-N 3.31Å; G80-Q110 CarbonylContact C-O 3.43Å; G80-Q110 VanDerWaalsContact CA-O 3.29Å; G80-Q110 WeakPolarHBondContact CA-O 3.46Å | ||
| 81 | F | 93.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 148 | -176 | -72.9 | -100.1 | 0 | 0 | 0 | 112.2 | P43 I45 F69 P72 K77 Q110 L112 | P43-F81 HydrophobicContact CB-CD1 3.98Å; P43-F81 HydrophobicContact CB-CE1 4.02Å; P43-F81 HydrophobicContact CG-CE1 4.36Å; I45-F81 HydrophobicContact CD1-CD1 3.69Å; I45-F81 HydrophobicContact CD1-CE1 4.03Å; I45-F81 HydrophobicContact CG1-CD1 4.22Å; F69-F81 HydrophobicContact CB-CZ 4.22Å; F69-F81 HydrophobicContact CD1-CD1 4.07Å; F69-F81 AromaticContact CD1-CD2 3.63Å; F69-F81 HydrophobicContact CD1-CD2 3.63Å; F69-F81 AromaticContact CD1-CE1 3.97Å; F69-F81 HydrophobicContact CD1-CE1 3.97Å; F69-F81 AromaticContact CD1-CE2 3.53Å; F69-F81 HydrophobicContact CD1-CE2 3.53Å; F69-F81 AromaticContact CD1-CG 3.9Å; F69-F81 HydrophobicContact CD1-CG 3.9Å; F69-F81 AromaticContact CD1-CZ 3.7Å; F69-F81 HydrophobicContact CD1-CZ 3.7Å; F69-F81 HydrophobicContact CE1-CB 3.94Å; F69-F81 AromaticContact CE1-CD1 3.99Å; F69-F81 HydrophobicContact CE1-CD1 3.99Å; F69-F81 AromaticContact CE1-CD2 3.59Å; F69-F81 HydrophobicContact CE1-CD2 3.59Å; F69-F81 HydrophobicContact CE1-CE1 4.37Å; F69-F81 HydrophobicContact CE1-CE2 4.02Å; F69-F81 AromaticContact CE1-CG 3.57Å; F69-F81 HydrophobicContact CE1-CG 3.57Å; F69-F81 HydrophobicContact CE1-CZ 4.38Å; F69-F81 HydrophobicContact CG-CE1 4.22Å; F69-F81 HydrophobicContact CG-CE2 4.39Å; F69-F81 HydrophobicContact CG-CZ 4.12Å; F69-F81 HydrophobicContact CZ-CB 4.34Å; F69-F81 HydrophobicContact CZ-CD1 4.43Å; F69-F81 HydrophobicContact CZ-CG 4.25Å; P72-F81 HydrophobicContact CG-CE1 3.93Å; P72-F81 HydrophobicContact CG-CZ 4.09Å; K77-F81 HydrophobicContact CB-CE2 4.35Å; K77-F81 HydrophobicContact CG-CE2 4.29Å; K77-F81 HydrophobicContact CG-CZ 4.15Å; F81-Q110 PolarHBondContact N-O 3.32Å; F81-L112 PolarHBondContact O-N 2.86Å |
| 82 | V | 93.3 | Very high | 82.8 | Confident | 1 Ų | 1 | 43.1 Ų | 43.1 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 140.6 | 168.6 | 171 | 0 | 0 | 0 | 0 | 109.2 | D38 R42 P43 V44 I45 Y115 I151 | D38-V82 HydrophobicContact CB-CG2 4.19Å; D38-V82 WeakPolarHBondContact OD2-CG2 3.46Å; R42-V82 HydrophobicContact CB-CG2 4.21Å; P43-V82 PolarHBondContact O-N 2.8Å; V44-V82 WeakPolarHBondContact CA-O 3.4Å; I45-V82 PolarHBondContact N-O 3.25Å; V82-Y115 HydrophobicContact CG1-CD2 3.76Å; V82-Y115 HydrophobicContact CG1-CE2 3.61Å; V82-I151 HydrophobicContact CG1-CD1 4.45Å |
| 83 | V | 93.7 | Very high | 82.2 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 132.4 | 178.3 | -172.3 | 0 | 0 | 0 | 0 | 110.7 | I45 F47 I85 L103 V111 A113 V114 Y115 | I45-V83 CarbonylContact O-C 3.28Å; I45-V83 VanDerWaalsContact O-CA 3.26Å; I45-V83 WeakPolarHBondContact O-CA 3.46Å; F47-V83 HydrophobicContact CD2-CG1 3.63Å; F47-V83 HydrophobicContact CE2-CG1 3.52Å; V83-I85 HydrophobicContact CG1-CD1 4.23Å; V83-I85 HydrophobicContact CG1-CG1 3.97Å; V83-L103 HydrophobicContact CG1-CD1 4.41Å; V83-L103 HydrophobicContact CG2-CD1 4.29Å; V83-L103 HydrophobicContact CG2-CD2 4.35Å; V83-V111 HydrophobicContact CG2-CG1 3.94Å; V83-V111 HydrophobicContact CG2-CG2 4.49Å; V83-A113 PolarHBondContact N-O 3.45Å; V83-V114 HydrophobicContact CB-CB 4.49Å; V83-V114 HydrophobicContact CB-CG1 4.26Å; V83-V114 HydrophobicContact CB-CG2 4.14Å; V83-V114 HydrophobicContact CG1-CG1 4.44Å; V83-V114 HydrophobicContact CG2-CG2 4.44Å; V83-V114 CarbonylContact O-C 3.58Å; V83-V114 WeakPolarHBondContact O-CA 3.48Å; V83-Y115 PolarHBondContact O-N 3.2Å |
| 84 | L | 93 | Very high | 82.1 | Confident | 3 Ų | 3 | 50.1 Ų | 50.1 | 2% | 0.016 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 136 | 167.2 | -57.9 | -176.1 | 0 | 0 | 0 | 109.4 | V44 I45 T46 F47 Y115 L147 I151 L156 | V44-L84 HydrophobicContact CG1-CD1 3.88Å; V44-L84 HydrophobicContact CG1-CG 3.78Å; I45-L84 PolarHBondContact O-N 3.36Å; T46-L84 HydrophobicContact CG2-CB 4.38Å; F47-L84 PolarHBondContact N-O 3.18Å; L84-Y115 HydrophobicContact CD2-CD2 3.96Å; L84-Y115 HydrophobicContact CD2-CG 4.2Å; L84-L147 HydrophobicContact CD1-CD2 4.37Å; L84-L147 HydrophobicContact CD2-CD1 3.95Å; L84-I151 HydrophobicContact CD1-CD1 3.93Å; L84-I151 HydrophobicContact CD2-CD1 3.73Å; L84-I151 HydrophobicContact CG-CD1 4.08Å; L84-L156 HydrophobicContact CD1-CD2 3.79Å |
| 85 | I | 90.7 | Very high | 82.2 | Confident | 3 Ų | 3 | 47.8 Ų | 47.8 | 2% | 0.015 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118.3 | 174.1 | -61 | 168.2 | 0 | 0 | 0 | 108.8 | F47 V83 M87 V96 I99 F100 V114 Y115 L116 V117 | F47-I85 HydrophobicContact CB-CB 4.3Å; F47-I85 HydrophobicContact CB-CG1 3.93Å; F47-I85 HydrophobicContact CB-CG2 4.33Å; F47-I85 HydrophobicContact CD2-CD1 4.44Å; F47-I85 HydrophobicContact CD2-CG1 3.74Å; F47-I85 HydrophobicContact CE2-CG1 4.47Å; F47-I85 HydrophobicContact CG-CG1 3.94Å; V83-I85 HydrophobicContact CG1-CD1 4.23Å; V83-I85 HydrophobicContact CG1-CG1 3.97Å; I85-M87 HydrophobicContact CG2-CG 4.25Å; I85-V96 HydrophobicContact CD1-CG1 4.41Å; I85-V96 HydrophobicContact CG2-CG1 4.4Å; I85-V96 HydrophobicContact CG2-CG2 4.02Å; I85-I99 HydrophobicContact CD1-CG2 3.98Å; I85-F100 HydrophobicContact CD1-CD2 4.21Å; I85-F100 HydrophobicContact CD1-CE2 3.63Å; I85-V114 HydrophobicContact CD1-CG1 3.63Å; I85-V114 HydrophobicContact CG1-CG1 4.34Å; I85-Y115 PolarHBondContact N-O 2.93Å; I85-L116 HydrophobicContact CB-CD2 3.89Å; I85-L116 HydrophobicContact CD1-CD2 4.26Å; I85-L116 HydrophobicContact CG2-CD2 4.12Å; I85-L116 WeakPolarHBondContact O-CA 3.37Å; I85-V117 PolarHBondContact O-N 3.3Å |
| 86 | D | 88.7 | Confident | 82.6 | Confident | 9 Ų | 9 | 40.1 Ų | 40.1 | 5% | 0.048 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 129.7 | 173.7 | -156.9 | -20.4 | 0 | 0 | 0 | 111.2 | F47 L49 R88 F160 | F47-D86 PolarHBondContact O-N 3.43Å; L49-D86 HydrophobicContact CB-CB 4.1Å; D86-R88 VanDerWaalsContact OD1-CB 3.23Å; D86-R88 WeakPolarHBondContact OD1-CB 3.35Å; D86-R88 VanDerWaalsContact OD1-CG 3.22Å; D86-R88 WeakPolarHBondContact OD1-CG 3.31Å; D86-R88 PolarHBondContact OD1-N 3.41Å; D86-R88 IonicContact OD1-NE 3.42Å; D86-R88 PolarHBondContact OD1-NE 3.31Å; D86-R88 VanDerWaalsContact OD1-NE 3.1Å; D86-R88 IonicContact OD2-CZ 3.77Å; D86-R88 VanDerWaalsContact OD2-CZ 3.23Å; D86-R88 IonicContact OD2-NE 3.52Å; D86-R88 PolarHBondContact OD2-NE 3.42Å; D86-R88 IonicContact OD2-NH2 2.6Å; D86-R88 PolarHBondContact OD2-NH2 3.32Å; D86-F160 HydrophobicContact CB-CE1 4.08Å; D86-F160 HydrophobicContact CB-CZ 4.02Å |
| 87 | M | 82 | Confident | 82.6 | Confident | 7 Ų | 7 | 43.2 Ų | 43.2 | 3% | 0.034 | 23% | 0.23 | C | C | . | . | trans | -128.2 | 22.7 | 172.8 | -59.4 | -169 | 74.1 | 0 | 0 | 112.8 | I85 V91 V96 L116 V117 K118 | I85-M87 HydrophobicContact CG2-CG 4.25Å; M87-V91 HydrophobicContact CB-CB 4.31Å; M87-V91 HydrophobicContact CE-CG1 4.24Å; M87-V91 VanDerWaalsContact CE-O 3.24Å; M87-V91 WeakPolarHBondContact CE-O 3.32Å; M87-V91 HydrophobicContact CG-CG1 4.32Å; M87-V96 HydrophobicContact CE-CB 4.18Å; M87-V96 HydrophobicContact CE-CG2 3.62Å; M87-V96 HydrophobicContact CG-CG2 3.94Å; M87-V96 HydrophobicContact SD-CB 4.36Å; M87-V96 HydrophobicContact SD-CG1 4.41Å; M87-V96 HydrophobicContact SD-CG2 3.79Å; M87-L116 HydrophobicContact CG-CD2 4.39Å; M87-L116 HydrophobicContact SD-CB 4.34Å; M87-L116 HydrophobicContact SD-CD1 4.17Å; M87-L116 HydrophobicContact SD-CD2 3.87Å; M87-L116 HydrophobicContact SD-CG 4.36Å; M87-V117 CarbonylContact C-O 3.58Å; M87-V117 WeakPolarHBondContact CA-O 3.47Å; M87-V117 PolarHBondContact N-O 3.45Å; M87-K118 HydrophobicContact CB-CD 4.18Å; M87-K118 HydrophobicContact CB-CG 3.64Å; M87-K118 VanDerWaalsContact SD-CE 3.58Å | ||
| 88 | R | 78.3 | Confident | 82.8 | Confident | 37 Ų | 37 | 42.8 Ų | 42.8 | 14% | 0.14 | 23% | 0.231 | C | C | . | . | trans | -61.5 | 170.7 | 164.1 | -67 | 177.7 | -74.7 | -172.4 | 2.1 | 110.2 | L49 D86 K90 V91 V117 D159 D161 | L49-R88 VanDerWaalsContact CD1-O 3.28Å; L49-R88 WeakPolarHBondContact CD1-O 3.45Å; L49-R88 HydrophobicContact CD2-CB 4.19Å; D86-R88 VanDerWaalsContact OD1-CB 3.23Å; D86-R88 WeakPolarHBondContact OD1-CB 3.35Å; D86-R88 VanDerWaalsContact OD1-CG 3.22Å; D86-R88 WeakPolarHBondContact OD1-CG 3.31Å; D86-R88 PolarHBondContact OD1-N 3.41Å; D86-R88 IonicContact OD1-NE 3.42Å; D86-R88 PolarHBondContact OD1-NE 3.31Å; D86-R88 VanDerWaalsContact OD1-NE 3.1Å; D86-R88 IonicContact OD2-CZ 3.77Å; D86-R88 VanDerWaalsContact OD2-CZ 3.23Å; D86-R88 IonicContact OD2-NE 3.52Å; D86-R88 PolarHBondContact OD2-NE 3.42Å; D86-R88 IonicContact OD2-NH2 2.6Å; D86-R88 PolarHBondContact OD2-NH2 3.32Å; R88-K90 PolarHBondContact O-N 3.42Å; R88-V91 WeakPolarHBondContact O-CG2 3.42Å; R88-V117 PolarHBondContact N-O 3.36Å; R88-D159 PolarHBondContact NH1-O 2.71Å; R88-D159 PolarHBondContact NH2-O 3.39Å; R88-D161 IonicContact NH1-OD2 2.62Å | ||
| 89 | N | 70.8 | Confident | 83.1 | Confident | 114 Ų | 114 | 40.2 Ų | 40.2 | 61% | 0.61 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 56.4 | 177.5 | -63.5 | -9.1 | 0 | 0 | 0 | 116.3 | L49 V91 | L49-N89 HydrophobicContact CD1-CB 4.36Å; L49-N89 HydrophobicContact CD2-CB 4.09Å; N89-V91 VanDerWaalsContact C-N 3.32Å; N89-V91 PolarHBondContact O-N 3.34Å |
| 90 | K | 67.7 | Low | 83.1 | Confident | 209 Ų | 209 | 36 Ų | 36 | 91% | 0.909 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65.4 | 16.9 | 168.8 | -54.7 | 176.9 | 179.7 | 173.6 | 0 | 116.6 | R88 S92 | R88-K90 PolarHBondContact O-N 3.42Å; K90-S92 PolarHBondContact O-N 3.38Å; K90-S92 VanDerWaalsContact O-N 3.15Å |
| 91 | V | 74.4 | Confident | 82.9 | Confident | 13 Ų | 13 | 42.3 Ų | 42.3 | 8% | 0.079 | 20% | 0.201 | C | C | . | . | trans | -61.1 | 116.2 | 171.6 | 176.8 | 0 | 0 | 0 | 0 | 110.2 | L49 P53 M87 R88 N89 N95 V96 | L49-V91 HydrophobicContact CD1-CG2 3.73Å; P53-V91 HydrophobicContact CB-CG2 4.38Å; M87-V91 HydrophobicContact CB-CB 4.31Å; M87-V91 HydrophobicContact CE-CG1 4.24Å; M87-V91 VanDerWaalsContact CE-O 3.24Å; M87-V91 WeakPolarHBondContact CE-O 3.32Å; M87-V91 HydrophobicContact CG-CG1 4.32Å; R88-V91 WeakPolarHBondContact O-CG2 3.42Å; N89-V91 VanDerWaalsContact C-N 3.32Å; N89-V91 PolarHBondContact O-N 3.34Å; V91-N95 HydrophobicContact CG1-CB 4.1Å; V91-V96 HydrophobicContact CG1-CG2 4.07Å | ||
| 92 | S | 73.9 | Confident | 82.6 | Confident | 37 Ų | 37 | 42.6 Ų | 42.6 | 26% | 0.259 | 20% | 0.203 | S | C | . | . | trans | -82.1 | 158.6 | -175 | 86.4 | 0 | 0 | 0 | 0 | 112.7 | K90 N94 N95 | K90-S92 PolarHBondContact O-N 3.38Å; K90-S92 VanDerWaalsContact O-N 3.15Å; S92-N94 PolarHBondContact O-N 2.94Å; S92-N94 VanDerWaalsContact O-N 3.11Å; S92-N94 PolarHBondContact OG-N 2.91Å; S92-N95 PolarHBondContact N-OD1 3.47Å; S92-N95 WeakPolarHBondContact O-CB 3.36Å; S92-N95 PolarHBondContact O-N 3.37Å; S92-N95 PolarHBondContact OG-OD1 3.02Å | ||
| 93 | W | 73.1 | Confident | 82.3 | Confident | 42 Ų | 42 | 42.6 Ų | 42.6 | 16% | 0.159 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.1 | -27.2 | 171.5 | 179.3 | -113.3 | 0 | 0 | 0 | 113.4 | N95 V96 K97 F100 L116 A128 A131 | W93-N95 VanDerWaalsContact C-N 3.26Å; W93-N95 PolarHBondContact O-N 2.9Å; W93-V96 HydrophobicContact CE3-CB 4.43Å; W93-V96 HydrophobicContact CE3-CG1 4.35Å; W93-V96 HydrophobicContact CZ3-CG1 4.07Å; W93-V96 PolarHBondContact O-N 3.16Å; W93-K97 VanDerWaalsContact O-CB 3.28Å; W93-K97 WeakPolarHBondContact O-CB 3.24Å; W93-K97 PolarHBondContact O-N 3.26Å; W93-F100 AromaticContact CH2-CD1 3.78Å; W93-F100 HydrophobicContact CH2-CD1 3.78Å; W93-F100 AromaticContact CH2-CE1 3.65Å; W93-F100 HydrophobicContact CH2-CE1 3.65Å; W93-F100 HydrophobicContact CH2-CG 4.36Å; W93-F100 HydrophobicContact CH2-CZ 4.16Å; W93-F100 HydrophobicContact CZ3-CD1 4.49Å; W93-F100 HydrophobicContact CZ3-CE1 4.05Å; W93-F100 HydrophobicContact CZ3-CZ 4.1Å; W93-L116 HydrophobicContact CZ3-CD1 4.25Å; W93-A128 HydrophobicContact CE3-CB 4.26Å; W93-A128 HydrophobicContact CZ3-CB 4.29Å; W93-A131 HydrophobicContact CH2-CB 4.17Å; W93-A131 HydrophobicContact CZ2-CB 3.34Å |
| 94 | N | 75.8 | Confident | 81.9 | Confident | 121 Ų | 121 | 44.4 Ų | 44.4 | 65% | 0.647 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -70.4 | -21.2 | 177.6 | -67.5 | -38.6 | 0 | 0 | 0 | 113.2 | S92 P98 | S92-N94 PolarHBondContact O-N 2.94Å; S92-N94 VanDerWaalsContact O-N 3.11Å; S92-N94 PolarHBondContact OG-N 2.91Å; N94-P98 VanDerWaalsContact O-CD 3.29Å; N94-P98 WeakPolarHBondContact O-CD 3.44Å |
| 95 | N | 79.7 | Confident | 81.4 | Confident | 29 Ų | 29 | 49.9 Ų | 49.9 | 16% | 0.155 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -80.7 | -29.1 | 173.8 | -61.1 | 89.8 | 0 | 0 | 0 | 112.2 | P53 V91 S92 W93 P98 | P53-N95 PolarHBondContact O-ND2 3.29Å; V91-N95 HydrophobicContact CG1-CB 4.1Å; S92-N95 PolarHBondContact N-OD1 3.47Å; S92-N95 WeakPolarHBondContact O-CB 3.36Å; S92-N95 PolarHBondContact O-N 3.37Å; S92-N95 PolarHBondContact OG-OD1 3.02Å; W93-N95 VanDerWaalsContact C-N 3.26Å; W93-N95 PolarHBondContact O-N 2.9Å; N95-P98 WeakPolarHBondContact O-CD 3.2Å |
| 96 | V | 83.1 | Confident | 80.8 | Confident | 3 Ų | 3 | 51 Ų | 51 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -93.9 | -30.8 | -175.3 | 172.3 | 0 | 0 | 0 | 0 | 113.1 | I85 M87 V91 W93 P98 I99 F100 L116 | I85-V96 HydrophobicContact CD1-CG1 4.41Å; I85-V96 HydrophobicContact CG2-CG1 4.4Å; I85-V96 HydrophobicContact CG2-CG2 4.02Å; M87-V96 HydrophobicContact CE-CB 4.18Å; M87-V96 HydrophobicContact CE-CG2 3.62Å; M87-V96 HydrophobicContact CG-CG2 3.94Å; M87-V96 HydrophobicContact SD-CB 4.36Å; M87-V96 HydrophobicContact SD-CG1 4.41Å; M87-V96 HydrophobicContact SD-CG2 3.79Å; V91-V96 HydrophobicContact CG1-CG2 4.07Å; W93-V96 HydrophobicContact CE3-CB 4.43Å; W93-V96 HydrophobicContact CE3-CG1 4.35Å; W93-V96 HydrophobicContact CZ3-CG1 4.07Å; W93-V96 PolarHBondContact O-N 3.16Å; V96-P98 VanDerWaalsContact C-N 3.33Å; V96-I99 WeakPolarHBondContact O-CB 3.39Å; V96-I99 PolarHBondContact O-N 3.18Å; V96-F100 HydrophobicContact CG1-CD2 3.57Å; V96-F100 HydrophobicContact CG1-CE2 3.24Å; V96-F100 HydrophobicContact CG1-CZ 4.07Å; V96-F100 PolarHBondContact O-N 3.3Å; V96-L116 HydrophobicContact CG1-CD2 4.07Å |
| 97 | K | 82.7 | Confident | 80.4 | Confident | 81 Ų | 81 | 52 Ų | 52 | 35% | 0.352 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -53.2 | -34.8 | 175.3 | -178.7 | -179.9 | 178.3 | -176.2 | 0 | 115.3 | W93 R101 | W93-K97 VanDerWaalsContact O-CB 3.28Å; W93-K97 WeakPolarHBondContact O-CB 3.24Å; W93-K97 PolarHBondContact O-N 3.26Å; K97-R101 PolarHBondContact O-N 3.3Å |
| 98 | P | 85 | Confident | 79.9 | Confident | 29 Ų | 29 | 55 Ų | 55 | 19% | 0.188 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -41 | 170.8 | -22.1 | 34.3 | 0 | 0 | 0 | 113.1 | V58 N94 N95 V96 F100 R101 C102 | V58-P98 HydrophobicContact CG2-CB 4.26Å; N94-P98 VanDerWaalsContact O-CD 3.29Å; N94-P98 WeakPolarHBondContact O-CD 3.44Å; N95-P98 WeakPolarHBondContact O-CD 3.2Å; V96-P98 VanDerWaalsContact C-N 3.33Å; P98-F100 PolarHBondContact O-N 3.45Å; P98-R101 PolarHBondContact O-N 3.2Å; P98-C102 WeakPolarHBondContact O-CB 3.43Å; P98-C102 PolarHBondContact O-N 3.1Å |
| 99 | I | 88.1 | Confident | 79.9 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 6% | 0.056 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 179.8 | -59.1 | 167.2 | 0 | 0 | 0 | 110.4 | F47 L61 I85 V96 R101 C102 L103 | F47-I99 HydrophobicContact CD1-CD1 3.69Å; F47-I99 HydrophobicContact CD1-CG1 4.3Å; F47-I99 HydrophobicContact CD1-CG2 4.16Å; F47-I99 HydrophobicContact CE1-CB 4.3Å; F47-I99 HydrophobicContact CE1-CD1 3.82Å; F47-I99 HydrophobicContact CE1-CG1 3.91Å; F47-I99 HydrophobicContact CE1-CG2 3.43Å; F47-I99 VanDerWaalsContact CE1-CG2 3.43Å; F47-I99 HydrophobicContact CE2-CG2 4.01Å; F47-I99 HydrophobicContact CZ-CG2 3.34Å; L61-I99 HydrophobicContact CD2-CB 4.19Å; L61-I99 HydrophobicContact CD2-CG1 3.82Å; L61-I99 HydrophobicContact CD2-CG2 4.44Å; I85-I99 HydrophobicContact CD1-CG2 3.98Å; V96-I99 WeakPolarHBondContact O-CB 3.39Å; V96-I99 PolarHBondContact O-N 3.18Å; I99-R101 VanDerWaalsContact C-N 3.32Å; I99-R101 PolarHBondContact O-N 3.36Å; I99-C102 WeakPolarHBondContact O-CB 3.25Å; I99-C102 PolarHBondContact O-N 2.86Å; I99-C102 VanDerWaalsContact O-N 3.11Å; I99-L103 HydrophobicContact CG2-CD1 3.96Å; I99-L103 HydrophobicContact CG2-CG 4.37Å; I99-L103 WeakPolarHBondContact O-CG 3.35Å; I99-L103 PolarHBondContact O-N 3.4Å |
| 100 | F | 87.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -62.6 | -38 | -179.1 | -81.3 | -138 | 0 | 0 | 0 | 112.5 | I85 W93 V96 P98 Q104 V114 L116 Y135 F137 V139 | I85-F100 HydrophobicContact CD1-CD2 4.21Å; I85-F100 HydrophobicContact CD1-CE2 3.63Å; W93-F100 AromaticContact CH2-CD1 3.78Å; W93-F100 HydrophobicContact CH2-CD1 3.78Å; W93-F100 AromaticContact CH2-CE1 3.65Å; W93-F100 HydrophobicContact CH2-CE1 3.65Å; W93-F100 HydrophobicContact CH2-CG 4.36Å; W93-F100 HydrophobicContact CH2-CZ 4.16Å; W93-F100 HydrophobicContact CZ3-CD1 4.49Å; W93-F100 HydrophobicContact CZ3-CE1 4.05Å; W93-F100 HydrophobicContact CZ3-CZ 4.1Å; V96-F100 HydrophobicContact CG1-CD2 3.57Å; V96-F100 HydrophobicContact CG1-CE2 3.24Å; V96-F100 HydrophobicContact CG1-CZ 4.07Å; V96-F100 PolarHBondContact O-N 3.3Å; P98-F100 PolarHBondContact O-N 3.45Å; F100-Q104 VanDerWaalsContact O-CB 3.31Å; F100-Q104 WeakPolarHBondContact O-CB 3.5Å; F100-Q104 PolarHBondContact O-N 2.91Å; F100-Q104 VanDerWaalsContact O-N 3.12Å; F100-V114 HydrophobicContact CE2-CG1 3.86Å; F100-V114 HydrophobicContact CZ-CG1 3.85Å; F100-L116 HydrophobicContact CE2-CD2 3.94Å; F100-L116 HydrophobicContact CZ-CD1 4.08Å; F100-L116 HydrophobicContact CZ-CD2 3.82Å; F100-L116 HydrophobicContact CZ-CG 4.22Å; F100-Y135 HydrophobicContact CB-CD1 4.29Å; F100-Y135 HydrophobicContact CB-CD2 4.47Å; F100-Y135 HydrophobicContact CB-CE1 3.79Å; F100-Y135 HydrophobicContact CB-CE2 3.99Å; F100-Y135 AromaticContact CD1-CD2 3.78Å; F100-Y135 HydrophobicContact CD1-CD2 3.78Å; F100-Y135 AromaticContact CD1-CE2 3.68Å; F100-Y135 HydrophobicContact CD1-CE2 3.68Å; F100-Y135 HydrophobicContact CD1-CG 4.38Å; F100-Y135 HydrophobicContact CG-CE2 4.35Å; F100-F137 HydrophobicContact CB-CZ 4.1Å; F100-F137 AromaticContact CD1-CE2 3.77Å; F100-F137 HydrophobicContact CD1-CE2 3.77Å; F100-F137 HydrophobicContact CD1-CZ 4.11Å; F100-F137 HydrophobicContact CE1-CE2 4.1Å; F100-F137 HydrophobicContact CG-CE2 4.18Å; F100-F137 HydrophobicContact CG-CZ 4.16Å; F100-F137 WeakPolarHBondContact O-CZ 3.44Å; F100-V139 HydrophobicContact CD1-CG2 4.33Å; F100-V139 HydrophobicContact CE1-CB 4.25Å; F100-V139 HydrophobicContact CE1-CG1 3.63Å; F100-V139 HydrophobicContact CE1-CG2 3.54Å; F100-V139 HydrophobicContact CZ-CG1 3.75Å; F100-V139 HydrophobicContact CZ-CG2 4.26Å |
| 101 | R | 85.2 | Confident | 81.4 | Confident | 140 Ų | 140 | 44.3 Ų | 44.3 | 53% | 0.528 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -63.8 | -47.9 | 171.6 | -72.6 | 172 | 164.7 | -170.4 | -10.4 | 111.2 | K97 P98 I99 L103 Q104 D105 Y135 | K97-R101 PolarHBondContact O-N 3.3Å; P98-R101 PolarHBondContact O-N 3.2Å; I99-R101 VanDerWaalsContact C-N 3.32Å; I99-R101 PolarHBondContact O-N 3.36Å; R101-L103 VanDerWaalsContact C-N 3.35Å; R101-L103 PolarHBondContact O-N 3.05Å; R101-Q104 WeakPolarHBondContact O-CB 3.33Å; R101-Q104 PolarHBondContact O-N 3.36Å; R101-Q104 VanDerWaalsContact O-N 3.15Å; R101-D105 VanDerWaalsContact O-CB 3.31Å; R101-D105 WeakPolarHBondContact O-CB 3.4Å; R101-D105 PolarHBondContact O-N 2.73Å; R101-Y135 HydrophobicContact CG-CE1 4.43Å |
| 102 | C | 86.7 | Confident | 81.9 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.9 | -46.7 | 179.6 | -148.3 | 0 | 0 | 0 | 0 | 112 | L61 R62 L65 P98 I99 Q104 D105 I106 | L61-C102 HydrophobicContact CD2-CB 3.8Å; L61-C102 HydrophobicContact CG-CB 4.26Å; R62-C102 VanDerWaalsContact CA-SG 3.58Å; L65-C102 HydrophobicContact CD1-CB 4.04Å; P98-C102 WeakPolarHBondContact O-CB 3.43Å; P98-C102 PolarHBondContact O-N 3.1Å; I99-C102 WeakPolarHBondContact O-CB 3.25Å; I99-C102 PolarHBondContact O-N 2.86Å; I99-C102 VanDerWaalsContact O-N 3.11Å; C102-Q104 PolarHBondContact O-N 3.39Å; C102-D105 PolarHBondContact O-N 2.87Å; C102-I106 WeakPolarHBondContact O-CB 3.3Å; C102-I106 WeakPolarHBondContact O-CD1 3.2Å; C102-I106 WeakPolarHBondContact O-CG1 3.43Å; C102-I106 PolarHBondContact O-N 2.91Å; C102-I106 VanDerWaalsContact O-N 3.12Å; C102-I106 VanDerWaalsContact SG-CD1 3.57Å |
| 103 | L | 88.6 | Confident | 82.5 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.8 | -67.1 | 168.4 | 0 | 0 | 0 | 112.5 | L65 F69 V83 I99 R101 F107 V111 V114 F137 | L65-L103 HydrophobicContact CD1-CD2 3.91Å; L65-L103 HydrophobicContact CD1-CG 4.32Å; L65-L103 HydrophobicContact CD2-CD2 4.29Å; F69-L103 HydrophobicContact CE2-CD2 4.09Å; F69-L103 HydrophobicContact CZ-CD2 4Å; V83-L103 HydrophobicContact CG1-CD1 4.41Å; V83-L103 HydrophobicContact CG2-CD1 4.29Å; V83-L103 HydrophobicContact CG2-CD2 4.35Å; I99-L103 HydrophobicContact CG2-CD1 3.96Å; I99-L103 HydrophobicContact CG2-CG 4.37Å; I99-L103 WeakPolarHBondContact O-CG 3.35Å; I99-L103 PolarHBondContact O-N 3.4Å; R101-L103 VanDerWaalsContact C-N 3.35Å; R101-L103 PolarHBondContact O-N 3.05Å; L103-F107 CarbonylContact O-C 3.56Å; L103-F107 PolarHBondContact O-N 3.24Å; L103-V111 HydrophobicContact CB-CG2 4.45Å; L103-V111 HydrophobicContact CD2-CG2 4.13Å; L103-V114 HydrophobicContact CD1-CG2 4.44Å; L103-F137 HydrophobicContact CB-CE1 3.85Å; L103-F137 HydrophobicContact CB-CZ 4.28Å |
| 104 | Q | 85 | Confident | 83.4 | Confident | 39 Ų | 39 | 43.5 Ų | 43.5 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 178.1 | 176.1 | 86.3 | -10.9 | 0 | 0 | 112.7 | F100 R101 C102 P108 Y135 F137 | F100-Q104 VanDerWaalsContact O-CB 3.31Å; F100-Q104 WeakPolarHBondContact O-CB 3.5Å; F100-Q104 PolarHBondContact O-N 2.91Å; F100-Q104 VanDerWaalsContact O-N 3.12Å; R101-Q104 WeakPolarHBondContact O-CB 3.33Å; R101-Q104 PolarHBondContact O-N 3.36Å; R101-Q104 VanDerWaalsContact O-N 3.15Å; C102-Q104 PolarHBondContact O-N 3.39Å; Q104-P108 WeakPolarHBondContact O-CB 3.39Å; Q104-Y135 HydrophobicContact CB-CD1 3.93Å; Q104-Y135 HydrophobicContact CB-CE1 4.49Å; Q104-Y135 HydrophobicContact CG-CD1 4.13Å; Q104-F137 HydrophobicContact CB-CE1 4.15Å |
| 105 | D | 81.3 | Confident | 84 | Confident | 117 Ų | 117 | 38.7 Ų | 38.7 | 63% | 0.626 | 20% | 0.202 | S | C | * | . | H | α-helix | trans | -79.9 | -23.2 | -172.1 | -65.1 | -22.5 | 0 | 0 | 0 | 112.4 | R101 C102 | R101-D105 VanDerWaalsContact O-CB 3.31Å; R101-D105 WeakPolarHBondContact O-CB 3.4Å; R101-D105 PolarHBondContact O-N 2.73Å; C102-D105 PolarHBondContact O-N 2.87Å |
| 106 | I | 79.6 | Confident | 84.4 | Confident | 27 Ų | 27 | 37.3 Ų | 37.3 | 14% | 0.138 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -99.6 | -45.3 | 178.7 | -52.3 | 163.5 | 0 | 0 | 0 | 111.8 | R62 L65 L66 C102 P108 | R62-I106 HydrophobicContact CB-CD1 3.99Å; R62-I106 HydrophobicContact CG-CD1 3.81Å; R62-I106 HydrophobicContact CG-CG1 4.34Å; L65-I106 HydrophobicContact CB-CD1 4.22Å; L66-I106 HydrophobicContact CD2-CG2 3.54Å; L66-I106 HydrophobicContact CG-CG2 3.97Å; C102-I106 WeakPolarHBondContact O-CB 3.3Å; C102-I106 WeakPolarHBondContact O-CD1 3.2Å; C102-I106 WeakPolarHBondContact O-CG1 3.43Å; C102-I106 PolarHBondContact O-N 2.91Å; C102-I106 VanDerWaalsContact O-N 3.12Å; C102-I106 VanDerWaalsContact SG-CD1 3.57Å; I106-P108 VanDerWaalsContact O-CD 3.32Å; I106-P108 WeakPolarHBondContact O-CD 3.43Å |
| 107 | F | 78.8 | Confident | 84.5 | Confident | 29 Ų | 29 | 37.2 Ų | 37.2 | 13% | 0.127 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -124.6 | 53.5 | -169.8 | -62.3 | -65.6 | 0 | 0 | 0 | 113.7 | L65 L66 F69 L103 G109 Q110 V111 | L65-F107 HydrophobicContact CB-CE2 4.33Å; L66-F107 HydrophobicContact CD2-CZ 4.28Å; F69-F107 HydrophobicContact CB-CD1 4.46Å; F69-F107 HydrophobicContact CB-CD2 4.3Å; F69-F107 HydrophobicContact CB-CE1 3.78Å; F69-F107 HydrophobicContact CB-CE2 3.58Å; F69-F107 HydrophobicContact CB-CZ 3.29Å; F69-F107 HydrophobicContact CD1-CB 4.29Å; F69-F107 AromaticContact CD1-CD1 3.84Å; F69-F107 HydrophobicContact CD1-CD1 3.84Å; F69-F107 AromaticContact CD1-CD2 3.56Å; F69-F107 HydrophobicContact CD1-CD2 3.56Å; F69-F107 HydrophobicContact CD1-CE1 4.03Å; F69-F107 AromaticContact CD1-CE2 3.75Å; F69-F107 HydrophobicContact CD1-CE2 3.75Å; F69-F107 AromaticContact CD1-CG 3.62Å; F69-F107 HydrophobicContact CD1-CG 3.62Å; F69-F107 AromaticContact CD1-CZ 3.99Å; F69-F107 HydrophobicContact CD1-CZ 3.99Å; F69-F107 AromaticContact CD2-CD2 3.75Å; F69-F107 HydrophobicContact CD2-CD2 3.75Å; F69-F107 AromaticContact CD2-CE2 3.45Å; F69-F107 HydrophobicContact CD2-CE2 3.45Å; F69-F107 VanDerWaalsContact CD2-CE2 3.45Å; F69-F107 HydrophobicContact CD2-CZ 4.13Å; F69-F107 HydrophobicContact CE1-CB 3.96Å; F69-F107 HydrophobicContact CE1-CD1 4.38Å; F69-F107 AromaticContact CE1-CD2 3.67Å; F69-F107 HydrophobicContact CE1-CD2 3.67Å; F69-F107 HydrophobicContact CE1-CE2 4.27Å; F69-F107 AromaticContact CE1-CG 3.74Å; F69-F107 HydrophobicContact CE1-CG 3.74Å; F69-F107 AromaticContact CE2-CD2 3.84Å; F69-F107 HydrophobicContact CE2-CD2 3.84Å; F69-F107 AromaticContact CE2-CE2 4Å; F69-F107 HydrophobicContact CE2-CE2 4Å; F69-F107 HydrophobicContact CG-CD1 4.28Å; F69-F107 AromaticContact CG-CD2 3.61Å; F69-F107 HydrophobicContact CG-CD2 3.61Å; F69-F107 HydrophobicContact CG-CE1 4.04Å; F69-F107 AromaticContact CG-CE2 3.3Å; F69-F107 HydrophobicContact CG-CE2 3.3Å; F69-F107 HydrophobicContact CG-CG 4.09Å; F69-F107 AromaticContact CG-CZ 3.56Å; F69-F107 HydrophobicContact CG-CZ 3.56Å; F69-F107 AromaticContact CZ-CD2 3.81Å; F69-F107 HydrophobicContact CZ-CD2 3.81Å; F69-F107 HydrophobicContact CZ-CE2 4.38Å; F69-F107 HydrophobicContact CZ-CG 4.3Å; L103-F107 CarbonylContact O-C 3.56Å; L103-F107 PolarHBondContact O-N 3.24Å; F107-G109 PolarHBondContact O-N 3.01Å; F107-Q110 HydrophobicContact CB-CB 4.36Å; F107-Q110 PolarHBondContact O-N 3.34Å; F107-Q110 VanDerWaalsContact O-N 3.13Å; F107-V111 HydrophobicContact CB-CG2 4.5Å |
| 108 | P | 72.9 | Confident | 84 | Confident | 70 Ų | 70 | 34.1 Ų | 34.1 | 46% | 0.455 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | 95.2 | -172.6 | 26.7 | -35.6 | 0 | 0 | 0 | 113 | Q104 I106 K136 | Q104-P108 WeakPolarHBondContact O-CB 3.39Å; I106-P108 VanDerWaalsContact O-CD 3.32Å; I106-P108 WeakPolarHBondContact O-CD 3.43Å; P108-K136 HydrophobicContact CB-CD 3.99Å |
| 109 | G | 77 | Confident | 82.7 | Confident | 45 Ų | 45 | 39.1 Ų | 39.1 | 46% | 0.464 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 99.8 | 4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | F107 | F107-G109 PolarHBondContact O-N 3.01Š|
| 110 | Q | 81.8 | Confident | 80.9 | Confident | 90 Ų | 90 | 44.3 Ų | 44.3 | 42% | 0.421 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -31.4 | 165.9 | -70.5 | -171.1 | -1.5 | 0 | 0 | 112.2 | G80 F81 F107 | G80-Q110 CarbonylContact C-O 3.43Å; G80-Q110 VanDerWaalsContact CA-O 3.29Å; G80-Q110 WeakPolarHBondContact CA-O 3.46Å; F81-Q110 PolarHBondContact N-O 3.32Å; F107-Q110 HydrophobicContact CB-CB 4.36Å; F107-Q110 PolarHBondContact O-N 3.34Å; F107-Q110 VanDerWaalsContact O-N 3.13Å |
| 111 | V | 88.7 | Confident | 79.3 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 126.9 | 163.5 | -176.7 | 0 | 0 | 0 | 0 | 107.9 | F69 V83 L103 F107 V114 F137 | F69-V111 HydrophobicContact CE1-CG2 3.85Å; F69-V111 HydrophobicContact CZ-CG2 3.64Å; V83-V111 HydrophobicContact CG2-CG1 3.94Å; V83-V111 HydrophobicContact CG2-CG2 4.49Å; L103-V111 HydrophobicContact CB-CG2 4.45Å; L103-V111 HydrophobicContact CD2-CG2 4.13Å; F107-V111 HydrophobicContact CB-CG2 4.5Å; V111-V114 HydrophobicContact CG1-CG2 3.77Å; V111-F137 HydrophobicContact CB-CB 4.12Å; V111-F137 HydrophobicContact CB-CD1 4.15Å; V111-F137 HydrophobicContact CB-CG 4.38Å; V111-F137 HydrophobicContact CG1-CB 3.78Å; V111-F137 HydrophobicContact CG1-CD1 4.15Å; V111-F137 HydrophobicContact CG1-CG 3.98Å; V111-F137 WeakPolarHBondContact O-CB 3.31Å |
| 112 | L | 84.3 | Confident | 77.7 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 36% | 0.356 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | -48 | 178.2 | -67.8 | 171.3 | 0 | 0 | 0 | 111.3 | R42 L79 F81 E138 | R42-L112 VanDerWaalsContact NE-CD1 3.3Å; L79-L112 WeakPolarHBondContact O-CD1 3.43Å; F81-L112 PolarHBondContact O-N 2.86Å; L112-E138 PolarHBondContact O-N 2.64Å |
| 113 | A | 88 | Confident | 76 | Confident | 7 Ų | 7 | 56.3 Ų | 56.3 | 6% | 0.058 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.3 | 143.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | V83 Y115 E138 | V83-A113 PolarHBondContact N-O 3.45Å; A113-Y115 HydrophobicContact CB-CE2 3.99Å; A113-E138 HydrophobicContact CB-CB 4.3Å |
| 114 | V | 90.6 | Very high | 74.6 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 111.8 | 178 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | V83 I85 F100 L103 V111 F137 E138 V139 H140 | V83-V114 HydrophobicContact CB-CB 4.49Å; V83-V114 HydrophobicContact CB-CG1 4.26Å; V83-V114 HydrophobicContact CB-CG2 4.14Å; V83-V114 HydrophobicContact CG1-CG1 4.44Å; V83-V114 HydrophobicContact CG2-CG2 4.44Å; V83-V114 CarbonylContact O-C 3.58Å; V83-V114 WeakPolarHBondContact O-CA 3.48Å; I85-V114 HydrophobicContact CD1-CG1 3.63Å; I85-V114 HydrophobicContact CG1-CG1 4.34Å; F100-V114 HydrophobicContact CE2-CG1 3.86Å; F100-V114 HydrophobicContact CZ-CG1 3.85Å; L103-V114 HydrophobicContact CD1-CG2 4.44Å; V111-V114 HydrophobicContact CG1-CG2 3.77Å; V114-F137 HydrophobicContact CB-CD2 4.21Å; V114-F137 HydrophobicContact CB-CE2 4.43Å; V114-F137 HydrophobicContact CG2-CB 4.45Å; V114-F137 HydrophobicContact CG2-CD2 3.36Å; V114-F137 HydrophobicContact CG2-CE2 3.68Å; V114-F137 HydrophobicContact CG2-CG 3.95Å; V114-F137 HydrophobicContact CG2-CZ 4.49Å; V114-E138 PolarHBondContact N-O 3.48Å; V114-V139 WeakPolarHBondContact O-CA 3.26Å; V114-H140 PolarHBondContact O-N 3.47Å |
| 115 | Y | 89.2 | Confident | 73.3 | Confident | 20 Ų | 20 | 61 Ų | 61 | 8% | 0.078 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 123.9 | 179.6 | -60.7 | -86.6 | 0 | 0 | 0 | 110.9 | V82 V83 L84 I85 A113 H140 V142 L147 Y150 I2385 | V82-Y115 HydrophobicContact CG1-CD2 3.76Å; V82-Y115 HydrophobicContact CG1-CE2 3.61Å; V83-Y115 PolarHBondContact O-N 3.2Å; L84-Y115 HydrophobicContact CD2-CD2 3.96Å; L84-Y115 HydrophobicContact CD2-CG 4.2Å; I85-Y115 PolarHBondContact N-O 2.93Å; A113-Y115 HydrophobicContact CB-CE2 3.99Å; Y115-H140 CarbonylContact C-O 3.56Å; Y115-H140 WeakPolarHBondContact CA-O 3.26Å; Y115-H140 HydrophobicContact CD1-CB 3.51Å; Y115-H140 HydrophobicContact CE1-CB 3.82Å; Y115-H140 AromaticContact CE1-CD2 3.67Å; Y115-H140 HydrophobicContact CG-CB 4.36Å; Y115-V142 HydrophobicContact CD1-CG2 3.82Å; Y115-L147 HydrophobicContact CG-CD1 4.46Å; Y115-Y150 HydrophobicContact CD1-CD2 4.23Å; Y115-Y150 HydrophobicContact CD1-CG 4.38Å; Y115-Y150 AromaticContact CE1-CD1 3.85Å; Y115-Y150 HydrophobicContact CE1-CD1 3.85Å; Y115-Y150 AromaticContact CE1-CD2 3.74Å; Y115-Y150 HydrophobicContact CE1-CD2 3.74Å; Y115-Y150 HydrophobicContact CE1-CE1 4.42Å; Y115-Y150 HydrophobicContact CE1-CE2 4.32Å; Y115-Y150 AromaticContact CE1-CG 3.5Å; Y115-Y150 HydrophobicContact CE1-CG 3.5Å; Y115-Y150 AromaticContact CZ-CG 3.78Å; Y115-I2385 HydrophobicContact CE1-CD1 4.22Å |
| 116 | L | 87.6 | Confident | 72.4 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 110.8 | 177.2 | -62.3 | 178.6 | 0 | 0 | 0 | 109.5 | I85 M87 W93 V96 F100 A128 V139 H140 C141 V142 | I85-L116 HydrophobicContact CB-CD2 3.89Å; I85-L116 HydrophobicContact CD1-CD2 4.26Å; I85-L116 HydrophobicContact CG2-CD2 4.12Å; I85-L116 WeakPolarHBondContact O-CA 3.37Å; M87-L116 HydrophobicContact CG-CD2 4.39Å; M87-L116 HydrophobicContact SD-CB 4.34Å; M87-L116 HydrophobicContact SD-CD1 4.17Å; M87-L116 HydrophobicContact SD-CD2 3.87Å; M87-L116 HydrophobicContact SD-CG 4.36Å; W93-L116 HydrophobicContact CZ3-CD1 4.25Å; V96-L116 HydrophobicContact CG1-CD2 4.07Å; F100-L116 HydrophobicContact CE2-CD2 3.94Å; F100-L116 HydrophobicContact CZ-CD1 4.08Å; F100-L116 HydrophobicContact CZ-CD2 3.82Å; F100-L116 HydrophobicContact CZ-CG 4.22Å; L116-A128 HydrophobicContact CD1-CB 4.22Å; L116-V139 HydrophobicContact CD1-CG1 3.78Å; L116-V139 HydrophobicContact CG-CG1 4.21Å; L116-H140 PolarHBondContact N-O 3.27Å; L116-C141 WeakPolarHBondContact O-CA 3.32Å; L116-V142 PolarHBondContact O-N 3.49Å |
| 117 | V | 85.9 | Confident | 71.4 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.5 | -178.3 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | I85 M87 R88 V142 P144 L147 F160 | I85-V117 PolarHBondContact O-N 3.3Å; M87-V117 CarbonylContact C-O 3.58Å; M87-V117 WeakPolarHBondContact CA-O 3.47Å; M87-V117 PolarHBondContact N-O 3.45Å; R88-V117 PolarHBondContact N-O 3.36Å; V117-V142 WeakPolarHBondContact CA-O 3.49Å; V117-P144 HydrophobicContact CG1-CB 4.39Å; V117-L147 HydrophobicContact CG2-CD2 4.14Å; V117-F160 HydrophobicContact CB-CE1 4.22Å; V117-F160 HydrophobicContact CG1-CD1 4.46Å; V117-F160 HydrophobicContact CG2-CD1 3.93Å; V117-F160 HydrophobicContact CG2-CE1 3.77Å |
| 118 | K | 71.5 | Confident | 70.4 | Confident | 17 Ų | 17 | 64.8 Ų | 64.8 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | trans | -140.4 | 150.3 | -176.8 | -83.2 | -157.7 | 167.3 | -171.7 | 0 | 114.2 | M87 E124 V142 | M87-K118 HydrophobicContact CB-CD 4.18Å; M87-K118 HydrophobicContact CB-CG 3.64Å; M87-K118 VanDerWaalsContact SD-CE 3.58Å; K118-E124 IonicContact NZ-OE2 3.89Å; K118-E124 PolarHBondContact NZ-OE2 3.42Å; K118-V142 PolarHBondContact N-O 3.01Å | ||
| 119 | Q | 58 | Low | 69.9 | Low | 134 Ų | 134 | 64.5 Ų | 64.5 | 63% | 0.626 | 32% | 0.318 | S | S | * | . | trans | -76.3 | 150.7 | 155.7 | -71.7 | 171.9 | -28.9 | 0 | 0 | 109.9 | S121 | Q119-S121 PolarHBondContact O-N 3.07Š| ||
| 120 | D | 50.9 | Low | 69.2 | Low | 119 Ų | 119 | 66.8 Ų | 66.8 | 64% | 0.636 | 32% | 0.323 | S | S | * | . | trans | -75.3 | 117.7 | -161.8 | -113.2 | -56.1 | 0 | 0 | 0 | 114.8 | K125 | D120-K125 WeakPolarHBondContact OD1-CE 3.46Å; D120-K125 IonicContact OD1-NZ 2.69Å; D120-K125 PolarHBondContact OD1-NZ 2.79Å; D120-K125 IonicContact OD2-NZ 3.72Å; D120-K125 PolarHBondContact OD2-NZ 3.02Å | ||
| 121 | S | 52.9 | Low | 68.1 | Low | 62 Ų | 62 | 63.5 Ų | 63.5 | 43% | 0.434 | 31% | 0.311 | S | S | . | . | trans | -147.3 | 111.1 | 171.9 | -179.8 | 0 | 0 | 0 | 0 | 110.6 | Q119 W123 E124 K125 | Q119-S121 PolarHBondContact O-N 3.07Å; S121-W123 PolarHBondContact O-N 3.36Å; S121-E124 PolarHBondContact O-N 3.27Å; S121-K125 PolarHBondContact O-N 3.29Å | ||
| 122 | F | 52.9 | Low | 66.8 | Low | 146 Ų | 146 | 64 Ų | 64 | 64% | 0.64 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -56.3 | -49.8 | -171.2 | 178.1 | -98.4 | 0 | 0 | 0 | 113.5 | E124 K125 H126 | F122-E124 VanDerWaalsContact C-N 3.27Å; F122-E124 PolarHBondContact O-N 2.96Å; F122-K125 WeakPolarHBondContact O-CB 3.49Å; F122-K125 PolarHBondContact O-N 3.2Å; F122-H126 PolarHBondContact O-N 3.41Å; F122-H126 VanDerWaalsContact O-N 3.1Å |
| 123 | W | 51.1 | Low | 65.8 | Low | 190 Ų | 190 | 66.1 Ų | 66.1 | 72% | 0.72 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -66.1 | -25.9 | -174.7 | -68.5 | 112.2 | 0 | 0 | 0 | 113.9 | S121 K127 | S121-W123 PolarHBondContact O-N 3.36Å; W123-K127 WeakPolarHBondContact O-CG 3.32Å; W123-K127 PolarHBondContact O-N 3.27Å |
| 124 | E | 57.8 | Low | 65.1 | Low | 75 Ų | 75 | 73.8 Ų | 73.8 | 35% | 0.35 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -84.5 | -36.2 | 173.5 | -68 | -143.9 | 135 | 0 | 0 | 113 | K118 S121 F122 H126 K127 A128 | K118-E124 IonicContact NZ-OE2 3.89Å; K118-E124 PolarHBondContact NZ-OE2 3.42Å; S121-E124 PolarHBondContact O-N 3.27Å; F122-E124 VanDerWaalsContact C-N 3.27Å; F122-E124 PolarHBondContact O-N 2.96Å; E124-H126 VanDerWaalsContact C-N 3.25Å; E124-H126 PolarHBondContact O-N 3.49Å; E124-K127 PolarHBondContact O-N 3.48Å; E124-A128 PolarHBondContact O-N 3.03Å |
| 125 | K | 58.4 | Low | 64.7 | Low | 62 Ų | 62 | 75.8 Ų | 75.8 | 27% | 0.27 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -53.7 | -45.5 | 170.7 | -99.6 | 175.1 | 175.2 | 169.8 | 0 | 110.6 | D120 S121 F122 A128 T129 C141 | D120-K125 WeakPolarHBondContact OD1-CE 3.46Å; D120-K125 IonicContact OD1-NZ 2.69Å; D120-K125 PolarHBondContact OD1-NZ 2.79Å; D120-K125 IonicContact OD2-NZ 3.72Å; D120-K125 PolarHBondContact OD2-NZ 3.02Å; S121-K125 PolarHBondContact O-N 3.29Å; F122-K125 WeakPolarHBondContact O-CB 3.49Å; F122-K125 PolarHBondContact O-N 3.2Å; K125-A128 PolarHBondContact O-N 3.38Å; K125-T129 PolarHBondContact O-N 3.33Å; K125-T129 VanDerWaalsContact O-N 3.08Å; K125-T129 PolarHBondContact O-OG1 2.89Å; K125-C141 HydrophobicContact CG-CB 4.05Å |
| 126 | H | 61.8 | Low | 64.2 | Low | 109 Ų | 109 | 81.6 Ų | 81.6 | 51% | 0.505 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 177.6 | -164.6 | 88.9 | 0 | 0 | 0 | 112.6 | F122 E124 A128 T129 V130 | F122-H126 PolarHBondContact O-N 3.41Å; F122-H126 VanDerWaalsContact O-N 3.1Å; E124-H126 VanDerWaalsContact C-N 3.25Å; E124-H126 PolarHBondContact O-N 3.49Å; H126-A128 PolarHBondContact O-N 3.43Å; H126-T129 PolarHBondContact O-N 3.43Å; H126-V130 WeakPolarHBondContact O-CG2 3.36Å; H126-V130 PolarHBondContact O-N 3.44Å |
| 127 | K | 60.5 | Low | 64.1 | Low | 141 Ų | 141 | 82 Ų | 82 | 61% | 0.613 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.7 | -39.1 | 177.7 | -76.9 | 175.1 | -179.8 | 172 | 0 | 113.5 | W123 E124 A131 | W123-K127 WeakPolarHBondContact O-CG 3.32Å; W123-K127 PolarHBondContact O-N 3.27Å; E124-K127 PolarHBondContact O-N 3.48Å; K127-A131 WeakPolarHBondContact O-CB 3.41Å; K127-A131 PolarHBondContact O-N 3.02Å |
| 128 | A | 57.7 | Low | 63.9 | Low | 4 Ų | 4 | 84.1 Ų | 84.1 | 3% | 0.033 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.4 | -45.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | W93 L116 E124 K125 H126 A131 S132 | W93-A128 HydrophobicContact CE3-CB 4.26Å; W93-A128 HydrophobicContact CZ3-CB 4.29Å; L116-A128 HydrophobicContact CD1-CB 4.22Å; E124-A128 PolarHBondContact O-N 3.03Å; K125-A128 PolarHBondContact O-N 3.38Å; H126-A128 PolarHBondContact O-N 3.43Å; A128-A131 CarbonylContact O-C 3.59Å; A128-A131 PolarHBondContact O-N 3.37Å; A128-A131 VanDerWaalsContact O-N 3.14Å; A128-S132 PolarHBondContact O-N 2.95Å |
| 129 | T | 62.5 | Low | 64.5 | Low | 63 Ų | 63 | 84.4 Ų | 84.4 | 39% | 0.387 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.8 | -46.8 | -179.8 | -48.1 | 0 | 0 | 0 | 0 | 111.7 | K125 H126 A131 S132 | K125-T129 PolarHBondContact O-N 3.33Å; K125-T129 VanDerWaalsContact O-N 3.08Å; K125-T129 PolarHBondContact O-OG1 2.89Å; H126-T129 PolarHBondContact O-N 3.43Å; T129-A131 PolarHBondContact O-N 3.34Å; T129-S132 PolarHBondContact O-N 3.12Å; T129-S132 VanDerWaalsContact O-N 3.09Å; T129-S132 PolarHBondContact O-OG 3.48Å |
| 130 | V | 61.5 | Low | 65.6 | Low | 93 Ų | 93 | 78.6 Ų | 78.6 | 56% | 0.564 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.5 | -27.8 | 176 | 171.3 | 0 | 0 | 0 | 0 | 112.5 | H126 | H126-V130 WeakPolarHBondContact O-CG2 3.36Å; H126-V130 PolarHBondContact O-N 3.44Å |
| 131 | A | 58.7 | Low | 67.1 | Low | 22 Ų | 22 | 74.7 Ų | 74.7 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -87.5 | -16.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W93 K127 A128 T129 Y135 | W93-A131 HydrophobicContact CH2-CB 4.17Å; W93-A131 HydrophobicContact CZ2-CB 3.34Å; K127-A131 WeakPolarHBondContact O-CB 3.41Å; K127-A131 PolarHBondContact O-N 3.02Å; A128-A131 CarbonylContact O-C 3.59Å; A128-A131 PolarHBondContact O-N 3.37Å; A128-A131 VanDerWaalsContact O-N 3.14Å; T129-A131 PolarHBondContact O-N 3.34Å; A131-Y135 WeakPolarHBondContact O-CE2 3.37Å |
| 132 | S | 60.5 | Low | 68.5 | Low | 11 Ų | 11 | 72.1 Ų | 72.1 | 8% | 0.077 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.5 | -36.7 | -176.1 | 66.1 | 0 | 0 | 0 | 0 | 114.2 | A128 T129 K134 Y135 | A128-S132 PolarHBondContact O-N 2.95Å; T129-S132 PolarHBondContact O-N 3.12Å; T129-S132 VanDerWaalsContact O-N 3.09Å; T129-S132 PolarHBondContact O-OG 3.48Å; S132-K134 PolarHBondContact O-N 3.05Å; S132-Y135 WeakPolarHBondContact O-CD2 3.37Å; S132-Y135 PolarHBondContact O-N 3.23Å; S132-Y135 VanDerWaalsContact O-N 3.1Å |
| 133 | N | 63.4 | Low | 69.8 | Low | 112 Ų | 112 | 65.9 Ų | 65.9 | 60% | 0.599 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | 16 | -177.8 | -65.6 | 7.6 | 0 | 0 | 0 | 115.1 | ||
| 134 | K | 74.1 | Confident | 70.9 | Confident | 168 Ų | 168 | 57.7 Ų | 57.7 | 73% | 0.73 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109 | -6.6 | 174.6 | -61.8 | -167.5 | 176.9 | -169.7 | 0 | 113.5 | S132 | S132-K134 PolarHBondContact O-N 3.05Š|
| 135 | Y | 81.2 | Confident | 71.7 | Confident | 42 Ų | 42 | 60 Ų | 60 | 17% | 0.165 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -110.2 | 159.5 | -176.3 | -56.1 | -76.2 | 0 | 0 | 0 | 111.2 | F100 R101 Q104 A131 S132 F137 | F100-Y135 HydrophobicContact CB-CD1 4.29Å; F100-Y135 HydrophobicContact CB-CD2 4.47Å; F100-Y135 HydrophobicContact CB-CE1 3.79Å; F100-Y135 HydrophobicContact CB-CE2 3.99Å; F100-Y135 AromaticContact CD1-CD2 3.78Å; F100-Y135 HydrophobicContact CD1-CD2 3.78Å; F100-Y135 AromaticContact CD1-CE2 3.68Å; F100-Y135 HydrophobicContact CD1-CE2 3.68Å; F100-Y135 HydrophobicContact CD1-CG 4.38Å; F100-Y135 HydrophobicContact CG-CE2 4.35Å; R101-Y135 HydrophobicContact CG-CE1 4.43Å; Q104-Y135 HydrophobicContact CB-CD1 3.93Å; Q104-Y135 HydrophobicContact CB-CE1 4.49Å; Q104-Y135 HydrophobicContact CG-CD1 4.13Å; A131-Y135 WeakPolarHBondContact O-CE2 3.37Å; S132-Y135 WeakPolarHBondContact O-CD2 3.37Å; S132-Y135 PolarHBondContact O-N 3.23Å; S132-Y135 VanDerWaalsContact O-N 3.1Å; Y135-F137 VanDerWaalsContact C-N 3.33Å; Y135-F137 HydrophobicContact CD1-CE1 4.35Å; Y135-F137 AromaticContact CD1-CZ 3.89Å; Y135-F137 HydrophobicContact CD1-CZ 3.89Å; Y135-F137 HydrophobicContact CD2-CE2 4.47Å; Y135-F137 HydrophobicContact CD2-CZ 4.5Å; Y135-F137 HydrophobicContact CG-CE1 4.38Å; Y135-F137 HydrophobicContact CG-CE2 4.01Å; Y135-F137 AromaticContact CG-CZ 3.74Å; Y135-F137 HydrophobicContact CG-CZ 3.74Å |
| 136 | K | 79.6 | Confident | 72.7 | Confident | 142 Ų | 142 | 59.3 Ų | 59.3 | 62% | 0.617 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -85.5 | -5 | -179.3 | -74.3 | -178.5 | 173.1 | -176.4 | 0 | 114 | P108 | P108-K136 HydrophobicContact CB-CD 3.99Š|
| 137 | F | 85.5 | Confident | 73.8 | Confident | 10 Ų | 10 | 54.1 Ų | 54.1 | 4% | 0.044 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -111.9 | 152.5 | 177.8 | 48.5 | -104.2 | 0 | 0 | 0 | 110 | F100 L103 Q104 V111 V114 Y135 V139 | F100-F137 HydrophobicContact CB-CZ 4.1Å; F100-F137 AromaticContact CD1-CE2 3.77Å; F100-F137 HydrophobicContact CD1-CE2 3.77Å; F100-F137 HydrophobicContact CD1-CZ 4.11Å; F100-F137 HydrophobicContact CE1-CE2 4.1Å; F100-F137 HydrophobicContact CG-CE2 4.18Å; F100-F137 HydrophobicContact CG-CZ 4.16Å; F100-F137 WeakPolarHBondContact O-CZ 3.44Å; L103-F137 HydrophobicContact CB-CE1 3.85Å; L103-F137 HydrophobicContact CB-CZ 4.28Å; Q104-F137 HydrophobicContact CB-CE1 4.15Å; V111-F137 HydrophobicContact CB-CB 4.12Å; V111-F137 HydrophobicContact CB-CD1 4.15Å; V111-F137 HydrophobicContact CB-CG 4.38Å; V111-F137 HydrophobicContact CG1-CB 3.78Å; V111-F137 HydrophobicContact CG1-CD1 4.15Å; V111-F137 HydrophobicContact CG1-CG 3.98Å; V111-F137 WeakPolarHBondContact O-CB 3.31Å; V114-F137 HydrophobicContact CB-CD2 4.21Å; V114-F137 HydrophobicContact CB-CE2 4.43Å; V114-F137 HydrophobicContact CG2-CB 4.45Å; V114-F137 HydrophobicContact CG2-CD2 3.36Å; V114-F137 HydrophobicContact CG2-CE2 3.68Å; V114-F137 HydrophobicContact CG2-CG 3.95Å; V114-F137 HydrophobicContact CG2-CZ 4.49Å; Y135-F137 VanDerWaalsContact C-N 3.33Å; Y135-F137 HydrophobicContact CD1-CE1 4.35Å; Y135-F137 AromaticContact CD1-CZ 3.89Å; Y135-F137 HydrophobicContact CD1-CZ 3.89Å; Y135-F137 HydrophobicContact CD2-CE2 4.47Å; Y135-F137 HydrophobicContact CD2-CZ 4.5Å; Y135-F137 HydrophobicContact CG-CE1 4.38Å; Y135-F137 HydrophobicContact CG-CE2 4.01Å; Y135-F137 AromaticContact CG-CZ 3.74Å; Y135-F137 HydrophobicContact CG-CZ 3.74Å; F137-V139 HydrophobicContact CD2-CG2 3.99Å; F137-V139 HydrophobicContact CE2-CG2 4.01Å |
| 138 | E | 81.4 | Confident | 74.8 | Confident | 45 Ų | 45 | 51.2 Ų | 51.2 | 21% | 0.21 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | 152.7 | 176.2 | -58.5 | 171.2 | -170.5 | 0 | 0 | 111.4 | L112 A113 V114 H140 P2384 | L112-E138 PolarHBondContact O-N 2.64Å; A113-E138 HydrophobicContact CB-CB 4.3Å; V114-E138 PolarHBondContact N-O 3.48Å; E138-H140 WeakPolarHBondContact CB-NE2 3.43Å; E138-H140 IonicContact OE2-CD2 2.8Å; E138-H140 IonicContact OE2-CE1 3.83Å; E138-H140 IonicContact OE2-NE2 2.69Å; E138-H140 PolarHBondContact OE2-NE2 3.13Å; E138-P2384 HydrophobicContact CG-CG 4.36Å; E138-P2384 WeakPolarHBondContact OE2-CG 3.46Å |
| 139 | V | 84.6 | Confident | 76 | Confident | 22 Ų | 22 | 57 Ų | 57 | 13% | 0.133 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 117.6 | -178 | -176 | 0 | 0 | 0 | 0 | 110.1 | F100 V114 L116 F137 | F100-V139 HydrophobicContact CD1-CG2 4.33Å; F100-V139 HydrophobicContact CE1-CB 4.25Å; F100-V139 HydrophobicContact CE1-CG1 3.63Å; F100-V139 HydrophobicContact CE1-CG2 3.54Å; F100-V139 HydrophobicContact CZ-CG1 3.75Å; F100-V139 HydrophobicContact CZ-CG2 4.26Å; V114-V139 WeakPolarHBondContact O-CA 3.26Å; L116-V139 HydrophobicContact CD1-CG1 3.78Å; L116-V139 HydrophobicContact CG-CG1 4.21Å; F137-V139 HydrophobicContact CD2-CG2 3.99Å; F137-V139 HydrophobicContact CE2-CG2 4.01Å |
| 140 | H | 81.6 | Confident | 77 | Confident | 12 Ų | 12 | 55.3 Ų | 55.3 | 6% | 0.056 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 109.3 | -166.4 | -67.3 | -44.3 | 0 | 0 | 0 | 111.2 | V114 Y115 L116 E138 V142 I2385 | V114-H140 PolarHBondContact O-N 3.47Å; Y115-H140 CarbonylContact C-O 3.56Å; Y115-H140 WeakPolarHBondContact CA-O 3.26Å; Y115-H140 HydrophobicContact CD1-CB 3.51Å; Y115-H140 HydrophobicContact CE1-CB 3.82Å; Y115-H140 AromaticContact CE1-CD2 3.67Å; Y115-H140 HydrophobicContact CG-CB 4.36Å; L116-H140 PolarHBondContact N-O 3.27Å; E138-H140 WeakPolarHBondContact CB-NE2 3.43Å; E138-H140 IonicContact OE2-CD2 2.8Å; E138-H140 IonicContact OE2-CE1 3.83Å; E138-H140 IonicContact OE2-NE2 2.69Å; E138-H140 PolarHBondContact OE2-NE2 3.13Å; H140-V142 HydrophobicContact CB-CG2 4.22Å; H140-V142 PolarHBondContact O-N 3.1Å; H140-I2385 HydrophobicContact CB-CD1 3.5Å; H140-I2385 WeakPolarHBondContact ND1-CD1 3.41Å |
| 141 | C | 81.6 | Confident | 78.3 | Confident | 37 Ų | 37 | 50.9 Ų | 50.9 | 25% | 0.25 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 114.1 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | L116 K125 | L116-C141 WeakPolarHBondContact O-CA 3.32Å; K125-C141 HydrophobicContact CG-CB 4.05Å |
| 142 | V | 81.5 | Confident | 79.5 | Confident | 9 Ų | 9 | 51.9 Ų | 51.9 | 6% | 0.055 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 146.3 | -172.1 | -160.2 | 0 | 0 | 0 | 0 | 110.5 | Y115 L116 V117 K118 H140 N146 Y150 | Y115-V142 HydrophobicContact CD1-CG2 3.82Å; L116-V142 PolarHBondContact O-N 3.49Å; V117-V142 WeakPolarHBondContact CA-O 3.49Å; K118-V142 PolarHBondContact N-O 3.01Å; H140-V142 HydrophobicContact CB-CG2 4.22Å; H140-V142 PolarHBondContact O-N 3.1Å; V142-N146 HydrophobicContact CG1-CB 3.44Å; V142-N146 VanDerWaalsContact CG1-CB 3.44Å; V142-Y150 HydrophobicContact CG1-CE2 4.04Å; V142-Y150 HydrophobicContact CG2-CE2 4.24Å |
| 143 | S | 80.5 | Confident | 80.7 | Confident | 15 Ų | 15 | 53.1 Ų | 53.1 | 11% | 0.105 | 26% | 0.257 | C | S | . | . | trans | -80.2 | 156.4 | 167 | 71.7 | 0 | 0 | 0 | 0 | 109.8 | E145 N146 L147 | S143-E145 VanDerWaalsContact C-N 3.33Å; S143-E145 WeakPolarHBondContact CB-OE2 3.23Å; S143-E145 PolarHBondContact O-N 3.48Å; S143-E145 PolarHBondContact OG-OE2 3.17Å; S143-N146 PolarHBondContact O-N 3.16Å; S143-N146 VanDerWaalsContact O-N 3.08Å; S143-N146 PolarHBondContact OG-ND2 3.01Å; S143-L147 PolarHBondContact O-N 3.17Å | ||
| 144 | P | 74 | Confident | 81.8 | Confident | 18 Ų | 18 | 52 Ų | 52 | 12% | 0.117 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -53.8 | -45.8 | -177.9 | 19 | -31.3 | 0 | 0 | 0 | 113.1 | V117 N146 L147 D161 | V117-P144 HydrophobicContact CG1-CB 4.39Å; P144-N146 PolarHBondContact O-N 3.46Å; P144-L147 WeakPolarHBondContact O-CB 3.3Å; P144-L147 PolarHBondContact O-N 3.04Å; P144-D161 WeakPolarHBondContact CB-OD2 3.32Å |
| 145 | E | 75.2 | Confident | 82.6 | Confident | 124 Ų | 124 | 46.1 Ų | 46.1 | 58% | 0.579 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -66.2 | -27.4 | -178.6 | -27.5 | 79.5 | 173 | 0 | 0 | 112.5 | S143 L147 | S143-E145 VanDerWaalsContact C-N 3.33Å; S143-E145 WeakPolarHBondContact CB-OE2 3.23Å; S143-E145 PolarHBondContact O-N 3.48Å; S143-E145 PolarHBondContact OG-OE2 3.17Å; E145-L147 VanDerWaalsContact C-N 3.34Å |
| 146 | N | 80 | Confident | 82.9 | Confident | 47 Ų | 47 | 44.2 Ų | 44.2 | 25% | 0.251 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -82 | -9.9 | 176.4 | -82.3 | -82.2 | 0 | 0 | 0 | 113.3 | V142 S143 P144 H148 K149 Y150 | V142-N146 HydrophobicContact CG1-CB 3.44Å; V142-N146 VanDerWaalsContact CG1-CB 3.44Å; S143-N146 PolarHBondContact O-N 3.16Å; S143-N146 VanDerWaalsContact O-N 3.08Å; S143-N146 PolarHBondContact OG-ND2 3.01Å; P144-N146 PolarHBondContact O-N 3.46Å; N146-H148 VanDerWaalsContact C-N 3.29Å; N146-H148 PolarHBondContact O-N 3.22Å; N146-K149 WeakPolarHBondContact O-CB 3.43Å; N146-K149 PolarHBondContact O-N 3.11Å; N146-K149 PolarHBondContact OD1-NZ 3.43Å; N146-Y150 WeakPolarHBondContact O-CE2 3.25Å |
| 147 | L | 83.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -67.5 | -31.5 | 179.4 | -168.9 | 61.7 | 0 | 0 | 0 | 112.1 | L84 Y115 V117 S143 P144 E145 K149 Y150 I151 L156 F160 | L84-L147 HydrophobicContact CD1-CD2 4.37Å; L84-L147 HydrophobicContact CD2-CD1 3.95Å; Y115-L147 HydrophobicContact CG-CD1 4.46Å; V117-L147 HydrophobicContact CG2-CD2 4.14Å; S143-L147 PolarHBondContact O-N 3.17Å; P144-L147 WeakPolarHBondContact O-CB 3.3Å; P144-L147 PolarHBondContact O-N 3.04Å; E145-L147 VanDerWaalsContact C-N 3.34Å; L147-K149 PolarHBondContact O-N 3.46Å; L147-Y150 PolarHBondContact O-N 3.09Å; L147-I151 PolarHBondContact O-N 3.44Å; L147-L156 HydrophobicContact CB-CD1 4.41Å; L147-L156 HydrophobicContact CD2-CD1 4.05Å; L147-L156 HydrophobicContact CD2-CD2 3.63Å; L147-L156 HydrophobicContact CG-CD1 4.02Å; L147-L156 HydrophobicContact CG-CD2 4.11Å; L147-F160 HydrophobicContact CD2-CB 4.07Å; L147-F160 HydrophobicContact CD2-CD1 3.93Å; L147-F160 HydrophobicContact CD2-CG 4.29Å |
| 148 | H | 83.3 | Confident | 83.2 | Confident | 79 Ų | 79 | 41.1 Ų | 41.1 | 37% | 0.366 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -14.8 | 177.7 | -62.2 | -179.5 | 0 | 0 | 0 | 114.2 | R39 N146 I151 P153 D161 | R39-H148 PolarHBondContact NH2-O 3.47Å; N146-H148 VanDerWaalsContact C-N 3.29Å; N146-H148 PolarHBondContact O-N 3.22Å; H148-I151 CarbonylContact C-O 3.5Å; H148-I151 VanDerWaalsContact C-O 3.26Å; H148-I151 VanDerWaalsContact CA-O 3.25Å; H148-I151 WeakPolarHBondContact CA-O 3.48Å; H148-I151 VanDerWaalsContact O-O 3.09Å; H148-P153 HydrophobicContact CB-CG 4Å; H148-D161 PolarHBondContact NE2-O 3.21Å |
| 149 | K | 82.7 | Confident | 83.2 | Confident | 127 Ų | 127 | 43.3 Ų | 43.3 | 55% | 0.552 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -30.7 | 177 | -65.3 | 174.1 | 179.2 | 171.5 | 0 | 112.4 | R39 N146 L147 | R39-K149 PolarHBondContact NE-O 3.21Å; N146-K149 WeakPolarHBondContact O-CB 3.43Å; N146-K149 PolarHBondContact O-N 3.11Å; N146-K149 PolarHBondContact OD1-NZ 3.43Å; L147-K149 PolarHBondContact O-N 3.46Å |
| 150 | Y | 82.5 | Confident | 83.2 | Confident | 26 Ų | 26 | 42.3 Ų | 42.3 | 10% | 0.102 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.2 | -35.3 | -174.7 | -49.9 | -74.4 | 0 | 0 | 0 | 112.9 | R39 Y115 V142 N146 L147 I2385 | R39-Y150 WeakPolarHBondContact CG-O 3.29Å; R39-Y150 PolarHBondContact N-O 3.45Å; Y115-Y150 HydrophobicContact CD1-CD2 4.23Å; Y115-Y150 HydrophobicContact CD1-CG 4.38Å; Y115-Y150 AromaticContact CE1-CD1 3.85Å; Y115-Y150 HydrophobicContact CE1-CD1 3.85Å; Y115-Y150 AromaticContact CE1-CD2 3.74Å; Y115-Y150 HydrophobicContact CE1-CD2 3.74Å; Y115-Y150 HydrophobicContact CE1-CE1 4.42Å; Y115-Y150 HydrophobicContact CE1-CE2 4.32Å; Y115-Y150 AromaticContact CE1-CG 3.5Å; Y115-Y150 HydrophobicContact CE1-CG 3.5Å; Y115-Y150 AromaticContact CZ-CG 3.78Å; V142-Y150 HydrophobicContact CG1-CE2 4.04Å; V142-Y150 HydrophobicContact CG2-CE2 4.24Å; N146-Y150 WeakPolarHBondContact O-CE2 3.25Å; L147-Y150 PolarHBondContact O-N 3.09Å; Y150-I2385 HydrophobicContact CE1-CD1 3.76Å; Y150-I2385 HydrophobicContact CE1-CG1 3.76Å; Y150-I2385 HydrophobicContact CE2-CD1 4.17Å; Y150-I2385 WeakPolarHBondContact OH-CD1 3.28Å; Y150-I2385 WeakPolarHBondContact OH-CG2 3.2Å |
| 151 | I | 88 | Confident | 83.1 | Confident | 1 Ų | 1 | 46.2 Ų | 46.2 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -124.2 | 141.7 | 175.1 | -55.3 | 179 | 0 | 0 | 0 | 106.8 | D38 V44 V82 L84 L147 H148 Q155 L156 | D38-I151 HydrophobicContact CB-CG1 4.22Å; V44-I151 HydrophobicContact CG1-CD1 3.92Å; V44-I151 HydrophobicContact CG2-CD1 3.9Å; V82-I151 HydrophobicContact CG1-CD1 4.45Å; L84-I151 HydrophobicContact CD1-CD1 3.93Å; L84-I151 HydrophobicContact CD2-CD1 3.73Å; L84-I151 HydrophobicContact CG-CD1 4.08Å; L147-I151 PolarHBondContact O-N 3.44Å; H148-I151 CarbonylContact C-O 3.5Å; H148-I151 VanDerWaalsContact C-O 3.26Å; H148-I151 VanDerWaalsContact CA-O 3.25Å; H148-I151 WeakPolarHBondContact CA-O 3.48Å; H148-I151 VanDerWaalsContact O-O 3.09Å; I151-Q155 HydrophobicContact CG2-CB 3.69Å; I151-L156 HydrophobicContact CB-CD1 4.43Å; I151-L156 HydrophobicContact CB-CD2 4.02Å; I151-L156 HydrophobicContact CB-CG 4.09Å; I151-L156 HydrophobicContact CD1-CD2 4.19Å; I151-L156 HydrophobicContact CG2-CD2 3.89Å; I151-L156 HydrophobicContact CG2-CG 3.8Å |
| 152 | D | 85.6 | Confident | 83.2 | Confident | 43 Ų | 43 | 45 Ų | 45 | 23% | 0.23 | 24% | 0.243 | C | C | . | . | trans | -71.9 | 144.1 | -179.8 | -158.1 | -85.1 | 0 | 0 | 0 | 111.5 | R39 N154 Q155 L156 | R39-D152 IonicContact CZ-OD2 3.89Å; R39-D152 IonicContact NH1-OD2 3.63Å; R39-D152 PolarHBondContact NH1-OD2 2.78Å; R39-D152 IonicContact NH2-OD2 2.77Å; R39-D152 PolarHBondContact NH2-OD2 3.43Å; D152-N154 PolarHBondContact O-N 3.36Å; D152-N154 VanDerWaalsContact O-N 3.08Å; D152-N154 PolarHBondContact OD1-N 3.21Å; D152-N154 VanDerWaalsContact OD1-N 3.11Å; D152-N154 PolarHBondContact OD1-ND2 3.09Å; D152-N154 PolarHBondContact OD1-OD1 2.66Å; D152-Q155 HydrophobicContact CB-CG 4.45Å; D152-Q155 CarbonylContact O-C 3.53Å; D152-Q155 WeakPolarHBondContact O-CA 3.49Å; D152-Q155 PolarHBondContact O-N 3.15Å; D152-L156 PolarHBondContact O-N 2.95Å; D152-L156 VanDerWaalsContact O-N 3.17Å | ||
| 153 | P | 85.5 | Confident | 83.3 | Confident | 37 Ų | 37 | 49.6 Ų | 49.6 | 24% | 0.24 | 27% | 0.271 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -53.4 | -25.4 | 172.5 | -29 | 36 | 0 | 0 | 0 | 114.5 | H148 Q155 T163 | H148-P153 HydrophobicContact CB-CG 4Å; P153-Q155 VanDerWaalsContact C-N 3.28Å; P153-T163 PolarHBondContact O-N 3.45Å; P153-T163 PolarHBondContact O-OG1 3.37Å |
| 154 | N | 86.5 | Confident | 83.6 | Confident | 87 Ų | 87 | 49.3 Ų | 49.3 | 47% | 0.465 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 1.4 | 173.3 | 73.7 | 25.8 | 0 | 0 | 0 | 114.7 | D152 T163 Y164 | D152-N154 PolarHBondContact O-N 3.36Å; D152-N154 VanDerWaalsContact O-N 3.08Å; D152-N154 PolarHBondContact OD1-N 3.21Å; D152-N154 VanDerWaalsContact OD1-N 3.11Å; D152-N154 PolarHBondContact OD1-ND2 3.09Å; D152-N154 PolarHBondContact OD1-OD1 2.66Å; N154-T163 WeakPolarHBondContact CA-OG1 3.47Å; N154-Y164 WeakPolarHBondContact O-CD2 3.5Å |
| 155 | Q | 89.9 | Confident | 83.9 | Confident | 45 Ų | 45 | 51.3 Ų | 51.3 | 21% | 0.21 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -118.1 | -4.2 | 172.5 | -65.3 | -61.1 | -75.2 | 0 | 0 | 112.8 | A36 R37 I151 D152 P153 | A36-Q155 HydrophobicContact CB-CB 4.36Å; A36-Q155 WeakPolarHBondContact CB-O 3.41Å; R37-Q155 WeakPolarHBondContact O-CB 3.31Å; R37-Q155 WeakPolarHBondContact O-CG 3.09Å; I151-Q155 HydrophobicContact CG2-CB 3.69Å; D152-Q155 HydrophobicContact CB-CG 4.45Å; D152-Q155 CarbonylContact O-C 3.53Å; D152-Q155 WeakPolarHBondContact O-CA 3.49Å; D152-Q155 PolarHBondContact O-N 3.15Å; P153-Q155 VanDerWaalsContact C-N 3.28Å |
| 156 | L | 87.3 | Confident | 84.5 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -93.9 | 138.8 | 173.8 | -72.3 | 167.9 | 0 | 0 | 0 | 110.7 | L84 L147 I151 D152 F160 G162 T163 Y164 | L84-L156 HydrophobicContact CD1-CD2 3.79Å; L147-L156 HydrophobicContact CB-CD1 4.41Å; L147-L156 HydrophobicContact CD2-CD1 4.05Å; L147-L156 HydrophobicContact CD2-CD2 3.63Å; L147-L156 HydrophobicContact CG-CD1 4.02Å; L147-L156 HydrophobicContact CG-CD2 4.11Å; I151-L156 HydrophobicContact CB-CD1 4.43Å; I151-L156 HydrophobicContact CB-CD2 4.02Å; I151-L156 HydrophobicContact CB-CG 4.09Å; I151-L156 HydrophobicContact CD1-CD2 4.19Å; I151-L156 HydrophobicContact CG2-CD2 3.89Å; I151-L156 HydrophobicContact CG2-CG 3.8Å; D152-L156 PolarHBondContact O-N 2.95Å; D152-L156 VanDerWaalsContact O-N 3.17Å; L156-F160 HydrophobicContact CB-CB 4.49Å; L156-F160 HydrophobicContact CD2-CB 4.26Å; L156-G162 CarbonylContact O-C 3.58Å; L156-G162 VanDerWaalsContact O-C 3.26Å; L156-G162 VanDerWaalsContact O-CA 3.29Å; L156-G162 WeakPolarHBondContact O-CA 3.33Å; L156-T163 PolarHBondContact O-N 3.11Å; L156-Y164 VanDerWaalsContact O-CB 3.22Å; L156-Y164 WeakPolarHBondContact O-CB 3.22Å; L156-Y164 PolarHBondContact O-N 2.84Å |
| 157 | T | 88 | Confident | 84.8 | Confident | 9 Ų | 9 | 50 Ų | 50 | 6% | 0.055 | 27% | 0.274 | C | S | . | . | trans | -72.5 | 162.4 | 173.7 | 57.5 | 0 | 0 | 0 | 0 | 111.1 | T34 D159 F160 G162 Y164 Y166 | T34-T157 HydrophobicContact CG2-CG2 3.88Å; T157-D159 VanDerWaalsContact CB-OD2 3.28Å; T157-D159 WeakPolarHBondContact CB-OD2 3.47Å; T157-D159 PolarHBondContact O-N 3.43Å; T157-D159 VanDerWaalsContact O-N 3.09Å; T157-D159 PolarHBondContact OG1-OD2 2.94Å; T157-F160 PolarHBondContact O-N 3.47Å; T157-G162 PolarHBondContact O-N 3.04Å; T157-Y164 HydrophobicContact CG2-CD1 4.22Å; T157-Y166 HydrophobicContact CG2-CD1 4.32Å; T157-Y166 HydrophobicContact CG2-CG 4.29Å | ||
| 158 | A | 84.1 | Confident | 85 | Confident | 78 Ų | 78 | 50.1 Ų | 50.1 | 65% | 0.645 | 28% | 0.275 | S | S | * | . | G | 310 helix | trans | -56.4 | -27.2 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F160 D161 | A158-F160 PolarHBondContact O-N 3.13Å; A158-D161 PolarHBondContact O-N 2.95Å |
| 159 | D | 80.9 | Confident | 85.2 | Confident | 91 Ų | 91 | 51 Ų | 51 | 49% | 0.487 | 28% | 0.279 | S | S | . | . | G | 310 helix | trans | -60.9 | -28.9 | 176.2 | -31.3 | -86.4 | 0 | 0 | 0 | 112.3 | R88 T157 | R88-D159 PolarHBondContact NH1-O 2.71Å; R88-D159 PolarHBondContact NH2-O 3.39Å; T157-D159 VanDerWaalsContact CB-OD2 3.28Å; T157-D159 WeakPolarHBondContact CB-OD2 3.47Å; T157-D159 PolarHBondContact O-N 3.43Å; T157-D159 VanDerWaalsContact O-N 3.09Å; T157-D159 PolarHBondContact OG1-OD2 2.94Å |
| 160 | F | 84.8 | Confident | 85.4 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -109.3 | 33.1 | -178 | -63.1 | -88.7 | 0 | 0 | 0 | 111.8 | T46 D86 V117 L147 L156 T157 A158 G162 | T46-F160 HydrophobicContact CG2-CD2 4.33Å; T46-F160 HydrophobicContact CG2-CE2 3.37Å; T46-F160 HydrophobicContact CG2-CZ 3.79Å; D86-F160 HydrophobicContact CB-CE1 4.08Å; D86-F160 HydrophobicContact CB-CZ 4.02Å; V117-F160 HydrophobicContact CB-CE1 4.22Å; V117-F160 HydrophobicContact CG1-CD1 4.46Å; V117-F160 HydrophobicContact CG2-CD1 3.93Å; V117-F160 HydrophobicContact CG2-CE1 3.77Å; L147-F160 HydrophobicContact CD2-CB 4.07Å; L147-F160 HydrophobicContact CD2-CD1 3.93Å; L147-F160 HydrophobicContact CD2-CG 4.29Å; L156-F160 HydrophobicContact CB-CB 4.49Å; L156-F160 HydrophobicContact CD2-CB 4.26Å; T157-F160 PolarHBondContact O-N 3.47Å; A158-F160 PolarHBondContact O-N 3.13Å; F160-G162 PolarHBondContact O-N 2.75Å; F160-G162 VanDerWaalsContact O-N 3.14Å |
| 161 | D | 78.7 | Confident | 85.8 | Confident | 94 Ų | 94 | 49.2 Ų | 49.2 | 50% | 0.503 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.3 | 23.1 | 178.5 | -54.2 | -62 | 0 | 0 | 0 | 113.9 | R88 P144 H148 A158 | R88-D161 IonicContact NH1-OD2 2.62Å; P144-D161 WeakPolarHBondContact CB-OD2 3.32Å; H148-D161 PolarHBondContact NE2-O 3.21Å; A158-D161 PolarHBondContact O-N 2.95Å |
| 162 | G | 84.5 | Confident | 85.8 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 11% | 0.113 | 27% | 0.274 | C | S | . | . | trans | -99.7 | -178.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | L156 T157 F160 | L156-G162 CarbonylContact O-C 3.58Å; L156-G162 VanDerWaalsContact O-C 3.26Å; L156-G162 VanDerWaalsContact O-CA 3.29Å; L156-G162 WeakPolarHBondContact O-CA 3.33Å; T157-G162 PolarHBondContact O-N 3.04Å; F160-G162 PolarHBondContact O-N 2.75Å; F160-G162 VanDerWaalsContact O-N 3.14Å | ||
| 163 | T | 84.5 | Confident | 86 | Confident | 105 Ų | 105 | 50.4 Ų | 50.4 | 64% | 0.644 | 28% | 0.284 | S | S | * | . | trans | -124.8 | 2.8 | -172.5 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | P153 N154 L156 P165 | P153-T163 PolarHBondContact O-N 3.45Å; P153-T163 PolarHBondContact O-OG1 3.37Å; N154-T163 WeakPolarHBondContact CA-OG1 3.47Å; L156-T163 PolarHBondContact O-N 3.11Å; T163-P165 WeakPolarHBondContact O-CD 3.12Å | ||
| 164 | Y | 86.3 | Confident | 86.1 | Confident | 10 Ų | 10 | 49.3 Ų | 49.3 | 4% | 0.039 | 28% | 0.276 | C | S | . | . | trans | -69.2 | 120.7 | 175.5 | -177.4 | -91.3 | 0 | 0 | 0 | 110.3 | T34 G35 A36 N154 L156 T157 Y166 | T34-Y164 VanDerWaalsContact O-CE1 3.27Å; T34-Y164 WeakPolarHBondContact O-CE1 3.35Å; T34-Y164 PolarHBondContact O-OH 3.11Å; G35-Y164 WeakPolarHBondContact CA-OH 3.4Å; A36-Y164 PolarHBondContact N-OH 3.12Å; N154-Y164 WeakPolarHBondContact O-CD2 3.5Å; L156-Y164 VanDerWaalsContact O-CB 3.22Å; L156-Y164 WeakPolarHBondContact O-CB 3.22Å; L156-Y164 PolarHBondContact O-N 2.84Å; T157-Y164 HydrophobicContact CG2-CD1 4.22Å; Y164-Y166 PolarHBondContact O-N 3.02Å | ||
| 165 | P | 80.9 | Confident | 86.3 | Confident | 60 Ų | 60 | 46.4 Ų | 46.4 | 39% | 0.39 | 26% | 0.259 | S | S | . | . | trans | -73.5 | 123.3 | 179.6 | 29.5 | -32.5 | 0 | 0 | 0 | 110.7 | T163 Y269 P270 | T163-P165 WeakPolarHBondContact O-CD 3.12Å; P165-Y269 HydrophobicContact CB-CD1 4.47Å; P165-Y269 HydrophobicContact CG-CD1 4.31Å; P165-P270 HydrophobicContact CG-CG 3.89Å | ||
| 166 | Y | 86.6 | Confident | 86.2 | Confident | 53 Ų | 53 | 47 Ų | 47 | 21% | 0.208 | 26% | 0.262 | C | S | . | . | trans | -147 | 116.6 | 175 | 176.9 | -102.3 | 0 | 0 | 0 | 110.4 | L32 T34 T157 Y164 H168 W171 | L32-Y166 HydrophobicContact CD1-CE1 4.15Å; T34-Y166 HydrophobicContact CG2-CD1 3.92Å; T34-Y166 HydrophobicContact CG2-CD2 4.1Å; T34-Y166 HydrophobicContact CG2-CE1 3.98Å; T34-Y166 HydrophobicContact CG2-CE2 4.17Å; T34-Y166 HydrophobicContact CG2-CG 3.97Å; T157-Y166 HydrophobicContact CG2-CD1 4.32Å; T157-Y166 HydrophobicContact CG2-CG 4.29Å; Y164-Y166 PolarHBondContact O-N 3.02Å; Y166-H168 HydrophobicContact CE1-CB 3.89Å; Y166-H168 AromaticContact CZ-ND1 3.93Å; Y166-H168 PolarHBondContact OH-ND1 3.09Å; Y166-W171 HydrophobicContact CE2-CB 3.84Å; Y166-W171 AromaticContact CE2-CD1 3.86Å; Y166-W171 AromaticContact CE2-CG 3.84Å; Y166-W171 HydrophobicContact CE2-CG 3.84Å | ||
| 167 | D | 85.9 | Confident | 86.4 | Confident | 89 Ų | 89 | 48.2 Ų | 48.2 | 48% | 0.476 | 27% | 0.272 | S | S | . | . | trans | -105.3 | 124.8 | 164 | -174.5 | -18 | 0 | 0 | 0 | 108.5 | E169 E170 W171 | D167-E169 PolarHBondContact OD1-N 3.43Å; D167-E170 HydrophobicContact CB-CB 3.98Å; D167-E170 PolarHBondContact OD1-N 2.95Å; D167-W171 VanDerWaalsContact O-CB 3.3Å; D167-W171 WeakPolarHBondContact O-CB 3.43Å; D167-W171 PolarHBondContact O-N 3.07Å | ||
| 168 | H | 89.2 | Confident | 86.4 | Confident | 4 Ų | 4 | 47.8 Ų | 47.8 | 2% | 0.019 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -72.4 | -34.2 | 178.3 | -174.7 | 57.8 | 0 | 0 | 0 | 113.1 | L26 L32 Y166 W171 L172 | L26-H168 PolarHBondContact O-NE2 3.32Å; L26-H168 VanDerWaalsContact O-NE2 3.1Å; L32-H168 WeakPolarHBondContact CD2-ND1 3.49Å; Y166-H168 HydrophobicContact CE1-CB 3.89Å; Y166-H168 AromaticContact CZ-ND1 3.93Å; Y166-H168 PolarHBondContact OH-ND1 3.09Å; H168-W171 PolarHBondContact O-N 3.1Å; H168-L172 WeakPolarHBondContact O-CB 3.48Å; H168-L172 PolarHBondContact O-N 3.3Å |
| 169 | E | 87.9 | Confident | 86.7 | Confident | 96 Ų | 96 | 44.4 Ų | 44.4 | 45% | 0.449 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -70.3 | -39.4 | 179.2 | -58 | -54 | 132.9 | 0 | 0 | 110.2 | R29 D167 S173 | R29-E169 IonicContact CZ-OE1 3.92Å; R29-E169 IonicContact NE-OE1 3.94Å; R29-E169 IonicContact NH2-OE1 3.48Å; R29-E169 PolarHBondContact NH2-OE1 3.18Å; D167-E169 PolarHBondContact OD1-N 3.43Å; E169-S173 WeakPolarHBondContact O-CB 3.27Å; E169-S173 PolarHBondContact O-N 2.88Å |
| 170 | E | 85.8 | Confident | 87 | Confident | 102 Ų | 102 | 42.6 Ų | 42.6 | 48% | 0.477 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.4 | -47.7 | 171.1 | -173.3 | 173.3 | -149.3 | 0 | 0 | 111.4 | D167 L172 S173 L174 R243 | D167-E170 HydrophobicContact CB-CB 3.98Å; D167-E170 PolarHBondContact OD1-N 2.95Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.09Å; E170-S173 WeakPolarHBondContact O-CB 3.25Å; E170-S173 PolarHBondContact O-N 3.17Å; E170-L174 HydrophobicContact CG-CD1 3.85Å; E170-L174 HydrophobicContact CG-CG 4.15Å; E170-L174 WeakPolarHBondContact O-CB 3.35Å; E170-L174 WeakPolarHBondContact O-CG 3.33Å; E170-L174 PolarHBondContact O-N 3.23Å; E170-R243 IonicContact OE1-NH2 2.77Å |
| 171 | W | 90.5 | Very high | 87.3 | Confident | 15 Ų | 15 | 42.5 Ų | 42.5 | 6% | 0.057 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.4 | -45.3 | 177.2 | -177.8 | 94 | 0 | 0 | 0 | 111.7 | L26 L33 Y67 L68 L71 Y166 D167 H168 R175 F275 | L26-W171 HydrophobicContact CD1-CZ3 4.43Å; L26-W171 HydrophobicContact CD2-CH2 4.5Å; L26-W171 HydrophobicContact CD2-CZ3 4.08Å; L33-W171 PolarHBondContact O-NE1 3.22Å; Y67-W171 HydrophobicContact CE1-CH2 4.35Å; L68-W171 HydrophobicContact CD2-CH2 4.24Å; L71-W171 HydrophobicContact CD1-CH2 3.88Å; L71-W171 HydrophobicContact CD1-CZ2 3.77Å; Y166-W171 HydrophobicContact CE2-CB 3.84Å; Y166-W171 AromaticContact CE2-CD1 3.86Å; Y166-W171 AromaticContact CE2-CG 3.84Å; Y166-W171 HydrophobicContact CE2-CG 3.84Å; D167-W171 VanDerWaalsContact O-CB 3.3Å; D167-W171 WeakPolarHBondContact O-CB 3.43Å; D167-W171 PolarHBondContact O-N 3.07Å; H168-W171 PolarHBondContact O-N 3.1Å; W171-R175 HydrophobicContact CE3-CB 4.41Å; W171-R175 HydrophobicContact CH2-CG 4.16Å; W171-R175 HydrophobicContact CZ2-CG 4.45Å; W171-R175 HydrophobicContact CZ3-CB 4.35Å; W171-R175 HydrophobicContact CZ3-CG 4.38Å; W171-R175 WeakPolarHBondContact O-CB 3.24Å; W171-R175 PolarHBondContact O-N 2.83Å; W171-F275 AromaticContact CD1-CE2 3.53Å; W171-F275 HydrophobicContact CG-CE2 4.18Å; W171-F275 HydrophobicContact CG-CZ 4.39Å; W171-F275 AromaticContact NE1-CE2 3.9Å |
| 172 | L | 89.1 | Confident | 87.8 | Confident | 6 Ų | 6 | 38.6 Ų | 38.6 | 3% | 0.031 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.8 | -40 | 179 | -175.9 | 62.1 | 0 | 0 | 0 | 111.5 | K23 L26 N27 H168 E170 R175 M176 | K23-L172 HydrophobicContact CG-CD2 4.46Å; L26-L172 HydrophobicContact CB-CD1 4.13Å; L26-L172 HydrophobicContact CD1-CD1 3.71Å; N27-L172 WeakPolarHBondContact OD1-CD2 3.38Å; H168-L172 WeakPolarHBondContact O-CB 3.48Å; H168-L172 PolarHBondContact O-N 3.3Å; E170-L172 VanDerWaalsContact C-N 3.31Å; E170-L172 PolarHBondContact O-N 3.09Å; L172-R175 PolarHBondContact O-N 3.29Å; L172-M176 HydrophobicContact CD1-CG 4.28Å; L172-M176 VanDerWaalsContact O-CB 3.32Å; L172-M176 WeakPolarHBondContact O-CB 3.42Å; L172-M176 VanDerWaalsContact O-CG 3.32Å; L172-M176 WeakPolarHBondContact O-CG 3.29Å; L172-M176 PolarHBondContact O-N 3.48Å |
| 173 | S | 88.1 | Confident | 87.8 | Confident | 62 Ų | 62 | 39.7 Ų | 39.7 | 43% | 0.434 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60.6 | -51.2 | 174.7 | -178.2 | 0 | 0 | 0 | 0 | 111.8 | E169 E170 R175 M176 A177 | E169-S173 WeakPolarHBondContact O-CB 3.27Å; E169-S173 PolarHBondContact O-N 2.88Å; E170-S173 WeakPolarHBondContact O-CB 3.25Å; E170-S173 PolarHBondContact O-N 3.17Å; S173-R175 PolarHBondContact O-N 3.25Å; S173-M176 PolarHBondContact O-N 3.47Å; S173-A177 WeakPolarHBondContact O-CB 3.22Å; S173-A177 PolarHBondContact O-N 2.88Å |
| 174 | L | 88.3 | Confident | 88 | Confident | 15 Ų | 15 | 39 Ų | 39 | 8% | 0.079 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.8 | -71.5 | 174.6 | 0 | 0 | 0 | 111.9 | E170 A177 L178 R243 L244 F275 | E170-L174 HydrophobicContact CG-CD1 3.85Å; E170-L174 HydrophobicContact CG-CG 4.15Å; E170-L174 WeakPolarHBondContact O-CB 3.35Å; E170-L174 WeakPolarHBondContact O-CG 3.33Å; E170-L174 PolarHBondContact O-N 3.23Å; L174-A177 PolarHBondContact O-N 2.81Å; L174-L178 VanDerWaalsContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 PolarHBondContact O-N 3.18Å; L174-R243 HydrophobicContact CD2-CB 3.93Å; L174-R243 VanDerWaalsContact CD2-CZ 3.48Å; L174-L244 HydrophobicContact CB-CD2 4.28Å; L174-L244 HydrophobicContact CD1-CD2 4.35Å; L174-L244 HydrophobicContact CD2-CD2 4.09Å; L174-L244 HydrophobicContact CG-CD2 4.49Å; L174-F275 HydrophobicContact CB-CE1 4.2Å; L174-F275 HydrophobicContact CB-CE2 3.99Å; L174-F275 HydrophobicContact CB-CZ 3.65Å; L174-F275 HydrophobicContact CD1-CE2 4.2Å |
| 175 | R | 91.1 | Very high | 88.2 | Confident | 26 Ų | 26 | 38.6 Ų | 38.6 | 10% | 0.098 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.8 | -43.7 | -179.9 | -171.3 | 69.4 | -156 | 176.5 | 6.4 | 112.2 | A19 Y67 W171 L172 S173 L178 E179 F275 | A19-R175 HydrophobicContact CB-CG 4.11Å; Y67-R175 WeakPolarHBondContact OH-CG 3.35Å; Y67-R175 PolarHBondContact OH-NE 2.89Å; W171-R175 HydrophobicContact CE3-CB 4.41Å; W171-R175 HydrophobicContact CH2-CG 4.16Å; W171-R175 HydrophobicContact CZ2-CG 4.45Å; W171-R175 HydrophobicContact CZ3-CB 4.35Å; W171-R175 HydrophobicContact CZ3-CG 4.38Å; W171-R175 WeakPolarHBondContact O-CB 3.24Å; W171-R175 PolarHBondContact O-N 2.83Å; L172-R175 PolarHBondContact O-N 3.29Å; S173-R175 PolarHBondContact O-N 3.25Å; R175-L178 PolarHBondContact O-N 3.41Å; R175-E179 IonicContact CZ-OE1 2.87Å; R175-E179 IonicContact NE-OE1 3.04Å; R175-E179 PolarHBondContact NE-OE1 2.91Å; R175-E179 IonicContact NH2-OE1 2.94Å; R175-E179 PolarHBondContact NH2-OE1 3.44Å; R175-E179 PolarHBondContact O-N 3.04Å; R175-F275 HydrophobicContact CB-CE1 4.16Å; R175-F275 HydrophobicContact CB-CZ 3.97Å |
| 176 | M | 88.6 | Confident | 88.4 | Confident | 58 Ų | 58 | 37.5 Ų | 37.5 | 29% | 0.286 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -63.3 | -41.4 | 174.5 | -77.5 | -160 | 78 | 0 | 0 | 112 | A19 K23 L172 S173 S180 | A19-M176 HydrophobicContact CB-CG 4.18Å; K23-M176 HydrophobicContact CD-CE 4.1Å; K23-M176 HydrophobicContact CD-SD 3.56Å; K23-M176 VanDerWaalsContact CD-SD 3.56Å; K23-M176 VanDerWaalsContact CE-SD 3.57Å; K23-M176 HydrophobicContact CG-SD 4.36Å; K23-M176 PolarHBondContact NZ-SD 3.17Å; L172-M176 HydrophobicContact CD1-CG 4.28Å; L172-M176 VanDerWaalsContact O-CB 3.32Å; L172-M176 WeakPolarHBondContact O-CB 3.42Å; L172-M176 VanDerWaalsContact O-CG 3.32Å; L172-M176 WeakPolarHBondContact O-CG 3.29Å; L172-M176 PolarHBondContact O-N 3.48Å; S173-M176 PolarHBondContact O-N 3.47Å; M176-S180 WeakPolarHBondContact O-CB 2.98Å; M176-S180 PolarHBondContact O-N 3.12Å |
| 177 | A | 89.7 | Confident | 88.3 | Confident | 27 Ų | 27 | 38 Ų | 38 | 22% | 0.223 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -65.1 | -47.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S173 L174 E179 S180 F181 L240 | S173-A177 WeakPolarHBondContact O-CB 3.22Å; S173-A177 PolarHBondContact O-N 2.88Å; L174-A177 PolarHBondContact O-N 2.81Å; A177-E179 PolarHBondContact O-N 3.47Å; A177-S180 PolarHBondContact O-N 3.49Å; A177-F181 WeakPolarHBondContact O-CB 3.3Å; A177-F181 PolarHBondContact O-N 3.06Å; A177-L240 HydrophobicContact CB-CD2 3.84Å |
| 178 | L | 89.7 | Confident | 88.5 | Confident | 1 Ų | 1 | 34.4 Ų | 34.4 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -56.9 | -48.3 | 177 | 176 | 59 | 0 | 0 | 0 | 112.4 | L174 R175 I182 L240 L244 F275 A278 I282 | L174-L178 VanDerWaalsContact O-CB 3.25Å; L174-L178 WeakPolarHBondContact O-CB 3.39Å; L174-L178 PolarHBondContact O-N 3.18Å; R175-L178 PolarHBondContact O-N 3.41Å; L178-I182 HydrophobicContact CD1-CD1 3.79Å; L178-I182 HydrophobicContact CD1-CG1 4.27Å; L178-I182 HydrophobicContact CG-CD1 4.01Å; L178-I182 VanDerWaalsContact O-CG1 3.32Å; L178-I182 WeakPolarHBondContact O-CG1 3.27Å; L178-I182 PolarHBondContact O-N 3.15Å; L178-L240 HydrophobicContact CB-CD2 4.46Å; L178-L244 HydrophobicContact CD1-CD1 4.11Å; L178-L244 HydrophobicContact CD2-CD1 4.16Å; L178-F275 HydrophobicContact CD2-CD1 3.85Å; L178-F275 HydrophobicContact CD2-CE1 4.03Å; L178-A278 HydrophobicContact CD1-CB 4.18Å; L178-A278 HydrophobicContact CD2-CB 3.84Å; L178-I282 HydrophobicContact CD1-CD1 3.81Å; L178-I282 HydrophobicContact CD1-CG1 4.01Å |
| 179 | E | 88.7 | Confident | 88.5 | Confident | 7 Ų | 7 | 36.1 Ų | 36.1 | 3% | 0.033 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -70.3 | -40 | 178.2 | -74.4 | -171.1 | -162.8 | 0 | 0 | 112.5 | K18 A19 Y67 R175 A177 F181 I182 W183 | K18-E179 VanDerWaalsContact CA-OE2 3.27Å; K18-E179 WeakPolarHBondContact CA-OE2 3.43Å; K18-E179 WeakPolarHBondContact CB-OE2 3.46Å; A19-E179 PolarHBondContact N-OE2 3.2Å; Y67-E179 WeakPolarHBondContact CE2-OE1 3.45Å; Y67-E179 PolarHBondContact OH-OE1 3.48Å; Y67-E179 VanDerWaalsContact OH-OE1 3.05Å; R175-E179 IonicContact CZ-OE1 2.87Å; R175-E179 IonicContact NE-OE1 3.04Å; R175-E179 PolarHBondContact NE-OE1 2.91Å; R175-E179 IonicContact NH2-OE1 2.94Å; R175-E179 PolarHBondContact NH2-OE1 3.44Å; R175-E179 PolarHBondContact O-N 3.04Å; A177-E179 PolarHBondContact O-N 3.47Å; E179-F181 VanDerWaalsContact C-N 3.27Å; E179-F181 PolarHBondContact O-N 3.38Å; E179-I182 PolarHBondContact O-N 2.78Å; E179-W183 WeakPolarHBondContact O-CB 3.28Å; E179-W183 PolarHBondContact O-N 3.13Å |
| 180 | S | 87.3 | Confident | 88.3 | Confident | 52 Ų | 52 | 38.3 Ų | 38.3 | 36% | 0.364 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58.3 | -41.2 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 111.6 | M176 A177 R184 | M176-S180 WeakPolarHBondContact O-CB 2.98Å; M176-S180 PolarHBondContact O-N 3.12Å; A177-S180 PolarHBondContact O-N 3.49Å; S180-R184 WeakPolarHBondContact O-CB 3.41Å; S180-R184 WeakPolarHBondContact O-CG 3.46Å; S180-R184 PolarHBondContact O-N 2.77Å; S180-R184 VanDerWaalsContact O-N 3.12Å; S180-R184 PolarHBondContact O-NE 3.42Å; S180-R184 VanDerWaalsContact O-NE 3.08Å; S180-R184 PolarHBondContact OG-NE 3.48Å; S180-R184 PolarHBondContact OG-NH2 2.88Å |
| 181 | F | 92.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.3 | -52.8 | 172 | 166 | -94.9 | 0 | 0 | 0 | 112 | A177 E179 W183 R184 A185 L233 L240 I282 L285 L286 | A177-F181 WeakPolarHBondContact O-CB 3.3Å; A177-F181 PolarHBondContact O-N 3.06Å; E179-F181 VanDerWaalsContact C-N 3.27Å; E179-F181 PolarHBondContact O-N 3.38Å; F181-W183 PolarHBondContact O-N 3.08Å; F181-R184 PolarHBondContact O-N 3.39Å; F181-A185 HydrophobicContact CZ-CB 4.28Å; F181-A185 WeakPolarHBondContact O-CB 3.46Å; F181-A185 PolarHBondContact O-N 3.46Å; F181-L233 HydrophobicContact CD2-CD2 3.74Å; F181-L233 HydrophobicContact CE2-CB 4.16Å; F181-L233 HydrophobicContact CE2-CD2 4.04Å; F181-L233 VanDerWaalsContact CE2-O 3.3Å; F181-L233 WeakPolarHBondContact CE2-O 3.4Å; F181-L240 HydrophobicContact CB-CD1 3.37Å; F181-L240 HydrophobicContact CD1-CD1 4.13Å; F181-L240 HydrophobicContact CD2-CD1 4.38Å; F181-L240 HydrophobicContact CG-CD1 3.68Å; F181-I282 HydrophobicContact CD1-CG1 4.35Å; F181-I282 HydrophobicContact CD1-CG2 4.42Å; F181-I282 HydrophobicContact CE1-CB 4.17Å; F181-I282 HydrophobicContact CE1-CG1 4.07Å; F181-I282 HydrophobicContact CE1-CG2 3.68Å; F181-I282 HydrophobicContact CZ-CG2 3.88Å; F181-L285 HydrophobicContact CE1-CD1 4.18Å; F181-L286 HydrophobicContact CE2-CD2 3.71Å; F181-L286 HydrophobicContact CZ-CD2 3.67Å; F181-L286 HydrophobicContact CZ-CG 4.04Å |
| 182 | I | 88.5 | Confident | 88.5 | Confident | 11 Ų | 11 | 35.6 Ų | 35.6 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58 | -47.7 | -178.2 | -72.7 | 169.9 | 0 | 0 | 0 | 110.7 | I3 L178 E179 A185 M186 L285 | I3-I182 HydrophobicContact CG2-CG2 4.29Å; L178-I182 HydrophobicContact CD1-CD1 3.79Å; L178-I182 HydrophobicContact CD1-CG1 4.27Å; L178-I182 HydrophobicContact CG-CD1 4.01Å; L178-I182 VanDerWaalsContact O-CG1 3.32Å; L178-I182 WeakPolarHBondContact O-CG1 3.27Å; L178-I182 PolarHBondContact O-N 3.15Å; E179-I182 PolarHBondContact O-N 2.78Å; I182-A185 PolarHBondContact O-N 3.04Å; I182-M186 HydrophobicContact CG2-SD 3.9Å; I182-M186 WeakPolarHBondContact O-CB 3.29Å; I182-M186 VanDerWaalsContact O-CG 3.32Å; I182-M186 WeakPolarHBondContact O-CG 3.45Å; I182-M186 PolarHBondContact O-N 3.15Å; I182-L285 HydrophobicContact CB-CD1 4.43Å; I182-L285 HydrophobicContact CG1-CD1 4.04Å; I182-L285 HydrophobicContact CG2-CD1 4.32Å |
| 183 | W | 84.5 | Confident | 88.2 | Confident | 35 Ų | 35 | 40.7 Ų | 40.7 | 13% | 0.133 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.6 | -41 | 180 | -74.6 | 112 | 0 | 0 | 0 | 112.4 | I3 L13 L16 K18 E179 F181 M186 D187 | I3-W183 HydrophobicContact CD1-CZ2 4.38Å; I3-W183 HydrophobicContact CG2-CH2 4.34Å; I3-W183 HydrophobicContact CG2-CZ2 4.26Å; L13-W183 HydrophobicContact CD2-CH2 3.86Å; L13-W183 HydrophobicContact CD2-CZ3 3.98Å; L16-W183 HydrophobicContact CB-CH2 4.48Å; K18-W183 HydrophobicContact CD-CD2 4.25Å; K18-W183 HydrophobicContact CD-CG 4.25Å; K18-W183 HydrophobicContact CD-CZ2 4.26Å; K18-W183 HydrophobicContact CG-CZ2 4.09Å; E179-W183 WeakPolarHBondContact O-CB 3.28Å; E179-W183 PolarHBondContact O-N 3.13Å; F181-W183 PolarHBondContact O-N 3.08Å; W183-M186 PolarHBondContact O-N 2.88Å; W183-D187 PolarHBondContact O-N 3.24Å |
| 184 | R | 89.3 | Confident | 88 | Confident | 91 Ų | 91 | 41.4 Ų | 41.4 | 34% | 0.343 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -69.4 | -34.5 | 175.4 | -77.7 | -179.6 | -73.6 | 123.5 | -0.3 | 113 | S180 F181 D187 V188 L233 E236 | S180-R184 WeakPolarHBondContact O-CB 3.41Å; S180-R184 WeakPolarHBondContact O-CG 3.46Å; S180-R184 PolarHBondContact O-N 2.77Å; S180-R184 VanDerWaalsContact O-N 3.12Å; S180-R184 PolarHBondContact O-NE 3.42Å; S180-R184 VanDerWaalsContact O-NE 3.08Å; S180-R184 PolarHBondContact OG-NE 3.48Å; S180-R184 PolarHBondContact OG-NH2 2.88Å; F181-R184 PolarHBondContact O-N 3.39Å; R184-D187 PolarHBondContact O-N 3Å; R184-V188 WeakPolarHBondContact O-CG2 3.26Å; R184-V188 PolarHBondContact O-N 3.1Å; R184-L233 HydrophobicContact CB-CD2 3.92Å; R184-E236 IonicContact CZ-OE1 3.94Å; R184-E236 IonicContact CZ-OE2 3.68Å; R184-E236 VanDerWaalsContact CZ-OE2 3.24Å; R184-E236 IonicContact NH1-OE1 3.82Å; R184-E236 IonicContact NH1-OE2 3.97Å; R184-E236 PolarHBondContact NH1-OE2 3.02Å; R184-E236 IonicContact NH2-OE1 2.67Å; R184-E236 PolarHBondContact NH2-OE1 3.49Å; R184-E236 IonicContact NH2-OE2 3.85Å; R184-E236 PolarHBondContact NH2-OE2 2.86Å |
| 185 | A | 89.5 | Confident | 88 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.6 | -44 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | F181 I182 V188 L189 L285 L289 | F181-A185 HydrophobicContact CZ-CB 4.28Å; F181-A185 WeakPolarHBondContact O-CB 3.46Å; F181-A185 PolarHBondContact O-N 3.46Å; I182-A185 PolarHBondContact O-N 3.04Å; A185-V188 PolarHBondContact O-N 3.02Å; A185-L189 WeakPolarHBondContact O-CG 3.2Å; A185-L189 PolarHBondContact O-N 3.35Å; A185-L285 HydrophobicContact CB-CB 4.43Å; A185-L285 HydrophobicContact CB-CD1 4.21Å; A185-L289 HydrophobicContact CB-CD1 3.89Å |
| 186 | M | 85.3 | Confident | 87.8 | Confident | 37 Ų | 37 | 41.8 Ų | 41.8 | 18% | 0.182 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.5 | -39.7 | 175.2 | -70.5 | 176.4 | 73.5 | 0 | 0 | 112.8 | I3 I182 W183 L189 R190 | I3-M186 HydrophobicContact CG2-CE 4Å; I3-M186 HydrophobicContact CG2-SD 3.56Å; I3-M186 VanDerWaalsContact CG2-SD 3.56Å; I182-M186 HydrophobicContact CG2-SD 3.9Å; I182-M186 WeakPolarHBondContact O-CB 3.29Å; I182-M186 VanDerWaalsContact O-CG 3.32Å; I182-M186 WeakPolarHBondContact O-CG 3.45Å; I182-M186 PolarHBondContact O-N 3.15Å; W183-M186 PolarHBondContact O-N 2.88Å; M186-L189 PolarHBondContact O-N 3.41Å; M186-R190 WeakPolarHBondContact O-CB 3.41Å; M186-R190 PolarHBondContact O-N 3.35Å |
| 187 | D | 85.5 | Confident | 87.2 | Confident | 64 Ų | 64 | 42.1 Ų | 42.1 | 34% | 0.342 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.4 | -37.3 | 174.7 | -90.3 | -44.3 | 0 | 0 | 0 | 112.4 | W183 R184 R190 V191 | W183-D187 PolarHBondContact O-N 3.24Å; R184-D187 PolarHBondContact O-N 3Å; D187-R190 PolarHBondContact O-N 3.37Å; D187-R190 IonicContact OD1-CZ 3.76Å; D187-R190 IonicContact OD1-NE 2.79Å; D187-R190 PolarHBondContact OD1-NE 3.04Å; D187-R190 IonicContact OD1-NH2 3.86Å; D187-R190 PolarHBondContact OD1-NH2 3.3Å; D187-V191 WeakPolarHBondContact O-CG2 3.26Å; D187-V191 PolarHBondContact O-N 2.88Å |
| 188 | V | 90.2 | Very high | 86.8 | Confident | 14 Ų | 14 | 44.6 Ų | 44.6 | 9% | 0.085 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.5 | -41.2 | 172.4 | 173.2 | 0 | 0 | 0 | 0 | 111.3 | R184 A185 R190 V191 F192 A228 P229 I230 L233 L289 | R184-V188 WeakPolarHBondContact O-CG2 3.26Å; R184-V188 PolarHBondContact O-N 3.1Å; A185-V188 PolarHBondContact O-N 3.02Å; V188-R190 VanDerWaalsContact C-N 3.32Å; V188-R190 PolarHBondContact O-N 3.46Å; V188-V191 PolarHBondContact O-N 3.11Å; V188-F192 HydrophobicContact CG1-CD1 4.49Å; V188-F192 HydrophobicContact CG1-CD2 4.18Å; V188-F192 HydrophobicContact CG1-CE1 4.22Å; V188-F192 HydrophobicContact CG1-CE2 3.86Å; V188-F192 HydrophobicContact CG1-CG 4.5Å; V188-F192 HydrophobicContact CG1-CZ 3.89Å; V188-F192 WeakPolarHBondContact O-CB 3.21Å; V188-F192 VanDerWaalsContact O-CG 3.3Å; V188-F192 WeakPolarHBondContact O-CG 3.5Å; V188-F192 PolarHBondContact O-N 3.04Å; V188-A228 HydrophobicContact CG1-CB 3.95Å; V188-P229 HydrophobicContact CG2-CG 4.26Å; V188-I230 HydrophobicContact CG1-CG1 4.27Å; V188-L233 HydrophobicContact CB-CD1 4.44Å; V188-L233 HydrophobicContact CG2-CD1 3.96Å; V188-L289 HydrophobicContact CB-CD2 3.88Å; V188-L289 HydrophobicContact CG1-CD2 3.5Å; V188-L289 VanDerWaalsContact CG1-CD2 3.5Å |
| 189 | L | 88.6 | Confident | 86.4 | Confident | 39 Ų | 39 | 45 Ų | 45 | 20% | 0.204 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -61.5 | -38.4 | 173.4 | -73.1 | 170 | 0 | 0 | 0 | 112 | A185 M186 F192 E193 L285 N288 L289 | A185-L189 WeakPolarHBondContact O-CG 3.2Å; A185-L189 PolarHBondContact O-N 3.35Å; M186-L189 PolarHBondContact O-N 3.41Å; L189-F192 CarbonylContact O-C 3.57Å; L189-F192 WeakPolarHBondContact O-CB 3.4Å; L189-F192 PolarHBondContact O-N 2.95Å; L189-E193 WeakPolarHBondContact O-CB 3.19Å; L189-E193 PolarHBondContact O-N 3.2Å; L189-L285 HydrophobicContact CD1-CD2 3.92Å; L189-N288 HydrophobicContact CD2-CB 4.43Å; L189-L289 HydrophobicContact CD2-CD2 3.94Å; L189-L289 HydrophobicContact CD2-CG 4.28Å; L189-L289 HydrophobicContact CG-CD2 3.83Å; L189-L289 HydrophobicContact CG-CG 4.27Å |
| 190 | R | 84.1 | Confident | 85.5 | Confident | 142 Ų | 142 | 49.5 Ų | 49.5 | 54% | 0.536 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69 | -37.5 | 174.8 | -173.7 | 173.2 | 66.1 | 109.2 | -3.7 | 112.9 | M186 D187 V188 F192 E193 N194 | M186-R190 WeakPolarHBondContact O-CB 3.41Å; M186-R190 PolarHBondContact O-N 3.35Å; D187-R190 PolarHBondContact O-N 3.37Å; D187-R190 IonicContact OD1-CZ 3.76Å; D187-R190 IonicContact OD1-NE 2.79Å; D187-R190 PolarHBondContact OD1-NE 3.04Å; D187-R190 IonicContact OD1-NH2 3.86Å; D187-R190 PolarHBondContact OD1-NH2 3.3Å; V188-R190 VanDerWaalsContact C-N 3.32Å; V188-R190 PolarHBondContact O-N 3.46Å; R190-F192 VanDerWaalsContact C-N 3.27Å; R190-F192 PolarHBondContact O-N 3.19Å; R190-E193 PolarHBondContact O-N 3.25Å; R190-N194 PolarHBondContact O-N 3.32Å |
| 191 | V | 86.8 | Confident | 84.2 | Confident | 61 Ų | 61 | 54 Ų | 54 | 37% | 0.37 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.7 | -35.3 | 170.5 | 167 | 0 | 0 | 0 | 0 | 110.9 | D187 V188 I195 | D187-V191 WeakPolarHBondContact O-CG2 3.26Å; D187-V191 PolarHBondContact O-N 2.88Å; V188-V191 PolarHBondContact O-N 3.11Å; V191-I195 HydrophobicContact CG1-CD1 3.98Å; V191-I195 WeakPolarHBondContact O-CD1 3.44Å; V191-I195 VanDerWaalsContact O-CG1 3.26Å; V191-I195 WeakPolarHBondContact O-CG1 3.43Å; V191-I195 PolarHBondContact O-N 3.2Å |
| 192 | F | 92.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -71.1 | -39.3 | 174.6 | -75.6 | -6 | 0 | 0 | 0 | 113.4 | V188 L189 R190 N194 I195 Q196 A228 I230 L289 T292 R293 L296 | V188-F192 HydrophobicContact CG1-CD1 4.49Å; V188-F192 HydrophobicContact CG1-CD2 4.18Å; V188-F192 HydrophobicContact CG1-CE1 4.22Å; V188-F192 HydrophobicContact CG1-CE2 3.86Å; V188-F192 HydrophobicContact CG1-CG 4.5Å; V188-F192 HydrophobicContact CG1-CZ 3.89Å; V188-F192 WeakPolarHBondContact O-CB 3.21Å; V188-F192 VanDerWaalsContact O-CG 3.3Å; V188-F192 WeakPolarHBondContact O-CG 3.5Å; V188-F192 PolarHBondContact O-N 3.04Å; L189-F192 CarbonylContact O-C 3.57Å; L189-F192 WeakPolarHBondContact O-CB 3.4Å; L189-F192 PolarHBondContact O-N 2.95Å; R190-F192 VanDerWaalsContact C-N 3.27Å; R190-F192 PolarHBondContact O-N 3.19Å; F192-N194 VanDerWaalsContact C-N 3.35Å; F192-I195 HydrophobicContact CD1-CD1 4.33Å; F192-I195 PolarHBondContact O-N 3.37Å; F192-Q196 WeakPolarHBondContact O-CB 3.44Å; F192-Q196 PolarHBondContact O-N 2.85Å; F192-A228 HydrophobicContact CE1-CB 3.4Å; F192-A228 HydrophobicContact CZ-CB 3.51Å; F192-I230 HydrophobicContact CE2-CD1 3.51Å; F192-I230 HydrophobicContact CE2-CG1 4.3Å; F192-I230 HydrophobicContact CZ-CD1 3.65Å; F192-I230 HydrophobicContact CZ-CG1 4.19Å; F192-L289 HydrophobicContact CE2-CD2 4.44Å; F192-T292 HydrophobicContact CB-CG2 3.78Å; F192-T292 HydrophobicContact CD2-CG2 3.9Å; F192-T292 HydrophobicContact CG-CG2 4.26Å; F192-R293 HydrophobicContact CE2-CB 3.99Å; F192-R293 HydrophobicContact CZ-CB 4.2Å; F192-L296 HydrophobicContact CB-CD1 3.54Å; F192-L296 HydrophobicContact CD1-CD1 3.52Å; F192-L296 HydrophobicContact CD2-CD1 4.13Å; F192-L296 HydrophobicContact CE1-CD1 4.16Å; F192-L296 HydrophobicContact CG-CD1 3.47Å; F192-L296 VanDerWaalsContact CG-CD1 3.47Å |
| 193 | E | 83.9 | Confident | 81.2 | Confident | 112 Ų | 112 | 62.5 Ų | 62.5 | 52% | 0.523 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 171.4 | -172.5 | 173.2 | -152.4 | 0 | 0 | 111.1 | L189 R190 Q196 N197 | L189-E193 WeakPolarHBondContact O-CB 3.19Å; L189-E193 PolarHBondContact O-N 3.2Å; R190-E193 PolarHBondContact O-N 3.25Å; E193-Q196 WeakPolarHBondContact O-CB 3.49Å; E193-Q196 PolarHBondContact O-N 2.98Å; E193-N197 PolarHBondContact O-N 3.47Å; E193-N197 PolarHBondContact O-ND2 3.12Å |
| 194 | N | 82.6 | Confident | 79.9 | Confident | 78 Ų | 78 | 66.5 Ų | 66.5 | 42% | 0.417 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 172.9 | -73.7 | -11.5 | 0 | 0 | 0 | 112.5 | R190 F192 Q196 N197 E198 | R190-N194 PolarHBondContact O-N 3.32Å; F192-N194 VanDerWaalsContact C-N 3.35Å; N194-Q196 VanDerWaalsContact C-N 3.26Å; N194-Q196 PolarHBondContact O-N 3.36Å; N194-N197 PolarHBondContact O-N 3.16Å; N194-E198 WeakPolarHBondContact O-CG 3.47Å; N194-E198 PolarHBondContact O-N 3.49Å |
| 195 | I | 87.8 | Confident | 78.9 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.1 | -33.6 | 176.6 | -65.4 | 163.7 | 0 | 0 | 0 | 111 | V191 F192 E198 L199 L221 R224 I225 L296 | V191-I195 HydrophobicContact CG1-CD1 3.98Å; V191-I195 WeakPolarHBondContact O-CD1 3.44Å; V191-I195 VanDerWaalsContact O-CG1 3.26Å; V191-I195 WeakPolarHBondContact O-CG1 3.43Å; V191-I195 PolarHBondContact O-N 3.2Å; F192-I195 HydrophobicContact CD1-CD1 4.33Å; F192-I195 PolarHBondContact O-N 3.37Å; I195-E198 PolarHBondContact O-N 3.34Å; I195-L199 HydrophobicContact CG2-CD1 4.07Å; I195-L199 HydrophobicContact CG2-CG 4.46Å; I195-L199 WeakPolarHBondContact O-CB 3.42Å; I195-L199 VanDerWaalsContact O-CG 3.28Å; I195-L199 WeakPolarHBondContact O-CG 3.49Å; I195-L199 PolarHBondContact O-N 3.5Å; I195-L221 HydrophobicContact CG2-CD2 4.47Å; I195-R224 HydrophobicContact CD1-CB 3.81Å; I195-I225 HydrophobicContact CD1-CG1 4.13Å; I195-I225 HydrophobicContact CG2-CD1 4.11Å; I195-I225 HydrophobicContact CG2-CG1 3.88Å; I195-L296 HydrophobicContact CB-CD1 4.39Å; I195-L296 HydrophobicContact CB-CD2 4.36Å; I195-L296 HydrophobicContact CG2-CD1 4.37Å; I195-L296 HydrophobicContact CG2-CD2 4Å |
| 196 | Q | 86.9 | Confident | 77.6 | Confident | 49 Ų | 49 | 65.7 Ų | 65.7 | 23% | 0.229 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -66.3 | -44.6 | 175.8 | -169.1 | 172.3 | -77.7 | 0 | 0 | 110.9 | F192 E193 N194 E198 L199 Q200 L296 | F192-Q196 WeakPolarHBondContact O-CB 3.44Å; F192-Q196 PolarHBondContact O-N 2.85Å; E193-Q196 WeakPolarHBondContact O-CB 3.49Å; E193-Q196 PolarHBondContact O-N 2.98Å; N194-Q196 VanDerWaalsContact C-N 3.26Å; N194-Q196 PolarHBondContact O-N 3.36Å; Q196-E198 PolarHBondContact O-N 3.13Å; Q196-L199 CarbonylContact O-C 3.46Å; Q196-L199 PolarHBondContact O-N 3.23Å; Q196-Q200 HydrophobicContact CG-CG 4.47Å; Q196-Q200 WeakPolarHBondContact O-CB 3.48Å; Q196-Q200 VanDerWaalsContact O-CG 3.3Å; Q196-Q200 WeakPolarHBondContact O-CG 3.14Å; Q196-Q200 PolarHBondContact O-N 3.2Å; Q196-L296 HydrophobicContact CB-CD2 3.81Å; Q196-L296 HydrophobicContact CG-CD2 4.37Å |
| 197 | N | 76.4 | Confident | 76.8 | Confident | 65 Ų | 65 | 67.2 Ų | 67.2 | 35% | 0.348 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.5 | -42 | 175.6 | -65.2 | -24 | 0 | 0 | 0 | 111.3 | E193 N194 L199 Q200 H201 | E193-N197 PolarHBondContact O-N 3.47Å; E193-N197 PolarHBondContact O-ND2 3.12Å; N194-N197 PolarHBondContact O-N 3.16Å; N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 PolarHBondContact O-N 3.14Å; N197-Q200 PolarHBondContact O-N 3.38Å; N197-Q200 VanDerWaalsContact O-N 3.14Å; N197-H201 WeakPolarHBondContact O-CB 3.18Å; N197-H201 PolarHBondContact O-N 3.5Å |
| 198 | E | 81.3 | Confident | 76.1 | Confident | 79 Ų | 79 | 65.3 Ų | 65.3 | 37% | 0.369 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -63.3 | -32.8 | 174 | -70.5 | 170.5 | -115.7 | 0 | 0 | 113 | N194 I195 Q196 G202 L221 R224 | N194-E198 WeakPolarHBondContact O-CG 3.47Å; N194-E198 PolarHBondContact O-N 3.49Å; I195-E198 PolarHBondContact O-N 3.34Å; Q196-E198 PolarHBondContact O-N 3.13Å; E198-G202 PolarHBondContact O-N 3.48Å; E198-L221 HydrophobicContact CB-CD2 4.44Å; E198-L221 WeakPolarHBondContact OE2-CD2 3.38Å; E198-R224 IonicContact OE1-CZ 2.77Å; E198-R224 IonicContact OE1-NH1 3.12Å; E198-R224 PolarHBondContact OE1-NH1 3.39Å; E198-R224 IonicContact OE1-NH2 3.6Å; E198-R224 PolarHBondContact OE1-NH2 3.11Å; E198-R224 IonicContact OE2-CZ 2.58Å; E198-R224 IonicContact OE2-NH1 2.63Å; E198-R224 PolarHBondContact OE2-NH1 3.37Å; E198-R224 IonicContact OE2-NH2 2.73Å |
| 199 | L | 82 | Confident | 75.5 | Confident | 8 Ų | 8 | 67.9 Ų | 67.9 | 4% | 0.042 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -79.2 | -20.2 | 173.5 | -71.8 | 171.1 | 0 | 0 | 0 | 113.8 | I195 Q196 N197 L221 L296 Q299 W300 H303 | I195-L199 HydrophobicContact CG2-CD1 4.07Å; I195-L199 HydrophobicContact CG2-CG 4.46Å; I195-L199 WeakPolarHBondContact O-CB 3.42Å; I195-L199 VanDerWaalsContact O-CG 3.28Å; I195-L199 WeakPolarHBondContact O-CG 3.49Å; I195-L199 PolarHBondContact O-N 3.5Å; Q196-L199 CarbonylContact O-C 3.46Å; Q196-L199 PolarHBondContact O-N 3.23Å; N197-L199 VanDerWaalsContact C-N 3.31Å; N197-L199 PolarHBondContact O-N 3.14Å; L199-L221 HydrophobicContact CD2-CD1 3.76Å; L199-L221 HydrophobicContact CG-CD1 4.19Å; L199-L296 HydrophobicContact CD1-CD2 3.94Å; L199-Q299 HydrophobicContact CD1-CB 4.03Å; L199-W300 HydrophobicContact CD1-CB 4.29Å; L199-H303 HydrophobicContact CD2-CB 3.89Å |
| 200 | Q | 69.8 | Low | 74.9 | Confident | 103 Ų | 103 | 69.9 Ų | 69.9 | 48% | 0.481 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -97.2 | -18 | -179.8 | -72.6 | -177.2 | 14.9 | 0 | 0 | 113.7 | Q196 N197 | Q196-Q200 HydrophobicContact CG-CG 4.47Å; Q196-Q200 WeakPolarHBondContact O-CB 3.48Å; Q196-Q200 VanDerWaalsContact O-CG 3.3Å; Q196-Q200 WeakPolarHBondContact O-CG 3.14Å; Q196-Q200 PolarHBondContact O-N 3.2Å; N197-Q200 PolarHBondContact O-N 3.38Å; N197-Q200 VanDerWaalsContact O-N 3.14Å |
| 201 | H | 59.3 | Low | 74.3 | Confident | 146 Ų | 146 | 63.1 Ų | 63.1 | 68% | 0.676 | 35% | 0.347 | S | S | * | . | S | Bend | trans | -124.7 | 19 | -176.6 | -59.8 | -13.3 | 0 | 0 | 0 | 113.3 | N197 D203 | N197-H201 WeakPolarHBondContact O-CB 3.18Å; N197-H201 PolarHBondContact O-N 3.5Å; H201-D203 PolarHBondContact O-N 3.09Å |
| 202 | G | 61.7 | Low | 73.9 | Confident | 36 Ų | 36 | 65.5 Ų | 65.5 | 37% | 0.371 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 117.3 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | E198 | E198-G202 PolarHBondContact O-N 3.48Š|
| 203 | D | 56.3 | Low | 73.3 | Confident | 154 Ų | 154 | 71.7 Ų | 71.7 | 82% | 0.824 | 38% | 0.382 | S | S | * | . | P | Polyproline II helix | trans | -64.9 | 150.9 | 172.2 | -76.4 | -49 | 0 | 0 | 0 | 112.1 | H201 | H201-D203 PolarHBondContact O-N 3.09Š|
| 204 | L | 57.3 | Low | 73.1 | Confident | 118 Ų | 118 | 67.6 Ų | 67.6 | 62% | 0.618 | 37% | 0.367 | S | S | * | . | P | Polyproline II helix | trans | -78.4 | 128.6 | 174.4 | -107.9 | 71.8 | 0 | 0 | 0 | 111 | ||
| 205 | P | 69 | Low | 72.9 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 7% | 0.071 | 36% | 0.356 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 137.5 | -176.3 | 26 | -33.3 | 0 | 0 | 0 | 112.8 | Q210 A211 A214 L307 | P205-Q210 VanDerWaalsContact CB-C 3.47Å; P205-Q210 HydrophobicContact CB-CB 3.6Å; P205-A211 HydrophobicContact CB-CB 4.11Å; P205-A211 HydrophobicContact CG-CB 3.84Å; P205-A214 HydrophobicContact CB-CB 4.35Å; P205-A214 HydrophobicContact CG-CB 4.12Å; P205-L307 HydrophobicContact CG-CD2 4.08Å |
| 206 | A | 61.2 | Low | 72.6 | Confident | 64 Ų | 64 | 71.4 Ų | 71.4 | 53% | 0.529 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -83.2 | -26.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K314 | A206-K314 WeakPolarHBondContact O-CE 3.49Å; A206-K314 PolarHBondContact O-NZ 3.06Å |
| 207 | D | 68.9 | Low | 72.3 | Confident | 68 Ų | 68 | 73.2 Ų | 73.2 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -136.6 | 175.7 | -177.4 | 70.9 | 57.3 | 0 | 0 | 0 | 112.5 | A209 Q210 A211 | D207-A209 PolarHBondContact O-N 3.32Å; D207-A209 WeakPolarHBondContact OD1-CA 3.2Å; D207-A209 WeakPolarHBondContact OD1-CB 3.31Å; D207-A209 PolarHBondContact OD1-N 3.49Å; D207-Q210 PolarHBondContact OD1-N 2.98Å; D207-Q210 PolarHBondContact OD2-NE2 3.29Å; D207-A211 VanDerWaalsContact O-CB 3.22Å; D207-A211 WeakPolarHBondContact O-CB 3.41Å; D207-A211 PolarHBondContact O-N 3.32Å |
| 208 | I | 71.4 | Confident | 72.7 | Confident | 24 Ų | 24 | 70.3 Ų | 70.3 | 12% | 0.123 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -65 | -35.3 | -178 | -66.2 | 177.1 | 0 | 0 | 0 | 113.3 | A211 K212 F311 K314 L315 Q318 | I208-A211 PolarHBondContact O-N 3.22Å; I208-K212 WeakPolarHBondContact O-CG 3.4Å; I208-K212 PolarHBondContact O-N 3.27Å; I208-F311 HydrophobicContact CG2-CE2 4.1Å; I208-K314 VanDerWaalsContact CD1-O 3.29Å; I208-K314 WeakPolarHBondContact CD1-O 3.38Å; I208-K314 HydrophobicContact CG1-CB 3.75Å; I208-K314 WeakPolarHBondContact CG1-O 3.39Å; I208-L315 HydrophobicContact CD1-CD1 4.35Å; I208-Q318 HydrophobicContact CD1-CB 3.3Å; I208-Q318 HydrophobicContact CD1-CG 3.98Å |
| 209 | A | 77.9 | Confident | 72.7 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 56% | 0.562 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -69.2 | -48.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | D207 A211 K212 E213 | D207-A209 PolarHBondContact O-N 3.32Å; D207-A209 WeakPolarHBondContact OD1-CA 3.2Å; D207-A209 WeakPolarHBondContact OD1-CB 3.31Å; D207-A209 PolarHBondContact OD1-N 3.49Å; A209-A211 VanDerWaalsContact C-N 3.28Å; A209-A211 PolarHBondContact O-N 3.49Å; A209-K212 PolarHBondContact O-N 3.41Å; A209-E213 WeakPolarHBondContact O-CB 3.42Å; A209-E213 PolarHBondContact O-N 3.31Å |
| 210 | Q | 75.3 | Confident | 72.9 | Confident | 81 Ų | 81 | 72 Ų | 72 | 38% | 0.379 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58.4 | -39.4 | 171.4 | -63.8 | 177.1 | 34.9 | 0 | 0 | 111.7 | P205 D207 E213 A214 | P205-Q210 VanDerWaalsContact CB-C 3.47Å; P205-Q210 HydrophobicContact CB-CB 3.6Å; D207-Q210 PolarHBondContact OD1-N 2.98Å; D207-Q210 PolarHBondContact OD2-NE2 3.29Å; Q210-E213 PolarHBondContact O-N 2.97Å; Q210-A214 VanDerWaalsContact O-CB 3.22Å; Q210-A214 WeakPolarHBondContact O-CB 3.27Å; Q210-A214 PolarHBondContact O-N 3.33Å |
| 211 | A | 72.7 | Confident | 73.6 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -70.1 | -34.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P205 D207 I208 A209 L215 F311 | P205-A211 HydrophobicContact CB-CB 4.11Å; P205-A211 HydrophobicContact CG-CB 3.84Å; D207-A211 VanDerWaalsContact O-CB 3.22Å; D207-A211 WeakPolarHBondContact O-CB 3.41Å; D207-A211 PolarHBondContact O-N 3.32Å; I208-A211 PolarHBondContact O-N 3.22Å; A209-A211 VanDerWaalsContact C-N 3.28Å; A209-A211 PolarHBondContact O-N 3.49Å; A211-L215 WeakPolarHBondContact O-CB 3.28Å; A211-L215 WeakPolarHBondContact O-CG 3.48Å; A211-L215 PolarHBondContact O-N 2.95Å; A211-F311 HydrophobicContact CB-CB 4.21Å; A211-F311 HydrophobicContact CB-CD2 4.06Å |
| 212 | K | 77.8 | Confident | 75 | Confident | 112 Ų | 112 | 65 Ų | 65 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -67.7 | -46 | 169 | -79.2 | -174.6 | 172.6 | -177.8 | 0 | 111.9 | I208 A209 A214 L215 E216 F311 | I208-K212 WeakPolarHBondContact O-CG 3.4Å; I208-K212 PolarHBondContact O-N 3.27Å; A209-K212 PolarHBondContact O-N 3.41Å; K212-A214 PolarHBondContact O-N 3.35Å; K212-L215 PolarHBondContact O-N 3.42Å; K212-E216 WeakPolarHBondContact O-CG 3.26Å; K212-E216 PolarHBondContact O-N 3.19Å; K212-F311 HydrophobicContact CD-CE2 4.4Å; K212-F311 HydrophobicContact CG-CD2 4.21Å; K212-F311 HydrophobicContact CG-CE2 3.68Å |
| 213 | E | 80.4 | Confident | 76.1 | Confident | 129 Ų | 129 | 69.8 Ų | 69.8 | 60% | 0.603 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.9 | -43.9 | 179.6 | -172.9 | 164.2 | -148.7 | 0 | 0 | 111.4 | A209 Q210 L215 E216 E217 | A209-E213 WeakPolarHBondContact O-CB 3.42Å; A209-E213 PolarHBondContact O-N 3.31Å; Q210-E213 PolarHBondContact O-N 2.97Å; E213-L215 PolarHBondContact O-N 3Å; E213-E216 PolarHBondContact O-N 3.39Å; E213-E217 PolarHBondContact O-N 2.95Å |
| 214 | A | 79.8 | Confident | 77.6 | Confident | 27 Ų | 27 | 66.6 Ų | 66.6 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.1 | -39.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | P205 Q210 K212 H218 L307 | P205-A214 HydrophobicContact CB-CB 4.35Å; P205-A214 HydrophobicContact CG-CB 4.12Å; Q210-A214 VanDerWaalsContact O-CB 3.22Å; Q210-A214 WeakPolarHBondContact O-CB 3.27Å; Q210-A214 PolarHBondContact O-N 3.33Å; K212-A214 PolarHBondContact O-N 3.35Å; A214-H218 WeakPolarHBondContact O-CB 3.27Å; A214-H218 PolarHBondContact O-N 3.17Å; A214-L307 HydrophobicContact CB-CD2 3.88Å |
| 215 | L | 78.9 | Confident | 79.1 | Confident | 35 Ų | 35 | 61 Ų | 61 | 18% | 0.183 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -35.2 | 172.7 | -82.1 | 170.2 | 0 | 0 | 0 | 112.6 | A211 K212 E213 A219 L307 F311 | A211-L215 WeakPolarHBondContact O-CB 3.28Å; A211-L215 WeakPolarHBondContact O-CG 3.48Å; A211-L215 PolarHBondContact O-N 2.95Å; K212-L215 PolarHBondContact O-N 3.42Å; E213-L215 PolarHBondContact O-N 3Å; L215-A219 WeakPolarHBondContact O-CB 3.24Å; L215-A219 PolarHBondContact O-N 3.45Å; L215-L307 HydrophobicContact CD2-CB 3.59Å; L215-L307 HydrophobicContact CD2-CD1 4.48Å; L215-L307 HydrophobicContact CG-CB 4.09Å; L215-F311 HydrophobicContact CD1-CB 3.6Å; L215-F311 HydrophobicContact CD1-CD1 4.23Å; L215-F311 HydrophobicContact CD1-CD2 4.21Å; L215-F311 HydrophobicContact CD1-CG 3.74Å |
| 216 | E | 81.1 | Confident | 79.7 | Confident | 122 Ų | 122 | 63 Ų | 63 | 57% | 0.57 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -72.5 | -41.6 | 175.6 | -76.2 | -170.1 | -155.3 | 0 | 0 | 112.4 | K212 E213 A219 K220 | K212-E216 WeakPolarHBondContact O-CG 3.26Å; K212-E216 PolarHBondContact O-N 3.19Å; E213-E216 PolarHBondContact O-N 3.39Å; E216-A219 CarbonylContact O-C 3.46Å; E216-A219 WeakPolarHBondContact O-CB 3.39Å; E216-A219 PolarHBondContact O-N 3.44Å; E216-K220 VanDerWaalsContact O-CG 3.31Å; E216-K220 WeakPolarHBondContact O-CG 3.47Å; E216-K220 PolarHBondContact O-N 3.42Å |
| 217 | E | 79.9 | Confident | 80.8 | Confident | 88 Ų | 88 | 68.1 Ų | 68.1 | 41% | 0.411 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 169.6 | -77.7 | -54.2 | 140.1 | 0 | 0 | 111.4 | E213 A219 K220 L221 | E213-E217 PolarHBondContact O-N 2.95Å; E217-A219 VanDerWaalsContact C-N 3.28Å; E217-A219 PolarHBondContact O-N 2.93Å; E217-K220 CarbonylContact O-C 3.58Å; E217-K220 VanDerWaalsContact O-CA 3.3Å; E217-K220 WeakPolarHBondContact O-CA 3.43Å; E217-K220 VanDerWaalsContact O-CB 3.28Å; E217-K220 WeakPolarHBondContact O-CB 3.49Å; E217-K220 PolarHBondContact O-N 3.46Å; E217-K220 WeakPolarHBondContact OE1-CD 3.32Å; E217-K220 WeakPolarHBondContact OE1-CE 3.41Å; E217-K220 IonicContact OE1-NZ 2.7Å; E217-K220 PolarHBondContact OE1-NZ 3.1Å; E217-K220 WeakPolarHBondContact OE2-CD 3.38Å; E217-L221 PolarHBondContact O-N 3.34Å |
| 218 | H | 84 | Confident | 81.7 | Confident | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.019 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 174.7 | -167.9 | 50.5 | 0 | 0 | 0 | 112.1 | A214 K220 L221 K222 W300 H303 K304 L307 | A214-H218 WeakPolarHBondContact O-CB 3.27Å; A214-H218 PolarHBondContact O-N 3.17Å; H218-K220 VanDerWaalsContact C-N 3.32Å; H218-K220 PolarHBondContact O-N 2.92Å; H218-L221 WeakPolarHBondContact O-CB 3.31Å; H218-L221 PolarHBondContact O-N 3.13Å; H218-K222 PolarHBondContact O-N 2.72Å; H218-W300 AromaticContact CD2-CE2 3.8Å; H218-W300 AromaticContact CD2-CZ2 3.89Å; H218-W300 AromaticContact CD2-NE1 3.72Å; H218-W300 AromaticContact CE1-CD1 3.09Å; H218-W300 AromaticContact CE1-CD2 3.96Å; H218-W300 AromaticContact CE1-CE2 3.64Å; H218-W300 AromaticContact CE1-CG 3.59Å; H218-W300 AromaticContact CE1-NE1 3.1Å; H218-W300 PolarHBondContact CE1-NE1 2.94Å; H218-W300 PolarHBondContact CE1-O 3.34Å; H218-W300 AromaticContact CG-NE1 3.68Å; H218-W300 AromaticContact ND1-CD1 3.53Å; H218-W300 AromaticContact ND1-NE1 3.31Å; H218-W300 PolarHBondContact ND1-NE1 3.32Å; H218-W300 AromaticContact NE2-CD1 3.69Å; H218-W300 AromaticContact NE2-CD2 3.8Å; H218-W300 AromaticContact NE2-CE2 3.4Å; H218-W300 AromaticContact NE2-CG 3.91Å; H218-W300 AromaticContact NE2-CZ2 3.86Å; H218-W300 AromaticContact NE2-NE1 3.35Å; H218-W300 PolarHBondContact NE2-NE1 2.99Å; H218-W300 PolarHBondContact NE2-O 3.25Å; H218-W300 PolarHBondContact O-NE1 3.4Å; H218-H303 AromaticContact CE1-CG 3.75Å; H218-H303 AromaticContact CE1-ND1 3.19Å; H218-H303 PolarHBondContact CE1-ND1 3.31Å; H218-H303 AromaticContact CG-ND1 3.7Å; H218-H303 AromaticContact ND1-CE1 3.97Å; H218-H303 AromaticContact ND1-ND1 3.08Å; H218-H303 PolarHBondContact ND1-ND1 3.46Å; H218-H303 AromaticContact NE2-ND1 3.84Å; H218-K304 VanDerWaalsContact NE2-CA 3.27Å; H218-K304 WeakPolarHBondContact NE2-CA 3.14Å; H218-K304 WeakPolarHBondContact NE2-CB 2.93Å; H218-K304 PolarHBondContact NE2-N 2.93Å; H218-L307 HydrophobicContact CB-CD1 3.58Å |
| 219 | A | 81.8 | Confident | 82.5 | Confident | 40 Ų | 40 | 67.3 Ų | 67.3 | 33% | 0.331 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -67.5 | -28.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L215 E216 E217 K223 | L215-A219 WeakPolarHBondContact O-CB 3.24Å; L215-A219 PolarHBondContact O-N 3.45Å; E216-A219 CarbonylContact O-C 3.46Å; E216-A219 WeakPolarHBondContact O-CB 3.39Å; E216-A219 PolarHBondContact O-N 3.44Å; E217-A219 VanDerWaalsContact C-N 3.28Å; E217-A219 PolarHBondContact O-N 2.93Å; A219-K223 WeakPolarHBondContact O-CG 3.29Å; A219-K223 PolarHBondContact O-N 3.41Å |
| 220 | K | 86.2 | Confident | 82.9 | Confident | 83 Ų | 83 | 64.1 Ų | 64.1 | 36% | 0.361 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -70.9 | -35.8 | 169.3 | -64.1 | 163.4 | -150 | 170.2 | 0 | 111.2 | E216 E217 H218 K222 K223 R224 | E216-K220 VanDerWaalsContact O-CG 3.31Å; E216-K220 WeakPolarHBondContact O-CG 3.47Å; E216-K220 PolarHBondContact O-N 3.42Å; E217-K220 CarbonylContact O-C 3.58Å; E217-K220 VanDerWaalsContact O-CA 3.3Å; E217-K220 WeakPolarHBondContact O-CA 3.43Å; E217-K220 VanDerWaalsContact O-CB 3.28Å; E217-K220 WeakPolarHBondContact O-CB 3.49Å; E217-K220 PolarHBondContact O-N 3.46Å; E217-K220 WeakPolarHBondContact OE1-CD 3.32Å; E217-K220 WeakPolarHBondContact OE1-CE 3.41Å; E217-K220 IonicContact OE1-NZ 2.7Å; E217-K220 PolarHBondContact OE1-NZ 3.1Å; E217-K220 WeakPolarHBondContact OE2-CD 3.38Å; H218-K220 VanDerWaalsContact C-N 3.32Å; H218-K220 PolarHBondContact O-N 2.92Å; K220-K222 PolarHBondContact O-N 2.81Å; K220-K223 CarbonylContact O-C 3.6Å; K220-K223 WeakPolarHBondContact O-CA 3.18Å; K220-K223 WeakPolarHBondContact O-CB 3.48Å; K220-K223 PolarHBondContact O-N 3.43Å; K220-K223 VanDerWaalsContact O-N 3.14Å; K220-R224 WeakPolarHBondContact O-CG 3.37Å; K220-R224 PolarHBondContact O-N 3.08Å |
| 221 | L | 85.8 | Confident | 83.4 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 6% | 0.058 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -58.8 | -45.5 | 172.6 | -64.5 | -178.8 | 0 | 0 | 0 | 112 | I195 E198 L199 E217 H218 K223 R224 I225 | I195-L221 HydrophobicContact CG2-CD2 4.47Å; E198-L221 HydrophobicContact CB-CD2 4.44Å; E198-L221 WeakPolarHBondContact OE2-CD2 3.38Å; L199-L221 HydrophobicContact CD2-CD1 3.76Å; L199-L221 HydrophobicContact CG-CD1 4.19Å; E217-L221 PolarHBondContact O-N 3.34Å; H218-L221 WeakPolarHBondContact O-CB 3.31Å; H218-L221 PolarHBondContact O-N 3.13Å; L221-K223 VanDerWaalsContact C-N 3.27Å; L221-K223 PolarHBondContact O-N 3.42Å; L221-R224 WeakPolarHBondContact O-CA 3.11Å; L221-R224 WeakPolarHBondContact O-CB 3.28Å; L221-R224 PolarHBondContact O-N 3.08Å; L221-I225 WeakPolarHBondContact O-CG1 3.32Å; L221-I225 PolarHBondContact O-N 3.39Å |
| 222 | K | 87.3 | Confident | 84 | Confident | 90 Ų | 90 | 69.7 Ų | 69.7 | 39% | 0.391 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -58.8 | -40.6 | 174.6 | -168.3 | 166.7 | -175.7 | 167.9 | 0 | 112.4 | H218 K220 R224 I225 G226 Y297 W300 | H218-K222 PolarHBondContact O-N 2.72Å; K220-K222 PolarHBondContact O-N 2.81Å; K222-R224 VanDerWaalsContact C-N 3.29Å; K222-R224 PolarHBondContact O-N 3.08Å; K222-I225 PolarHBondContact O-N 3.02Å; K222-G226 PolarHBondContact O-N 2.65Å; K222-Y297 HydrophobicContact CG-CE1 4.26Å; K222-W300 HydrophobicContact CB-CD2 4.21Å; K222-W300 HydrophobicContact CB-CZ2 3.79Å; K222-W300 HydrophobicContact CD-CD2 4.27Å; K222-W300 HydrophobicContact CD-CE3 4.1Å; K222-W300 HydrophobicContact CD-CH2 3.64Å; K222-W300 HydrophobicContact CD-CZ2 3.8Å; K222-W300 HydrophobicContact CD-CZ3 3.78Å; K222-W300 HydrophobicContact CG-CD2 4.44Å; K222-W300 HydrophobicContact CG-CZ2 4.34Å |
| 223 | K | 84.8 | Confident | 84.6 | Confident | 137 Ų | 137 | 64.4 Ų | 64.4 | 60% | 0.596 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -67.6 | -27.2 | 176 | -68.2 | 168.4 | -177.4 | 171.5 | 0 | 112.1 | A219 K220 L221 K227 | A219-K223 WeakPolarHBondContact O-CG 3.29Å; A219-K223 PolarHBondContact O-N 3.41Å; K220-K223 CarbonylContact O-C 3.6Å; K220-K223 WeakPolarHBondContact O-CA 3.18Å; K220-K223 WeakPolarHBondContact O-CB 3.48Å; K220-K223 PolarHBondContact O-N 3.43Å; K220-K223 VanDerWaalsContact O-N 3.14Å; L221-K223 VanDerWaalsContact C-N 3.27Å; L221-K223 PolarHBondContact O-N 3.42Å; K223-K227 VanDerWaalsContact O-CB 3.23Å; K223-K227 WeakPolarHBondContact O-CB 3.34Å; K223-K227 WeakPolarHBondContact O-CD 3.38Å; K223-K227 WeakPolarHBondContact O-CG 3.47Å; K223-K227 PolarHBondContact O-N 3.38Å |
| 224 | R | 88.1 | Confident | 84.9 | Confident | 87 Ų | 87 | 59.9 Ų | 59.9 | 33% | 0.328 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -74 | -48.7 | 172.3 | -72.9 | 166.4 | 57.2 | -172.2 | -6 | 111.6 | I195 E198 K220 L221 K222 G226 K227 A228 | I195-R224 HydrophobicContact CD1-CB 3.81Å; E198-R224 IonicContact OE1-CZ 2.77Å; E198-R224 IonicContact OE1-NH1 3.12Å; E198-R224 PolarHBondContact OE1-NH1 3.39Å; E198-R224 IonicContact OE1-NH2 3.6Å; E198-R224 PolarHBondContact OE1-NH2 3.11Å; E198-R224 IonicContact OE2-CZ 2.58Å; E198-R224 IonicContact OE2-NH1 2.63Å; E198-R224 PolarHBondContact OE2-NH1 3.37Å; E198-R224 IonicContact OE2-NH2 2.73Å; K220-R224 WeakPolarHBondContact O-CG 3.37Å; K220-R224 PolarHBondContact O-N 3.08Å; L221-R224 WeakPolarHBondContact O-CA 3.11Å; L221-R224 WeakPolarHBondContact O-CB 3.28Å; L221-R224 PolarHBondContact O-N 3.08Å; K222-R224 VanDerWaalsContact C-N 3.29Å; K222-R224 PolarHBondContact O-N 3.08Å; R224-G226 VanDerWaalsContact C-N 3.33Å; R224-G226 PolarHBondContact O-N 3.39Å; R224-K227 PolarHBondContact O-N 3Å; R224-K227 VanDerWaalsContact O-N 3.14Å; R224-A228 PolarHBondContact O-N 3.39Å |
| 225 | I | 88.5 | Confident | 85.2 | Confident | 1 Ų | 1 | 62.9 Ų | 62.9 | 1% | 0.005 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57 | -47.9 | 175.7 | -58.1 | 163.8 | 0 | 0 | 0 | 110.4 | I195 L221 K222 K227 A228 R293 L296 Y297 W300 | I195-I225 HydrophobicContact CD1-CG1 4.13Å; I195-I225 HydrophobicContact CG2-CD1 4.11Å; I195-I225 HydrophobicContact CG2-CG1 3.88Å; L221-I225 WeakPolarHBondContact O-CG1 3.32Å; L221-I225 PolarHBondContact O-N 3.39Å; K222-I225 PolarHBondContact O-N 3.02Å; I225-K227 VanDerWaalsContact C-N 3.28Å; I225-K227 PolarHBondContact O-N 2.89Å; I225-A228 WeakPolarHBondContact O-CB 3.41Å; I225-A228 PolarHBondContact O-N 2.69Å; I225-R293 HydrophobicContact CG2-CG 4.34Å; I225-L296 HydrophobicContact CD1-CB 4.06Å; I225-L296 HydrophobicContact CG1-CB 4.41Å; I225-L296 HydrophobicContact CG1-CD1 4.39Å; I225-L296 HydrophobicContact CG2-CB 4.5Å; I225-Y297 HydrophobicContact CB-CE1 4.11Å; I225-Y297 HydrophobicContact CD1-CD1 4.44Å; I225-Y297 HydrophobicContact CG2-CD1 4.15Å; I225-Y297 HydrophobicContact CG2-CD2 4.28Å; I225-Y297 HydrophobicContact CG2-CE1 3.7Å; I225-Y297 HydrophobicContact CG2-CE2 3.86Å; I225-Y297 HydrophobicContact CG2-CG 4.41Å; I225-W300 HydrophobicContact CD1-CB 4.15Å; I225-W300 HydrophobicContact CD1-CG 4.34Å |
| 226 | G | 81.6 | Confident | 85.7 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 53% | 0.526 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -8.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K222 R224 Y297 | K222-G226 PolarHBondContact O-N 2.65Å; R224-G226 VanDerWaalsContact C-N 3.33Å; R224-G226 PolarHBondContact O-N 3.39Å; G226-Y297 WeakPolarHBondContact CA-OH 3.47Å |
| 227 | K | 85.8 | Confident | 86.1 | Confident | 173 Ų | 173 | 57.5 Ų | 57.5 | 75% | 0.752 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.5 | -7.5 | 173.1 | -84.2 | 178.4 | 177 | -169 | 0 | 113.3 | K223 R224 I225 | K223-K227 VanDerWaalsContact O-CB 3.23Å; K223-K227 WeakPolarHBondContact O-CB 3.34Å; K223-K227 WeakPolarHBondContact O-CD 3.38Å; K223-K227 WeakPolarHBondContact O-CG 3.47Å; K223-K227 PolarHBondContact O-N 3.38Å; R224-K227 PolarHBondContact O-N 3Å; R224-K227 VanDerWaalsContact O-N 3.14Å; I225-K227 VanDerWaalsContact C-N 3.28Å; I225-K227 PolarHBondContact O-N 2.89Å |
| 228 | A | 87.1 | Confident | 86.4 | Confident | 12 Ų | 12 | 57.2 Ų | 57.2 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -67.8 | 124.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110 | V188 F192 R224 I225 I230 | V188-A228 HydrophobicContact CG1-CB 3.95Å; F192-A228 HydrophobicContact CE1-CB 3.4Å; F192-A228 HydrophobicContact CZ-CB 3.51Å; R224-A228 PolarHBondContact O-N 3.39Å; I225-A228 WeakPolarHBondContact O-CB 3.41Å; I225-A228 PolarHBondContact O-N 2.69Å; A228-I230 HydrophobicContact CB-CG1 4.47Å; A228-I230 PolarHBondContact O-N 2.86Å |
| 229 | P | 87.4 | Confident | 86.6 | Confident | 63 Ų | 63 | 62.1 Ų | 62.1 | 41% | 0.409 | 31% | 0.314 | S | S | . | . | trans | -80.5 | 49.3 | -169.7 | 35 | -39 | 0 | 0 | 0 | 112.8 | V188 D231 N232 L233 | V188-P229 HydrophobicContact CG2-CG 4.26Å; P229-D231 VanDerWaalsContact C-N 3.3Å; P229-D231 PolarHBondContact O-N 3.5Å; P229-N232 HydrophobicContact CB-CB 4.36Å; P229-N232 PolarHBondContact O-N 2.96Å; P229-L233 WeakPolarHBondContact O-CG 3.39Å; P229-L233 PolarHBondContact O-N 2.78Å; P229-L233 VanDerWaalsContact O-N 3.11Å | ||
| 230 | I | 87 | Confident | 86.8 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.5 | -42.5 | 179.2 | -54.6 | -171.4 | 0 | 0 | 0 | 110.7 | V188 F192 A228 N232 L233 E234 L289 R293 | V188-I230 HydrophobicContact CG1-CG1 4.27Å; F192-I230 HydrophobicContact CE2-CD1 3.51Å; F192-I230 HydrophobicContact CE2-CG1 4.3Å; F192-I230 HydrophobicContact CZ-CD1 3.65Å; F192-I230 HydrophobicContact CZ-CG1 4.19Å; A228-I230 HydrophobicContact CB-CG1 4.47Å; A228-I230 PolarHBondContact O-N 2.86Å; I230-N232 VanDerWaalsContact C-N 3.25Å; I230-N232 PolarHBondContact O-N 3.5Å; I230-L233 CarbonylContact O-C 3.39Å; I230-L233 WeakPolarHBondContact O-CA 3.44Å; I230-L233 WeakPolarHBondContact O-CB 3.5Å; I230-L233 PolarHBondContact O-N 3.31Å; I230-E234 HydrophobicContact CG2-CG 4.05Å; I230-E234 PolarHBondContact O-N 3.06Å; I230-L289 HydrophobicContact CD1-CB 4.18Å; I230-L289 HydrophobicContact CD1-CD2 4.46Å; I230-L289 WeakPolarHBondContact CD1-O 3.47Å; I230-L289 HydrophobicContact CG1-CD2 4.44Å; I230-L289 HydrophobicContact CG2-CB 4.06Å; I230-R293 HydrophobicContact CD1-CB 3.65Å; I230-R293 HydrophobicContact CD1-CG 4.13Å |
| 231 | D | 85.1 | Confident | 86.7 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -67.5 | -33.4 | -171.5 | -46.3 | -50.3 | 0 | 0 | 0 | 110.4 | P229 E234 E235 R293 | P229-D231 VanDerWaalsContact C-N 3.3Å; P229-D231 PolarHBondContact O-N 3.5Å; D231-E234 PolarHBondContact O-N 3.17Å; D231-E235 PolarHBondContact O-N 2.99Å; D231-R293 IonicContact OD1-CZ 3.89Å; D231-R293 VanDerWaalsContact OD1-CZ 3.25Å; D231-R293 IonicContact OD1-NH1 2.94Å; D231-R293 PolarHBondContact OD1-NH1 3.36Å; D231-R293 IonicContact OD1-NH2 3.64Å; D231-R293 PolarHBondContact OD1-NH2 3.25Å; D231-R293 IonicContact OD2-NH1 3.37Å; D231-R293 PolarHBondContact OD2-NH1 3.48Å; D231-R293 VanDerWaalsContact OD2-NH1 3.07Å |
| 232 | N | 85.1 | Confident | 86.5 | Confident | 115 Ų | 115 | 61.8 Ų | 61.8 | 62% | 0.615 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 168.3 | -60.4 | 11.5 | 0 | 0 | 0 | 112 | P229 I230 E234 E235 E236 | P229-N232 HydrophobicContact CB-CB 4.36Å; P229-N232 PolarHBondContact O-N 2.96Å; I230-N232 VanDerWaalsContact C-N 3.25Å; I230-N232 PolarHBondContact O-N 3.5Å; N232-E234 VanDerWaalsContact C-N 3.29Å; N232-E234 PolarHBondContact O-N 3.39Å; N232-E235 PolarHBondContact O-N 3.17Å; N232-E236 WeakPolarHBondContact O-CB 3.37Å; N232-E236 PolarHBondContact O-N 3.15Å |
| 233 | L | 90.6 | Very high | 86.3 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -66.2 | -29.7 | 176.5 | -74.8 | 167.2 | 0 | 0 | 0 | 112.1 | F181 R184 V188 P229 I230 G237 L286 L289 | F181-L233 HydrophobicContact CD2-CD2 3.74Å; F181-L233 HydrophobicContact CE2-CB 4.16Å; F181-L233 HydrophobicContact CE2-CD2 4.04Å; F181-L233 VanDerWaalsContact CE2-O 3.3Å; F181-L233 WeakPolarHBondContact CE2-O 3.4Å; R184-L233 HydrophobicContact CB-CD2 3.92Å; V188-L233 HydrophobicContact CB-CD1 4.44Å; V188-L233 HydrophobicContact CG2-CD1 3.96Å; P229-L233 WeakPolarHBondContact O-CG 3.39Å; P229-L233 PolarHBondContact O-N 2.78Å; P229-L233 VanDerWaalsContact O-N 3.11Å; I230-L233 CarbonylContact O-C 3.39Å; I230-L233 WeakPolarHBondContact O-CA 3.44Å; I230-L233 WeakPolarHBondContact O-CB 3.5Å; I230-L233 PolarHBondContact O-N 3.31Å; L233-G237 WeakPolarHBondContact O-CA 3.22Å; L233-G237 PolarHBondContact O-N 3.41Å; L233-L286 WeakPolarHBondContact O-CD2 3.31Å; L233-L289 HydrophobicContact CD1-CD1 4.17Å |
| 234 | E | 86.8 | Confident | 86.1 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 16% | 0.159 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71 | -43 | 174.8 | -77.7 | -171.1 | 160.1 | 0 | 0 | 112.1 | I230 D231 N232 Q238 L286 R290 | I230-E234 HydrophobicContact CG2-CG 4.05Å; I230-E234 PolarHBondContact O-N 3.06Å; D231-E234 PolarHBondContact O-N 3.17Å; N232-E234 VanDerWaalsContact C-N 3.29Å; N232-E234 PolarHBondContact O-N 3.39Å; E234-Q238 VanDerWaalsContact O-CB 3.3Å; E234-Q238 WeakPolarHBondContact O-CB 3.43Å; E234-Q238 WeakPolarHBondContact O-CG 3.28Å; E234-Q238 PolarHBondContact O-N 2.71Å; E234-L286 HydrophobicContact CG-CD2 4.04Å; E234-R290 WeakPolarHBondContact OE1-CD 3.41Å; E234-R290 VanDerWaalsContact OE1-CG 3.3Å; E234-R290 WeakPolarHBondContact OE1-CG 3.36Å; E234-R290 IonicContact OE1-CZ 2.73Å; E234-R290 IonicContact OE1-NE 2.64Å; E234-R290 PolarHBondContact OE1-NE 3.43Å; E234-R290 IonicContact OE1-NH2 2.78Å |
| 235 | E | 86.7 | Confident | 85.4 | Confident | 89 Ų | 89 | 53.9 Ų | 53.9 | 42% | 0.416 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.8 | -42.2 | 175 | -62.2 | -148.6 | 125.5 | 0 | 0 | 111.6 | D231 N232 Q238 Q239 K2547 | D231-E235 PolarHBondContact O-N 2.99Å; N232-E235 PolarHBondContact O-N 3.17Å; E235-Q238 PolarHBondContact O-N 3.24Å; E235-Q239 WeakPolarHBondContact O-CB 3.36Å; E235-Q239 VanDerWaalsContact O-CG 3.25Å; E235-Q239 WeakPolarHBondContact O-CG 3.34Å; E235-Q239 PolarHBondContact O-N 3.28Å; E235-K2547 IonicContact OE1-NZ 3.18Å; E235-K2547 PolarHBondContact OE1-NZ 3.19Å |
| 236 | E | 88.7 | Confident | 84.1 | Confident | 44 Ų | 44 | 56.8 Ų | 56.8 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.9 | -42.2 | 174.8 | -176.8 | 176.2 | -170.2 | 0 | 0 | 112.4 | R184 N232 Q239 L240 | R184-E236 IonicContact CZ-OE1 3.94Å; R184-E236 IonicContact CZ-OE2 3.68Å; R184-E236 VanDerWaalsContact CZ-OE2 3.24Å; R184-E236 IonicContact NH1-OE1 3.82Å; R184-E236 IonicContact NH1-OE2 3.97Å; R184-E236 PolarHBondContact NH1-OE2 3.02Å; R184-E236 IonicContact NH2-OE1 2.67Å; R184-E236 PolarHBondContact NH2-OE1 3.49Å; R184-E236 IonicContact NH2-OE2 3.85Å; R184-E236 PolarHBondContact NH2-OE2 2.86Å; N232-E236 WeakPolarHBondContact O-CB 3.37Å; N232-E236 PolarHBondContact O-N 3.15Å; E236-Q239 PolarHBondContact O-N 3.01Å; E236-L240 HydrophobicContact CG-CD1 4.2Å; E236-L240 WeakPolarHBondContact O-CB 3.39Å; E236-L240 WeakPolarHBondContact O-CG 3.14Å; E236-L240 PolarHBondContact O-N 2.83Å |
| 237 | G | 89.5 | Confident | 82.5 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.4 | -33.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | L233 I241 | L233-G237 WeakPolarHBondContact O-CA 3.22Å; L233-G237 PolarHBondContact O-N 3.41Å; G237-I241 VanDerWaalsContact O-CG1 3.29Å; G237-I241 WeakPolarHBondContact O-CG1 3.39Å; G237-I241 PolarHBondContact O-N 3.07Å |
| 238 | Q | 86.7 | Confident | 80.4 | Confident | 82 Ų | 82 | 55.3 Ų | 55.3 | 38% | 0.383 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -68.9 | -45.4 | 171.6 | -75.5 | 167.9 | 25.3 | 0 | 0 | 111.5 | E234 E235 L240 I241 Q242 | E234-Q238 VanDerWaalsContact O-CB 3.3Å; E234-Q238 WeakPolarHBondContact O-CB 3.43Å; E234-Q238 WeakPolarHBondContact O-CG 3.28Å; E234-Q238 PolarHBondContact O-N 2.71Å; E235-Q238 PolarHBondContact O-N 3.24Å; Q238-L240 VanDerWaalsContact C-N 3.34Å; Q238-L240 PolarHBondContact O-N 2.89Å; Q238-I241 PolarHBondContact O-N 3.13Å; Q238-Q242 WeakPolarHBondContact O-CG 3.25Å; Q238-Q242 PolarHBondContact O-N 2.84Å |
| 239 | Q | 87.1 | Confident | 78 | Confident | 107 Ų | 107 | 63.4 Ų | 63.4 | 50% | 0.5 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -60.4 | -42.7 | 174.3 | -71.9 | 168.1 | 22.4 | 0 | 0 | 111.4 | E235 E236 Q242 R243 | E235-Q239 WeakPolarHBondContact O-CB 3.36Å; E235-Q239 VanDerWaalsContact O-CG 3.25Å; E235-Q239 WeakPolarHBondContact O-CG 3.34Å; E235-Q239 PolarHBondContact O-N 3.28Å; E236-Q239 PolarHBondContact O-N 3.01Å; Q239-Q242 PolarHBondContact O-N 3.37Å; Q239-R243 WeakPolarHBondContact O-CG 3.4Å; Q239-R243 PolarHBondContact O-N 3.34Å |
| 240 | L | 87 | Confident | 75.7 | Confident | 6 Ų | 6 | 66.6 Ų | 66.6 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 173.3 | -82.5 | 167.6 | 0 | 0 | 0 | 111.9 | A177 L178 F181 E236 Q238 Q242 R243 L244 I282 | A177-L240 HydrophobicContact CB-CD2 3.84Å; L178-L240 HydrophobicContact CB-CD2 4.46Å; F181-L240 HydrophobicContact CB-CD1 3.37Å; F181-L240 HydrophobicContact CD1-CD1 4.13Å; F181-L240 HydrophobicContact CD2-CD1 4.38Å; F181-L240 HydrophobicContact CG-CD1 3.68Å; E236-L240 HydrophobicContact CG-CD1 4.2Å; E236-L240 WeakPolarHBondContact O-CB 3.39Å; E236-L240 WeakPolarHBondContact O-CG 3.14Å; E236-L240 PolarHBondContact O-N 2.83Å; Q238-L240 VanDerWaalsContact C-N 3.34Å; Q238-L240 PolarHBondContact O-N 2.89Å; L240-Q242 VanDerWaalsContact C-N 3.31Å; L240-Q242 PolarHBondContact O-N 2.93Å; L240-R243 PolarHBondContact O-N 2.98Å; L240-L244 VanDerWaalsContact O-CB 3.3Å; L240-L244 WeakPolarHBondContact O-CB 3.3Å; L240-L244 VanDerWaalsContact O-CG 3.22Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 3.43Å; L240-I282 HydrophobicContact CB-CD1 4.22Å |
| 241 | I | 84.9 | Confident | 73 | Confident | 43 Ų | 43 | 75.5 Ų | 75.5 | 22% | 0.221 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 176.4 | -73.9 | 168.6 | 0 | 0 | 0 | 111.1 | G237 Q238 S245 V279 I282 | G237-I241 VanDerWaalsContact O-CG1 3.29Å; G237-I241 WeakPolarHBondContact O-CG1 3.39Å; G237-I241 PolarHBondContact O-N 3.07Å; Q238-I241 PolarHBondContact O-N 3.13Å; I241-S245 WeakPolarHBondContact O-CB 3.35Å; I241-S245 PolarHBondContact O-N 3.34Å; I241-S245 PolarHBondContact O-OG 3.25Å; I241-V279 HydrophobicContact CG1-CG1 4.31Å; I241-V279 HydrophobicContact CG2-CG1 4.13Å; I241-I282 HydrophobicContact CD1-CB 4.08Å; I241-I282 HydrophobicContact CD1-CG2 3.67Å; I241-I282 HydrophobicContact CG1-CB 4.05Å; I241-I282 HydrophobicContact CG1-CD1 4.05Å; I241-I282 HydrophobicContact CG1-CG2 3.79Å |
| 242 | Q | 81.2 | Confident | 70.3 | Confident | 78 Ų | 78 | 81 Ų | 81 | 36% | 0.364 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 177 | -71.6 | 177 | -53.9 | 0 | 0 | 111.9 | Q238 Q239 L240 S245 G246 S247 | Q238-Q242 WeakPolarHBondContact O-CG 3.25Å; Q238-Q242 PolarHBondContact O-N 2.84Å; Q239-Q242 PolarHBondContact O-N 3.37Å; L240-Q242 VanDerWaalsContact C-N 3.31Å; L240-Q242 PolarHBondContact O-N 2.93Å; Q242-S245 PolarHBondContact O-N 3.23Å; Q242-G246 PolarHBondContact O-N 3.18Å; Q242-S247 PolarHBondContact O-N 2.69Å; Q242-S247 PolarHBondContact O-OG 3.19Å |
| 243 | R | 82 | Confident | 67.6 | Low | 78 Ų | 78 | 82.2 Ų | 82.2 | 29% | 0.294 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64 | -43.2 | 178.5 | -69 | -170.6 | 70.7 | -148.6 | -7.2 | 112.9 | E170 L174 Q239 L240 S245 G246 E248 | E170-R243 IonicContact OE1-NH2 2.77Å; L174-R243 HydrophobicContact CD2-CB 3.93Å; L174-R243 VanDerWaalsContact CD2-CZ 3.48Å; Q239-R243 WeakPolarHBondContact O-CG 3.4Å; Q239-R243 PolarHBondContact O-N 3.34Å; L240-R243 PolarHBondContact O-N 2.98Å; R243-S245 PolarHBondContact O-N 3.39Å; R243-G246 PolarHBondContact O-N 3.41Å; R243-E248 HydrophobicContact CG-CG 4.22Å; R243-E248 VanDerWaalsContact CG-OE2 3.28Å; R243-E248 WeakPolarHBondContact CG-OE2 3.43Å; R243-E248 IonicContact NE-OE2 2.82Å |
| 244 | L | 81.1 | Confident | 64.6 | Low | 3 Ų | 3 | 86.7 Ų | 86.7 | 2% | 0.016 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -75.2 | -8.3 | 176.6 | -59.3 | -173.4 | 0 | 0 | 0 | 113.8 | L174 L178 L240 C271 F275 V279 I282 | L174-L244 HydrophobicContact CB-CD2 4.28Å; L174-L244 HydrophobicContact CD1-CD2 4.35Å; L174-L244 HydrophobicContact CD2-CD2 4.09Å; L174-L244 HydrophobicContact CG-CD2 4.49Å; L178-L244 HydrophobicContact CD1-CD1 4.11Å; L178-L244 HydrophobicContact CD2-CD1 4.16Å; L240-L244 VanDerWaalsContact O-CB 3.3Å; L240-L244 WeakPolarHBondContact O-CB 3.3Å; L240-L244 VanDerWaalsContact O-CG 3.22Å; L240-L244 WeakPolarHBondContact O-CG 3.44Å; L240-L244 PolarHBondContact O-N 3.43Å; L244-C271 PolarHBondContact O-SG 2.83Å; L244-C271 VanDerWaalsContact O-SG 3.37Å; L244-F275 HydrophobicContact CD1-CD1 4.44Å; L244-F275 HydrophobicContact CD2-CB 4Å; L244-F275 HydrophobicContact CD2-CD1 3.77Å; L244-F275 HydrophobicContact CD2-CD2 4.31Å; L244-F275 HydrophobicContact CD2-CE1 4.3Å; L244-F275 HydrophobicContact CD2-CG 3.8Å; L244-V279 HydrophobicContact CB-CG2 4.03Å; L244-I282 HydrophobicContact CD1-CD1 3.95Å |
| 245 | S | 72.3 | Confident | 61.7 | Low | 67 Ų | 67 | 90.9 Ų | 90.9 | 47% | 0.469 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | 3.9 | 172.1 | -53.9 | 0 | 0 | 0 | 0 | 113 | I241 Q242 R243 S247 | I241-S245 WeakPolarHBondContact O-CB 3.35Å; I241-S245 PolarHBondContact O-N 3.34Å; I241-S245 PolarHBondContact O-OG 3.25Å; Q242-S245 PolarHBondContact O-N 3.23Å; R243-S245 PolarHBondContact O-N 3.39Å; S245-S247 PolarHBondContact O-N 3.42Å |
| 246 | G | 62.8 | Low | 58.9 | Low | 63 Ų | 63 | 91.8 Ų | 91.8 | 65% | 0.649 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.1 | 23.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q242 R243 | Q242-G246 PolarHBondContact O-N 3.18Å; R243-G246 PolarHBondContact O-N 3.41Å |
| 247 | S | 48.4 | Very low | 55.9 | Low | 76 Ų | 76 | 94.3 Ų | 94.3 | 53% | 0.531 | 55% | 0.552 | S | S | . | * | trans | -101.9 | 22.9 | -169.1 | 78.1 | 0 | 0 | 0 | 0 | 115.6 | Q242 S245 | Q242-S247 PolarHBondContact O-N 2.69Å; Q242-S247 PolarHBondContact O-OG 3.19Å; S245-S247 PolarHBondContact O-N 3.42Å | ||
| 248 | E | 40.3 | Very low | 53 | Low | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.542 | 59% | 0.591 | S | S | . | * | trans | -106 | 131.6 | 176.7 | -70.6 | -163.9 | 143.1 | 0 | 0 | 112.2 | R243 | R243-E248 HydrophobicContact CG-CG 4.22Å; R243-E248 VanDerWaalsContact CG-OE2 3.28Å; R243-E248 WeakPolarHBondContact CG-OE2 3.43Å; R243-E248 IonicContact NE-OE2 2.82Å | ||
| 249 | E | 37.9 | Very low | 50.2 | Low | 182 Ų | 182 | 105.3 Ų | 105.3 | 85% | 0.85 | 62% | 0.618 | S | S | * | * | trans | -76.2 | 126.5 | 164.4 | -67.8 | -171.3 | 142 | 0 | 0 | 109.8 | Q251 | E249-Q251 PolarHBondContact O-N 3.46Š| ||
| 250 | P | 37.8 | Very low | 47.2 | Very low | 131 Ų | 131 | 104 Ų | 104 | 85% | 0.851 | 63% | 0.633 | S | S | * | * | trans | -70.5 | 115.5 | -169.7 | 25.4 | -34.2 | 0 | 0 | 0 | 113.4 | K252 | P250-K252 PolarHBondContact O-N 3.04Š| ||
| 251 | Q | 31.4 | Very low | 44.3 | Very low | 187 Ų | 187 | 108 Ų | 108 | 87% | 0.874 | 68% | 0.675 | S | S | * | * | trans | -79.7 | 103.1 | 177.7 | -67.6 | -167.1 | 6.7 | 0 | 0 | 113.2 | E249 | E249-Q251 PolarHBondContact O-N 3.46Š| ||
| 252 | K | 28.5 | Very low | 41.4 | Very low | 198 Ų | 198 | 109.9 Ų | 109.9 | 86% | 0.861 | 71% | 0.705 | S | S | * | * | trans | 39.3 | 80.9 | 148 | -62.9 | -179.7 | 178 | 175.7 | 0 | 117.8 | P250 | P250-K252 PolarHBondContact O-N 3.04Š| ||
| 253 | C | 27.9 | Very low | 38.7 | Very low | 140 Ų | 140 | 110.6 Ų | 110.6 | 95% | 0.946 | 73% | 0.734 | S | S | * | * | trans | -88.1 | 121.1 | 143 | -78.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 254 | A | 26.6 | Very low | 36.1 | Very low | 96 Ų | 96 | 110.1 Ų | 110.1 | 79% | 0.793 | 75% | 0.753 | S | S | * | * | trans | -121.6 | 80.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 255 | S | 26.1 | Very low | 33.6 | Very low | 122 Ų | 122 | 115.2 Ų | 115.2 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -170.5 | 69.1 | 162.8 | 59.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 256 | A | 28.3 | Very low | 31.6 | Very low | 108 Ų | 108 | 115.3 Ų | 115.3 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | trans | -155.6 | 146.2 | 158.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 257 | S | 26.5 | Very low | 30 | Very low | 97 Ų | 97 | 121.7 Ų | 121.7 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | trans | -107.5 | 165.8 | -178.8 | -161.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 258 | E | 27.5 | Very low | 29.5 | Very low | 175 Ų | 175 | 125.8 Ų | 125.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | trans | 56.6 | 80.4 | 157.9 | -74.4 | 143.4 | -104.7 | 0 | 0 | 119 | ||||
| 259 | C | 28.1 | Very low | 29.5 | Very low | 139 Ų | 139 | 128.3 Ų | 128.3 | 94% | 0.939 | 83% | 0.827 | S | S | * | * | -158.9 | 162.1 | 106.4 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 260 | G | 25.1 | Very low | 30.2 | Very low | 79 Ų | 79 | 122.7 Ų | 122.7 | 81% | 0.814 | 81% | 0.806 | S | S | * | * | trans | -171.5 | 167.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 261 | G | 24.6 | Very low | 31.7 | Very low | 89 Ų | 89 | 119.2 Ų | 119.2 | 92% | 0.918 | 78% | 0.784 | S | S | * | * | trans | 103.7 | 105.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 262 | G | 25.6 | Very low | 34 | Very low | 83 Ų | 83 | 111.1 Ų | 111.1 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | 154.8 | 82 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 263 | G | 24.9 | Very low | 36.5 | Very low | 93 Ų | 93 | 104.2 Ų | 104.2 | 96% | 0.959 | 72% | 0.722 | S | S | * | * | trans | -84.2 | 121.1 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 264 | G | 26.1 | Very low | 39.1 | Very low | 69 Ų | 69 | 98 Ų | 98 | 71% | 0.711 | 68% | 0.68 | S | S | * | * | trans | -173.7 | 132.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 265 | S | 28.9 | Very low | 41.9 | Very low | 110 Ų | 110 | 93.9 Ų | 93.9 | 77% | 0.769 | 64% | 0.644 | S | S | * | * | trans | 44.2 | 128.7 | 177.3 | -150.9 | 0 | 0 | 0 | 0 | 118 | R267 | S265-R267 PolarHBondContact O-N 3.23Å; S265-R267 VanDerWaalsContact O-N 3.09Å | ||
| 266 | G | 29.5 | Very low | 44.5 | Very low | 69 Ų | 69 | 91.4 Ų | 91.4 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | trans | -55.4 | 120.6 | 152.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 267 | R | 29.4 | Very low | 46.9 | Very low | 197 Ų | 197 | 88.7 Ų | 88.7 | 74% | 0.743 | 60% | 0.597 | S | S | * | * | trans | -78.8 | 119.7 | 169 | -82.5 | 179.9 | 165.9 | 172.2 | -5.7 | 106.7 | S265 Y269 | S265-R267 PolarHBondContact O-N 3.23Å; S265-R267 VanDerWaalsContact O-N 3.09Å; R267-Y269 HydrophobicContact CB-CD2 4.12Å; R267-Y269 HydrophobicContact CB-CE2 3.99Å; R267-Y269 VanDerWaalsContact O-CD2 3.28Å; R267-Y269 WeakPolarHBondContact O-CD2 3.35Å; R267-Y269 PolarHBondContact O-N 3.5Å | ||
| 268 | D | 39 | Very low | 49.5 | Very low | 162 Ų | 162 | 84.6 Ų | 84.6 | 87% | 0.866 | 57% | 0.57 | S | S | * | * | trans | -63.2 | 94.7 | 158.4 | -67.5 | -49.3 | 0 | 0 | 0 | 106.9 | P270 | D268-P270 WeakPolarHBondContact O-CD 3.43Š| ||
| 269 | Y | 40.5 | Very low | 52.2 | Low | 169 Ų | 169 | 77.8 Ų | 77.8 | 66% | 0.663 | 54% | 0.54 | S | S | * | . | trans | -64.2 | 118.2 | 172.3 | -80.4 | -95.9 | 0 | 0 | 0 | 107 | P165 R267 C271 | P165-Y269 HydrophobicContact CB-CD1 4.47Å; P165-Y269 HydrophobicContact CG-CD1 4.31Å; R267-Y269 HydrophobicContact CB-CD2 4.12Å; R267-Y269 HydrophobicContact CB-CE2 3.99Å; R267-Y269 VanDerWaalsContact O-CD2 3.28Å; R267-Y269 WeakPolarHBondContact O-CD2 3.35Å; R267-Y269 PolarHBondContact O-N 3.5Å; Y269-C271 PolarHBondContact O-N 2.86Å | ||
| 270 | P | 51.1 | Low | 54.7 | Low | 64 Ų | 64 | 75.5 Ų | 75.5 | 42% | 0.416 | 52% | 0.523 | S | S | . | . | trans | -66.2 | 99.7 | -176.7 | 26.3 | -34.6 | 0 | 0 | 0 | 109.4 | P165 D268 N272 | P165-P270 HydrophobicContact CG-CG 3.89Å; D268-P270 WeakPolarHBondContact O-CD 3.43Å; P270-N272 PolarHBondContact O-N 3.48Å | ||
| 271 | C | 69.5 | Low | 57.3 | Low | 57 Ų | 57 | 73.5 Ų | 73.5 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | trans | -62.9 | 133.9 | 179.4 | -173.5 | 0 | 0 | 0 | 0 | 109.8 | L244 Y269 P273 V276 | L244-C271 PolarHBondContact O-SG 2.83Å; L244-C271 VanDerWaalsContact O-SG 3.37Å; Y269-C271 PolarHBondContact O-N 2.86Å; C271-P273 VanDerWaalsContact O-N 3.15Å; C271-V276 HydrophobicContact CB-CG2 4.04Å | ||
| 272 | N | 80.8 | Confident | 60.4 | Low | 17 Ų | 17 | 69.2 Ų | 69.2 | 9% | 0.091 | 45% | 0.449 | C | S | . | . | trans | -56.6 | 119.5 | -178.2 | 177.5 | -32.7 | 0 | 0 | 0 | 110.1 | T34 G35 P270 D274 F275 V276 | T34-N272 PolarHBondContact O-ND2 3.3Å; G35-N272 WeakPolarHBondContact CA-ND2 3.46Å; G35-N272 WeakPolarHBondContact CA-OD1 3.45Å; G35-N272 PolarHBondContact N-ND2 2.82Å; P270-N272 PolarHBondContact O-N 3.48Å; N272-D274 PolarHBondContact O-N 3.36Å; N272-D274 WeakPolarHBondContact OD1-CB 3.24Å; N272-D274 PolarHBondContact OD1-N 2.68Å; N272-F275 HydrophobicContact CB-CD2 4.02Å; N272-F275 WeakPolarHBondContact O-CB 3.48Å; N272-F275 PolarHBondContact O-N 3.48Å; N272-V276 PolarHBondContact O-N 2.98Å | ||
| 273 | P | 80.5 | Confident | 63.2 | Low | 53 Ų | 53 | 67.7 Ų | 67.7 | 34% | 0.344 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.1 | -26.7 | -171.4 | 25.6 | -35.3 | 0 | 0 | 0 | 113.2 | G35 C271 F275 V276 C277 | G35-P273 WeakPolarHBondContact O-CG 3.46Å; C271-P273 VanDerWaalsContact O-N 3.15Å; P273-F275 PolarHBondContact O-N 3.27Å; P273-V276 PolarHBondContact O-N 3.14Å; P273-C277 PolarHBondContact O-N 2.92Å |
| 274 | D | 81.5 | Confident | 66.1 | Low | 10 Ų | 10 | 69 Ų | 69 | 5% | 0.053 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -74.1 | -13.5 | 177.4 | -57.2 | -52.5 | 0 | 0 | 0 | 112.3 | R37 P72 N272 C277 | R37-D274 IonicContact CZ-OD1 2.66Å; R37-D274 IonicContact CZ-OD2 3.62Å; R37-D274 IonicContact NH1-OD1 3.1Å; R37-D274 PolarHBondContact NH1-OD1 3.03Å; R37-D274 IonicContact NH1-OD2 2.69Å; R37-D274 PolarHBondContact NH1-OD2 2.63Å; R37-D274 IonicContact NH2-OD1 3.67Å; R37-D274 PolarHBondContact NH2-OD1 3.23Å; R37-D274 IonicContact NH2-OD2 3.52Å; P72-D274 WeakPolarHBondContact CA-OD1 3.33Å; N272-D274 PolarHBondContact O-N 3.36Å; N272-D274 WeakPolarHBondContact OD1-CB 3.24Å; N272-D274 PolarHBondContact OD1-N 2.68Å; D274-C277 PolarHBondContact O-SG 2.66Å; D274-C277 VanDerWaalsContact O-SG 3.35Å |
| 275 | F | 85.6 | Confident | 69.1 | Low | 9 Ų | 9 | 66.2 Ų | 66.2 | 4% | 0.039 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -88.9 | -41.6 | 164.8 | -81.5 | -47.9 | 0 | 0 | 0 | 113 | W171 L174 R175 L178 L244 N272 P273 C277 A278 | W171-F275 AromaticContact CD1-CE2 3.53Å; W171-F275 HydrophobicContact CG-CE2 4.18Å; W171-F275 HydrophobicContact CG-CZ 4.39Å; W171-F275 AromaticContact NE1-CE2 3.9Å; L174-F275 HydrophobicContact CB-CE1 4.2Å; L174-F275 HydrophobicContact CB-CE2 3.99Å; L174-F275 HydrophobicContact CB-CZ 3.65Å; L174-F275 HydrophobicContact CD1-CE2 4.2Å; R175-F275 HydrophobicContact CB-CE1 4.16Å; R175-F275 HydrophobicContact CB-CZ 3.97Å; L178-F275 HydrophobicContact CD2-CD1 3.85Å; L178-F275 HydrophobicContact CD2-CE1 4.03Å; L244-F275 HydrophobicContact CD1-CD1 4.44Å; L244-F275 HydrophobicContact CD2-CB 4Å; L244-F275 HydrophobicContact CD2-CD1 3.77Å; L244-F275 HydrophobicContact CD2-CD2 4.31Å; L244-F275 HydrophobicContact CD2-CE1 4.3Å; L244-F275 HydrophobicContact CD2-CG 3.8Å; N272-F275 HydrophobicContact CB-CD2 4.02Å; N272-F275 WeakPolarHBondContact O-CB 3.48Å; N272-F275 PolarHBondContact O-N 3.48Å; P273-F275 PolarHBondContact O-N 3.27Å; F275-C277 PolarHBondContact O-N 2.75Å; F275-A278 VanDerWaalsContact O-CB 3.3Å; F275-A278 WeakPolarHBondContact O-CB 3.32Å; F275-A278 PolarHBondContact O-N 3.32Å |
| 276 | V | 81.5 | Confident | 72 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 42% | 0.424 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -57.5 | -38.7 | -178.7 | -179.1 | 0 | 0 | 0 | 0 | 111.2 | C271 N272 P273 A278 V279 | C271-V276 HydrophobicContact CB-CG2 4.04Å; N272-V276 PolarHBondContact O-N 2.98Å; P273-V276 PolarHBondContact O-N 3.14Å; V276-A278 PolarHBondContact O-N 3.49Å; V276-A278 VanDerWaalsContact O-N 3.08Å; V276-V279 PolarHBondContact O-N 3.45Å; V276-V279 VanDerWaalsContact O-N 3.13Å |
| 277 | C | 78.3 | Confident | 74.6 | Confident | 51 Ų | 51 | 61.2 Ų | 61.2 | 35% | 0.345 | 32% | 0.321 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -12.3 | 177 | 76.8 | 0 | 0 | 0 | 0 | 114.8 | P273 D274 F275 | P273-C277 PolarHBondContact O-N 2.92Å; D274-C277 PolarHBondContact O-SG 2.66Å; D274-C277 VanDerWaalsContact O-SG 3.35Å; F275-C277 PolarHBondContact O-N 2.75Å |
| 278 | A | 81.5 | Confident | 77.3 | Confident | 12 Ų | 12 | 54.2 Ų | 54.2 | 10% | 0.099 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -20.1 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L178 F275 V276 H281 I282 | L178-A278 HydrophobicContact CD1-CB 4.18Å; L178-A278 HydrophobicContact CD2-CB 3.84Å; F275-A278 VanDerWaalsContact O-CB 3.3Å; F275-A278 WeakPolarHBondContact O-CB 3.32Å; F275-A278 PolarHBondContact O-N 3.32Å; V276-A278 PolarHBondContact O-N 3.49Å; V276-A278 VanDerWaalsContact O-N 3.08Å; A278-H281 WeakPolarHBondContact O-CA 3.02Å; A278-H281 WeakPolarHBondContact O-CB 3.44Å; A278-H281 PolarHBondContact O-N 2.97Å; A278-I282 WeakPolarHBondContact O-CG1 3.4Å; A278-I282 PolarHBondContact O-N 3.07Å |
| 279 | V | 84.8 | Confident | 79.8 | Confident | 31 Ų | 31 | 46.5 Ų | 46.5 | 19% | 0.188 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.4 | -45.6 | -176.8 | 171.9 | 0 | 0 | 0 | 0 | 113.1 | I241 L244 V276 H281 I282 S283 | I241-V279 HydrophobicContact CG1-CG1 4.31Å; I241-V279 HydrophobicContact CG2-CG1 4.13Å; L244-V279 HydrophobicContact CB-CG2 4.03Å; V276-V279 PolarHBondContact O-N 3.45Å; V276-V279 VanDerWaalsContact O-N 3.13Å; V279-H281 VanDerWaalsContact C-N 3.26Å; V279-H281 PolarHBondContact O-N 3.44Å; V279-I282 PolarHBondContact O-N 3.1Å; V279-S283 PolarHBondContact O-N 2.94Å |
| 280 | P | 80.6 | Confident | 82 | Confident | 92 Ų | 92 | 42.6 Ų | 42.6 | 60% | 0.597 | 24% | 0.242 | S | C | * | . | H | α-helix | trans | -62.3 | -33.7 | 174.5 | -22.1 | 34.2 | 0 | 0 | 0 | 112.8 | S283 F284 | P280-S283 PolarHBondContact O-N 3.39Å; P280-F284 WeakPolarHBondContact O-CB 3.49Å; P280-F284 PolarHBondContact O-N 2.82Å |
| 281 | H | 80 | Confident | 83.5 | Confident | 36 Ų | 36 | 42 Ų | 42 | 17% | 0.167 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -72.8 | -37.4 | -178.8 | -175.6 | -100.8 | 0 | 0 | 0 | 112.7 | A4 A278 V279 F284 L285 | A4-H281 WeakPolarHBondContact CB-NE2 3.38Å; A278-H281 WeakPolarHBondContact O-CA 3.02Å; A278-H281 WeakPolarHBondContact O-CB 3.44Å; A278-H281 PolarHBondContact O-N 2.97Å; V279-H281 VanDerWaalsContact C-N 3.26Å; V279-H281 PolarHBondContact O-N 3.44Å; H281-F284 PolarHBondContact O-N 3.08Å; H281-L285 WeakPolarHBondContact O-CG 3.49Å; H281-L285 PolarHBondContact O-N 3.47Å |
| 282 | I | 88.1 | Confident | 84.5 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60 | -48.8 | 170.6 | -62.1 | 162.8 | 0 | 0 | 0 | 109.6 | L178 F181 L240 I241 L244 A278 V279 F284 L285 L286 | L178-I282 HydrophobicContact CD1-CD1 3.81Å; L178-I282 HydrophobicContact CD1-CG1 4.01Å; F181-I282 HydrophobicContact CD1-CG1 4.35Å; F181-I282 HydrophobicContact CD1-CG2 4.42Å; F181-I282 HydrophobicContact CE1-CB 4.17Å; F181-I282 HydrophobicContact CE1-CG1 4.07Å; F181-I282 HydrophobicContact CE1-CG2 3.68Å; F181-I282 HydrophobicContact CZ-CG2 3.88Å; L240-I282 HydrophobicContact CB-CD1 4.22Å; I241-I282 HydrophobicContact CD1-CB 4.08Å; I241-I282 HydrophobicContact CD1-CG2 3.67Å; I241-I282 HydrophobicContact CG1-CB 4.05Å; I241-I282 HydrophobicContact CG1-CD1 4.05Å; I241-I282 HydrophobicContact CG1-CG2 3.79Å; L244-I282 HydrophobicContact CD1-CD1 3.95Å; A278-I282 WeakPolarHBondContact O-CG1 3.4Å; A278-I282 PolarHBondContact O-N 3.07Å; V279-I282 PolarHBondContact O-N 3.1Å; I282-F284 VanDerWaalsContact C-N 3.34Å; I282-F284 PolarHBondContact O-N 3.32Å; I282-L285 PolarHBondContact O-N 2.99Å; I282-L286 HydrophobicContact CG2-CD1 4.2Å; I282-L286 HydrophobicContact CG2-CG 4.4Å; I282-L286 WeakPolarHBondContact O-CG 3.5Å; I282-L286 PolarHBondContact O-N 3.11Å |
| 283 | S | 85.1 | Confident | 85 | Confident | 51 Ų | 51 | 42.2 Ų | 42.2 | 36% | 0.357 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -59 | -44.2 | 178.6 | -167.6 | 0 | 0 | 0 | 0 | 112.1 | V279 P280 L286 N287 | V279-S283 PolarHBondContact O-N 2.94Å; P280-S283 PolarHBondContact O-N 3.39Å; S283-L286 PolarHBondContact O-N 2.97Å; S283-N287 WeakPolarHBondContact O-CB 3.4Å; S283-N287 PolarHBondContact O-N 3.21Å; S283-N287 PolarHBondContact O-ND2 3.19Å; S283-N287 VanDerWaalsContact O-ND2 3.11Å |
| 284 | F | 85.2 | Confident | 85.1 | Confident | 121 Ų | 121 | 46.4 Ų | 46.4 | 53% | 0.531 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60 | -47.4 | 174.8 | -178.8 | -112.7 | 0 | 0 | 0 | 112.8 | P280 H281 I282 L286 N287 N288 | P280-F284 WeakPolarHBondContact O-CB 3.49Å; P280-F284 PolarHBondContact O-N 2.82Å; H281-F284 PolarHBondContact O-N 3.08Å; I282-F284 VanDerWaalsContact C-N 3.34Å; I282-F284 PolarHBondContact O-N 3.32Å; F284-L286 PolarHBondContact O-N 3.4Å; F284-N287 PolarHBondContact O-N 3.26Å; F284-N288 WeakPolarHBondContact CE1-ND2 3.2Å; F284-N288 WeakPolarHBondContact CZ-ND2 3.32Å; F284-N288 WeakPolarHBondContact O-CB 3.29Å; F284-N288 VanDerWaalsContact O-CG 3.28Å; F284-N288 PolarHBondContact O-N 3.27Å |
| 285 | L | 88.8 | Confident | 85.3 | Confident | 9 Ų | 9 | 49.8 Ų | 49.8 | 5% | 0.047 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 176.7 | -76.3 | 174.5 | 0 | 0 | 0 | 112.5 | F181 I182 A185 L189 H281 I282 N288 L289 | F181-L285 HydrophobicContact CE1-CD1 4.18Å; I182-L285 HydrophobicContact CB-CD1 4.43Å; I182-L285 HydrophobicContact CG1-CD1 4.04Å; I182-L285 HydrophobicContact CG2-CD1 4.32Å; A185-L285 HydrophobicContact CB-CB 4.43Å; A185-L285 HydrophobicContact CB-CD1 4.21Å; L189-L285 HydrophobicContact CD1-CD2 3.92Å; H281-L285 WeakPolarHBondContact O-CG 3.49Å; H281-L285 PolarHBondContact O-N 3.47Å; I282-L285 PolarHBondContact O-N 2.99Å; L285-N288 PolarHBondContact O-N 3.5Å; L285-L289 WeakPolarHBondContact O-CB 3.47Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 2.95Å |
| 286 | L | 91 | Very high | 85.5 | Confident | 6 Ų | 6 | 49.3 Ų | 49.3 | 3% | 0.031 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 177 | -66.3 | -177.9 | 0 | 0 | 0 | 112.2 | F181 L233 E234 I282 S283 F284 L289 R290 | F181-L286 HydrophobicContact CE2-CD2 3.71Å; F181-L286 HydrophobicContact CZ-CD2 3.67Å; F181-L286 HydrophobicContact CZ-CG 4.04Å; L233-L286 WeakPolarHBondContact O-CD2 3.31Å; E234-L286 HydrophobicContact CG-CD2 4.04Å; I282-L286 HydrophobicContact CG2-CD1 4.2Å; I282-L286 HydrophobicContact CG2-CG 4.4Å; I282-L286 WeakPolarHBondContact O-CG 3.5Å; I282-L286 PolarHBondContact O-N 3.11Å; S283-L286 PolarHBondContact O-N 2.97Å; F284-L286 PolarHBondContact O-N 3.4Å; L286-L289 HydrophobicContact CD2-CD1 4.42Å; L286-L289 PolarHBondContact O-N 3.41Å; L286-R290 PolarHBondContact O-N 2.91Å |
| 287 | N | 83.9 | Confident | 85.9 | Confident | 68 Ų | 68 | 49.7 Ų | 49.7 | 36% | 0.364 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -65.1 | -41.4 | 176.5 | -67.7 | -24.8 | 0 | 0 | 0 | 111.4 | S283 F284 R290 A291 | S283-N287 WeakPolarHBondContact O-CB 3.4Å; S283-N287 PolarHBondContact O-N 3.21Å; S283-N287 PolarHBondContact O-ND2 3.19Å; S283-N287 VanDerWaalsContact O-ND2 3.11Å; F284-N287 PolarHBondContact O-N 3.26Å; N287-R290 PolarHBondContact O-N 2.96Å; N287-R290 VanDerWaalsContact OD1-CZ 3.27Å; N287-R290 PolarHBondContact OD1-NH1 3.06Å; N287-R290 PolarHBondContact OD1-NH2 2.97Å; N287-A291 WeakPolarHBondContact O-CB 3.45Å; N287-A291 PolarHBondContact O-N 3.17Å |
| 288 | N | 86.9 | Confident | 86 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 27% | 0.273 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.6 | -44.9 | 174.2 | -71.8 | -13.1 | 0 | 0 | 0 | 111.9 | L189 F284 L285 R290 A291 T292 | L189-N288 HydrophobicContact CD2-CB 4.43Å; F284-N288 WeakPolarHBondContact CE1-ND2 3.2Å; F284-N288 WeakPolarHBondContact CZ-ND2 3.32Å; F284-N288 WeakPolarHBondContact O-CB 3.29Å; F284-N288 VanDerWaalsContact O-CG 3.28Å; F284-N288 PolarHBondContact O-N 3.27Å; L285-N288 PolarHBondContact O-N 3.5Å; N288-R290 VanDerWaalsContact C-N 3.3Å; N288-R290 PolarHBondContact O-N 3.34Å; N288-A291 PolarHBondContact O-N 2.98Å; N288-T292 WeakPolarHBondContact O-CB 3.42Å; N288-T292 PolarHBondContact O-N 3.01Å; N288-T292 PolarHBondContact O-OG1 3.46Å |
| 289 | L | 90.9 | Very high | 86.1 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -55.9 | -44.2 | 175.4 | -80 | 169 | 0 | 0 | 0 | 111.8 | A185 V188 L189 F192 I230 L233 L285 L286 R293 | A185-L289 HydrophobicContact CB-CD1 3.89Å; V188-L289 HydrophobicContact CB-CD2 3.88Å; V188-L289 HydrophobicContact CG1-CD2 3.5Å; V188-L289 VanDerWaalsContact CG1-CD2 3.5Å; L189-L289 HydrophobicContact CD2-CD2 3.94Å; L189-L289 HydrophobicContact CD2-CG 4.28Å; L189-L289 HydrophobicContact CG-CD2 3.83Å; L189-L289 HydrophobicContact CG-CG 4.27Å; F192-L289 HydrophobicContact CE2-CD2 4.44Å; I230-L289 HydrophobicContact CD1-CB 4.18Å; I230-L289 HydrophobicContact CD1-CD2 4.46Å; I230-L289 WeakPolarHBondContact CD1-O 3.47Å; I230-L289 HydrophobicContact CG1-CD2 4.44Å; I230-L289 HydrophobicContact CG2-CB 4.06Å; L233-L289 HydrophobicContact CD1-CD1 4.17Å; L285-L289 WeakPolarHBondContact O-CB 3.47Å; L285-L289 WeakPolarHBondContact O-CG 3.42Å; L285-L289 PolarHBondContact O-N 2.95Å; L286-L289 HydrophobicContact CD2-CD1 4.42Å; L286-L289 PolarHBondContact O-N 3.41Å; L289-R293 VanDerWaalsContact O-CB 3.29Å; L289-R293 WeakPolarHBondContact O-CB 3.47Å; L289-R293 PolarHBondContact O-N 3.18Å |
| 290 | R | 86 | Confident | 86.3 | Confident | 86 Ų | 86 | 51.1 Ų | 51.1 | 33% | 0.325 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -61.5 | -52.2 | 172.7 | -100.6 | 179.3 | -82.8 | 111.7 | 6.8 | 112.6 | E234 L286 N287 N288 R293 Q294 | E234-R290 WeakPolarHBondContact OE1-CD 3.41Å; E234-R290 VanDerWaalsContact OE1-CG 3.3Å; E234-R290 WeakPolarHBondContact OE1-CG 3.36Å; E234-R290 IonicContact OE1-CZ 2.73Å; E234-R290 IonicContact OE1-NE 2.64Å; E234-R290 PolarHBondContact OE1-NE 3.43Å; E234-R290 IonicContact OE1-NH2 2.78Å; L286-R290 PolarHBondContact O-N 2.91Å; N287-R290 PolarHBondContact O-N 2.96Å; N287-R290 VanDerWaalsContact OD1-CZ 3.27Å; N287-R290 PolarHBondContact OD1-NH1 3.06Å; N287-R290 PolarHBondContact OD1-NH2 2.97Å; N288-R290 VanDerWaalsContact C-N 3.3Å; N288-R290 PolarHBondContact O-N 3.34Å; R290-R293 PolarHBondContact O-N 3.2Å; R290-Q294 WeakPolarHBondContact O-CG 3.42Å; R290-Q294 PolarHBondContact O-N 3.4Å |
| 291 | A | 84.2 | Confident | 86.3 | Confident | 51 Ų | 51 | 51.3 Ų | 51.3 | 42% | 0.421 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -61.4 | -46.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N287 N288 Q294 N295 | N287-A291 WeakPolarHBondContact O-CB 3.45Å; N287-A291 PolarHBondContact O-N 3.17Å; N288-A291 PolarHBondContact O-N 2.98Å; A291-Q294 PolarHBondContact O-N 3.45Å; A291-N295 VanDerWaalsContact O-CB 3.32Å; A291-N295 WeakPolarHBondContact O-CB 3.47Å; A291-N295 PolarHBondContact O-N 3.25Å |
| 292 | T | 88.8 | Confident | 86.2 | Confident | 34 Ų | 34 | 52.7 Ų | 52.7 | 21% | 0.209 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.4 | -37.3 | 178.4 | -51.8 | 0 | 0 | 0 | 0 | 111.6 | F192 N288 Q294 N295 L296 | F192-T292 HydrophobicContact CB-CG2 3.78Å; F192-T292 HydrophobicContact CD2-CG2 3.9Å; F192-T292 HydrophobicContact CG-CG2 4.26Å; N288-T292 WeakPolarHBondContact O-CB 3.42Å; N288-T292 PolarHBondContact O-N 3.01Å; N288-T292 PolarHBondContact O-OG1 3.46Å; T292-Q294 PolarHBondContact O-N 3.45Å; T292-N295 PolarHBondContact O-N 3.35Å; T292-L296 HydrophobicContact CG2-CD1 4.4Å; T292-L296 HydrophobicContact CG2-CG 4.41Å; T292-L296 VanDerWaalsContact O-CB 3.28Å; T292-L296 WeakPolarHBondContact O-CB 3.38Å; T292-L296 WeakPolarHBondContact O-CG 3.48Å; T292-L296 PolarHBondContact O-N 3.46Å |
| 293 | R | 91.5 | Very high | 85.9 | Confident | 46 Ų | 46 | 53.6 Ų | 53.6 | 17% | 0.174 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 172 | 178.1 | 163.9 | 63.6 | 174.8 | -6.9 | 112 | F192 I225 I230 D231 L289 R290 Y297 | F192-R293 HydrophobicContact CE2-CB 3.99Å; F192-R293 HydrophobicContact CZ-CB 4.2Å; I225-R293 HydrophobicContact CG2-CG 4.34Å; I230-R293 HydrophobicContact CD1-CB 3.65Å; I230-R293 HydrophobicContact CD1-CG 4.13Å; D231-R293 IonicContact OD1-CZ 3.89Å; D231-R293 VanDerWaalsContact OD1-CZ 3.25Å; D231-R293 IonicContact OD1-NH1 2.94Å; D231-R293 PolarHBondContact OD1-NH1 3.36Å; D231-R293 IonicContact OD1-NH2 3.64Å; D231-R293 PolarHBondContact OD1-NH2 3.25Å; D231-R293 IonicContact OD2-NH1 3.37Å; D231-R293 PolarHBondContact OD2-NH1 3.48Å; D231-R293 VanDerWaalsContact OD2-NH1 3.07Å; L289-R293 VanDerWaalsContact O-CB 3.29Å; L289-R293 WeakPolarHBondContact O-CB 3.47Å; L289-R293 PolarHBondContact O-N 3.18Å; R290-R293 PolarHBondContact O-N 3.2Å; R293-Y297 HydrophobicContact CG-CD2 3.94Å; R293-Y297 HydrophobicContact CG-CE2 3.67Å; R293-Y297 WeakPolarHBondContact O-CD2 3.32Å; R293-Y297 PolarHBondContact O-N 2.86Å |
| 294 | Q | 83.9 | Confident | 85.8 | Confident | 140 Ų | 140 | 54.3 Ų | 54.3 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -68.2 | -43.6 | 177.7 | -72.3 | 179.1 | -15.4 | 0 | 0 | 112 | R290 A291 T292 Y297 S298 | R290-Q294 WeakPolarHBondContact O-CG 3.42Å; R290-Q294 PolarHBondContact O-N 3.4Å; A291-Q294 PolarHBondContact O-N 3.45Å; T292-Q294 PolarHBondContact O-N 3.45Å; Q294-Y297 PolarHBondContact O-N 3.06Å; Q294-S298 PolarHBondContact O-N 3.41Å |
| 295 | N | 85.1 | Confident | 85.1 | Confident | 81 Ų | 81 | 52 Ų | 52 | 43% | 0.433 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.9 | -168.4 | -12.9 | 0 | 0 | 0 | 111.2 | A291 T292 Y297 S298 Q299 | A291-N295 VanDerWaalsContact O-CB 3.32Å; A291-N295 WeakPolarHBondContact O-CB 3.47Å; A291-N295 PolarHBondContact O-N 3.25Å; T292-N295 PolarHBondContact O-N 3.35Å; N295-Y297 VanDerWaalsContact C-N 3.35Å; N295-Y297 PolarHBondContact O-N 3.37Å; N295-S298 WeakPolarHBondContact O-CA 3.43Å; N295-S298 WeakPolarHBondContact O-CB 3.29Å; N295-S298 PolarHBondContact O-N 3.09Å; N295-Q299 PolarHBondContact O-N 3.14Å; N295-Q299 PolarHBondContact OD1-NE2 3.41Å |
| 296 | L | 89.4 | Confident | 84.1 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -39.7 | 174 | -80.2 | -179.7 | 0 | 0 | 0 | 113.1 | F192 I195 Q196 L199 I225 T292 S298 W300 | F192-L296 HydrophobicContact CB-CD1 3.54Å; F192-L296 HydrophobicContact CD1-CD1 3.52Å; F192-L296 HydrophobicContact CD2-CD1 4.13Å; F192-L296 HydrophobicContact CE1-CD1 4.16Å; F192-L296 HydrophobicContact CG-CD1 3.47Å; F192-L296 VanDerWaalsContact CG-CD1 3.47Å; I195-L296 HydrophobicContact CB-CD1 4.39Å; I195-L296 HydrophobicContact CB-CD2 4.36Å; I195-L296 HydrophobicContact CG2-CD1 4.37Å; I195-L296 HydrophobicContact CG2-CD2 4Å; Q196-L296 HydrophobicContact CB-CD2 3.81Å; Q196-L296 HydrophobicContact CG-CD2 4.37Å; L199-L296 HydrophobicContact CD1-CD2 3.94Å; I225-L296 HydrophobicContact CD1-CB 4.06Å; I225-L296 HydrophobicContact CG1-CB 4.41Å; I225-L296 HydrophobicContact CG1-CD1 4.39Å; I225-L296 HydrophobicContact CG2-CB 4.5Å; T292-L296 HydrophobicContact CG2-CD1 4.4Å; T292-L296 HydrophobicContact CG2-CG 4.41Å; T292-L296 VanDerWaalsContact O-CB 3.28Å; T292-L296 WeakPolarHBondContact O-CB 3.38Å; T292-L296 WeakPolarHBondContact O-CG 3.48Å; T292-L296 PolarHBondContact O-N 3.46Å; L296-S298 VanDerWaalsContact C-N 3.33Å; L296-W300 WeakPolarHBondContact O-CB 3.43Å; L296-W300 PolarHBondContact O-N 3.22Å |
| 297 | Y | 89.5 | Confident | 83.3 | Confident | 78 Ų | 78 | 57.7 Ų | 57.7 | 31% | 0.306 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -66.4 | -34.6 | 173.7 | -79.9 | -52.4 | 0 | 0 | 0 | 112.6 | K222 I225 G226 R293 Q294 N295 W300 Q301 | K222-Y297 HydrophobicContact CG-CE1 4.26Å; I225-Y297 HydrophobicContact CB-CE1 4.11Å; I225-Y297 HydrophobicContact CD1-CD1 4.44Å; I225-Y297 HydrophobicContact CG2-CD1 4.15Å; I225-Y297 HydrophobicContact CG2-CD2 4.28Å; I225-Y297 HydrophobicContact CG2-CE1 3.7Å; I225-Y297 HydrophobicContact CG2-CE2 3.86Å; I225-Y297 HydrophobicContact CG2-CG 4.41Å; G226-Y297 WeakPolarHBondContact CA-OH 3.47Å; R293-Y297 HydrophobicContact CG-CD2 3.94Å; R293-Y297 HydrophobicContact CG-CE2 3.67Å; R293-Y297 WeakPolarHBondContact O-CD2 3.32Å; R293-Y297 PolarHBondContact O-N 2.86Å; Q294-Y297 PolarHBondContact O-N 3.06Å; N295-Y297 VanDerWaalsContact C-N 3.35Å; N295-Y297 PolarHBondContact O-N 3.37Å; Y297-W300 PolarHBondContact O-N 3.03Å; Y297-Q301 VanDerWaalsContact O-CG 3.29Å; Y297-Q301 WeakPolarHBondContact O-CG 3.44Å; Y297-Q301 PolarHBondContact O-N 3.35Å |
| 298 | S | 80.2 | Confident | 82.6 | Confident | 73 Ų | 73 | 56.9 Ų | 56.9 | 51% | 0.51 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -67.7 | -48 | 174.8 | -168.5 | 0 | 0 | 0 | 0 | 112.2 | Q294 N295 L296 W300 Q301 T302 | Q294-S298 PolarHBondContact O-N 3.41Å; N295-S298 WeakPolarHBondContact O-CA 3.43Å; N295-S298 WeakPolarHBondContact O-CB 3.29Å; N295-S298 PolarHBondContact O-N 3.09Å; L296-S298 VanDerWaalsContact C-N 3.33Å; S298-W300 VanDerWaalsContact C-N 3.3Å; S298-W300 PolarHBondContact O-N 3.09Å; S298-Q301 PolarHBondContact O-N 3.12Å; S298-T302 PolarHBondContact O-N 3.35Å; S298-T302 PolarHBondContact O-OG1 2.94Å |
| 299 | Q | 83.5 | Confident | 81.3 | Confident | 36 Ų | 36 | 60.3 Ų | 60.3 | 17% | 0.168 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.2 | -40.3 | 172.6 | -70.1 | -178.3 | 56 | 0 | 0 | 111.2 | L199 N295 T302 H303 | L199-Q299 HydrophobicContact CD1-CB 4.03Å; N295-Q299 PolarHBondContact O-N 3.14Å; N295-Q299 PolarHBondContact OD1-NE2 3.41Å; Q299-T302 PolarHBondContact O-N 3.11Å; Q299-H303 WeakPolarHBondContact O-CB 3.22Å; Q299-H303 PolarHBondContact O-N 3.48Å |
| 300 | W | 90.6 | Very high | 79.8 | Confident | 14 Ų | 14 | 61 Ų | 61 | 5% | 0.053 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -62.8 | -44.4 | 177 | -176.1 | 89.1 | 0 | 0 | 0 | 112.5 | L199 H218 K222 I225 L296 Y297 S298 H303 K304 | L199-W300 HydrophobicContact CD1-CB 4.29Å; H218-W300 AromaticContact CD2-CE2 3.8Å; H218-W300 AromaticContact CD2-CZ2 3.89Å; H218-W300 AromaticContact CD2-NE1 3.72Å; H218-W300 AromaticContact CE1-CD1 3.09Å; H218-W300 AromaticContact CE1-CD2 3.96Å; H218-W300 AromaticContact CE1-CE2 3.64Å; H218-W300 AromaticContact CE1-CG 3.59Å; H218-W300 AromaticContact CE1-NE1 3.1Å; H218-W300 PolarHBondContact CE1-NE1 2.94Å; H218-W300 PolarHBondContact CE1-O 3.34Å; H218-W300 AromaticContact CG-NE1 3.68Å; H218-W300 AromaticContact ND1-CD1 3.53Å; H218-W300 AromaticContact ND1-NE1 3.31Å; H218-W300 PolarHBondContact ND1-NE1 3.32Å; H218-W300 AromaticContact NE2-CD1 3.69Å; H218-W300 AromaticContact NE2-CD2 3.8Å; H218-W300 AromaticContact NE2-CE2 3.4Å; H218-W300 AromaticContact NE2-CG 3.91Å; H218-W300 AromaticContact NE2-CZ2 3.86Å; H218-W300 AromaticContact NE2-NE1 3.35Å; H218-W300 PolarHBondContact NE2-NE1 2.99Å; H218-W300 PolarHBondContact NE2-O 3.25Å; H218-W300 PolarHBondContact O-NE1 3.4Å; K222-W300 HydrophobicContact CB-CD2 4.21Å; K222-W300 HydrophobicContact CB-CZ2 3.79Å; K222-W300 HydrophobicContact CD-CD2 4.27Å; K222-W300 HydrophobicContact CD-CE3 4.1Å; K222-W300 HydrophobicContact CD-CH2 3.64Å; K222-W300 HydrophobicContact CD-CZ2 3.8Å; K222-W300 HydrophobicContact CD-CZ3 3.78Å; K222-W300 HydrophobicContact CG-CD2 4.44Å; K222-W300 HydrophobicContact CG-CZ2 4.34Å; I225-W300 HydrophobicContact CD1-CB 4.15Å; I225-W300 HydrophobicContact CD1-CG 4.34Å; L296-W300 WeakPolarHBondContact O-CB 3.43Å; L296-W300 PolarHBondContact O-N 3.22Å; Y297-W300 PolarHBondContact O-N 3.03Å; S298-W300 VanDerWaalsContact C-N 3.3Å; S298-W300 PolarHBondContact O-N 3.09Å; W300-H303 PolarHBondContact O-N 3.12Å; W300-K304 HydrophobicContact CH2-CB 4.27Å; W300-K304 HydrophobicContact CH2-CD 3.69Å; W300-K304 HydrophobicContact CH2-CG 4Å; W300-K304 HydrophobicContact CZ2-CG 4.39Å; W300-K304 HydrophobicContact CZ3-CB 4.3Å; W300-K304 HydrophobicContact CZ3-CD 3.98Å; W300-K304 HydrophobicContact CZ3-CG 4.42Å; W300-K304 WeakPolarHBondContact O-CB 3.42Å; W300-K304 PolarHBondContact O-N 3.07Å |
| 301 | Q | 80.5 | Confident | 78.8 | Confident | 97 Ų | 97 | 58.6 Ų | 58.6 | 45% | 0.453 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 175.1 | -69.1 | -75.3 | 31.2 | 0 | 0 | 111.2 | Y297 S298 H303 K304 V305 | Y297-Q301 VanDerWaalsContact O-CG 3.29Å; Y297-Q301 WeakPolarHBondContact O-CG 3.44Å; Y297-Q301 PolarHBondContact O-N 3.35Å; S298-Q301 PolarHBondContact O-N 3.12Å; Q301-H303 PolarHBondContact O-N 2.82Å; Q301-K304 WeakPolarHBondContact O-CB 3.37Å; Q301-K304 PolarHBondContact O-N 3.16Å; Q301-K304 VanDerWaalsContact O-N 3.11Å; Q301-V305 WeakPolarHBondContact O-CG2 3.46Å; Q301-V305 PolarHBondContact O-N 3.46Å |
| 302 | T | 77.1 | Confident | 77.3 | Confident | 65 Ų | 65 | 62 Ų | 62 | 40% | 0.399 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 111.6 | S298 Q299 K304 V305 R306 | S298-T302 PolarHBondContact O-N 3.35Å; S298-T302 PolarHBondContact O-OG1 2.94Å; Q299-T302 PolarHBondContact O-N 3.11Å; T302-K304 VanDerWaalsContact C-N 3.35Å; T302-V305 PolarHBondContact O-N 2.71Å; T302-R306 PolarHBondContact O-N 2.76Å |
| 303 | H | 81.6 | Confident | 75.4 | Confident | 19 Ų | 19 | 65.5 Ų | 65.5 | 9% | 0.088 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -66.9 | -34.9 | 174.7 | -172.2 | -126.6 | 0 | 0 | 0 | 112 | L199 H218 Q299 W300 Q301 V305 R306 L307 | L199-H303 HydrophobicContact CD2-CB 3.89Å; H218-H303 AromaticContact CE1-CG 3.75Å; H218-H303 AromaticContact CE1-ND1 3.19Å; H218-H303 PolarHBondContact CE1-ND1 3.31Å; H218-H303 AromaticContact CG-ND1 3.7Å; H218-H303 AromaticContact ND1-CE1 3.97Å; H218-H303 AromaticContact ND1-ND1 3.08Å; H218-H303 PolarHBondContact ND1-ND1 3.46Å; H218-H303 AromaticContact NE2-ND1 3.84Å; Q299-H303 WeakPolarHBondContact O-CB 3.22Å; Q299-H303 PolarHBondContact O-N 3.48Å; W300-H303 PolarHBondContact O-N 3.12Å; Q301-H303 PolarHBondContact O-N 2.82Å; H303-V305 PolarHBondContact O-N 3.34Å; H303-R306 PolarHBondContact O-N 3Å; H303-L307 VanDerWaalsContact CE1-CD1 3.49Å; H303-L307 WeakPolarHBondContact CE1-CD1 3.41Å; H303-L307 PolarHBondContact O-N 3.17Å |
| 304 | K | 83.6 | Confident | 73.7 | Confident | 66 Ų | 66 | 65.2 Ų | 65.2 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.8 | -46.4 | 176.4 | -163.6 | -153.6 | -177.3 | -72.1 | 0 | 110.7 | H218 W300 Q301 T302 R306 L307 D308 | H218-K304 VanDerWaalsContact NE2-CA 3.27Å; H218-K304 WeakPolarHBondContact NE2-CA 3.14Å; H218-K304 WeakPolarHBondContact NE2-CB 2.93Å; H218-K304 PolarHBondContact NE2-N 2.93Å; W300-K304 HydrophobicContact CH2-CB 4.27Å; W300-K304 HydrophobicContact CH2-CD 3.69Å; W300-K304 HydrophobicContact CH2-CG 4Å; W300-K304 HydrophobicContact CZ2-CG 4.39Å; W300-K304 HydrophobicContact CZ3-CB 4.3Å; W300-K304 HydrophobicContact CZ3-CD 3.98Å; W300-K304 HydrophobicContact CZ3-CG 4.42Å; W300-K304 WeakPolarHBondContact O-CB 3.42Å; W300-K304 PolarHBondContact O-N 3.07Å; Q301-K304 WeakPolarHBondContact O-CB 3.37Å; Q301-K304 PolarHBondContact O-N 3.16Å; Q301-K304 VanDerWaalsContact O-N 3.11Å; T302-K304 VanDerWaalsContact C-N 3.35Å; K304-R306 VanDerWaalsContact C-N 3.32Å; K304-R306 PolarHBondContact O-N 3.41Å; K304-L307 PolarHBondContact O-N 3.3Å; K304-D308 IonicContact NZ-OD1 2.79Å; K304-D308 PolarHBondContact NZ-OD1 2.92Å; K304-D308 IonicContact NZ-OD2 2.75Å; K304-D308 PolarHBondContact NZ-OD2 3.33Å; K304-D308 WeakPolarHBondContact O-CB 3.29Å; K304-D308 VanDerWaalsContact O-CG 3.25Å; K304-D308 PolarHBondContact O-N 3.48Å |
| 305 | V | 70.8 | Confident | 72.2 | Confident | 72 Ų | 72 | 61 Ų | 61 | 44% | 0.436 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.5 | -41.8 | 179.2 | 172.8 | 0 | 0 | 0 | 0 | 111 | Q301 T302 H303 Q309 | Q301-V305 WeakPolarHBondContact O-CG2 3.46Å; Q301-V305 PolarHBondContact O-N 3.46Å; T302-V305 PolarHBondContact O-N 2.71Å; H303-V305 PolarHBondContact O-N 3.34Å; V305-Q309 HydrophobicContact CG1-CG 4.44Å; V305-Q309 VanDerWaalsContact O-CB 3.3Å; V305-Q309 WeakPolarHBondContact O-CB 3.38Å; V305-Q309 WeakPolarHBondContact O-CG 3.45Å; V305-Q309 PolarHBondContact O-N 3.42Å |
| 306 | R | 66.4 | Low | 70.4 | Confident | 132 Ų | 132 | 64.7 Ų | 64.7 | 50% | 0.498 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 174.7 | -63.4 | 178.5 | -163.3 | 162.8 | 4 | 112.5 | T302 H303 K304 Q309 C310 | T302-R306 PolarHBondContact O-N 2.76Å; H303-R306 PolarHBondContact O-N 3Å; K304-R306 VanDerWaalsContact C-N 3.32Å; K304-R306 PolarHBondContact O-N 3.41Å; R306-Q309 PolarHBondContact O-N 3.47Å; R306-C310 WeakPolarHBondContact O-CB 3.49Å; R306-C310 PolarHBondContact O-N 3.07Å |
| 307 | L | 74.6 | Confident | 68.2 | Low | 3 Ų | 3 | 69 Ų | 69 | 2% | 0.016 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -70 | -39.4 | 179.1 | -74.4 | 175.4 | 0 | 0 | 0 | 112.7 | P205 A214 L215 H218 H303 K304 C310 F311 | P205-L307 HydrophobicContact CG-CD2 4.08Å; A214-L307 HydrophobicContact CB-CD2 3.88Å; L215-L307 HydrophobicContact CD2-CB 3.59Å; L215-L307 HydrophobicContact CD2-CD1 4.48Å; L215-L307 HydrophobicContact CG-CB 4.09Å; H218-L307 HydrophobicContact CB-CD1 3.58Å; H303-L307 VanDerWaalsContact CE1-CD1 3.49Å; H303-L307 WeakPolarHBondContact CE1-CD1 3.41Å; H303-L307 PolarHBondContact O-N 3.17Å; K304-L307 PolarHBondContact O-N 3.3Å; L307-C310 PolarHBondContact O-N 3.03Å; L307-F311 WeakPolarHBondContact O-CB 3.46Å; L307-F311 PolarHBondContact O-N 3.45Å |
| 308 | D | 69.5 | Low | 66 | Low | 51 Ų | 51 | 69.3 Ų | 69.3 | 27% | 0.273 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -60.8 | -45.5 | 172.5 | -69.5 | -35.4 | 0 | 0 | 0 | 110.2 | K304 F311 Q312 | K304-D308 IonicContact NZ-OD1 2.79Å; K304-D308 PolarHBondContact NZ-OD1 2.92Å; K304-D308 IonicContact NZ-OD2 2.75Å; K304-D308 PolarHBondContact NZ-OD2 3.33Å; K304-D308 WeakPolarHBondContact O-CB 3.29Å; K304-D308 VanDerWaalsContact O-CG 3.25Å; K304-D308 PolarHBondContact O-N 3.48Å; D308-F311 PolarHBondContact O-N 2.88Å; D308-Q312 WeakPolarHBondContact O-CB 3.22Å; D308-Q312 VanDerWaalsContact O-CG 3.24Å; D308-Q312 WeakPolarHBondContact O-CG 3.29Å; D308-Q312 PolarHBondContact O-N 3.47Å |
| 309 | Q | 60.1 | Low | 63.9 | Low | 123 Ų | 123 | 69.4 Ų | 69.4 | 58% | 0.575 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -61 | -45.1 | 176.1 | -76.3 | 168.4 | -16.5 | 0 | 0 | 111.9 | V305 R306 Q312 L313 | V305-Q309 HydrophobicContact CG1-CG 4.44Å; V305-Q309 VanDerWaalsContact O-CB 3.3Å; V305-Q309 WeakPolarHBondContact O-CB 3.38Å; V305-Q309 WeakPolarHBondContact O-CG 3.45Å; V305-Q309 PolarHBondContact O-N 3.42Å; R306-Q309 PolarHBondContact O-N 3.47Å; Q309-Q312 PolarHBondContact O-N 2.69Å; Q309-L313 WeakPolarHBondContact O-CB 3.43Å; Q309-L313 PolarHBondContact O-N 3.1Å |
| 310 | C | 58 | Low | 61.6 | Low | 14 Ų | 14 | 70.9 Ų | 70.9 | 10% | 0.095 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.6 | -166.9 | 0 | 0 | 0 | 0 | 111.7 | R306 L307 L313 K314 | R306-C310 WeakPolarHBondContact O-CB 3.49Å; R306-C310 PolarHBondContact O-N 3.07Å; L307-C310 PolarHBondContact O-N 3.03Å; C310-L313 WeakPolarHBondContact O-CB 3.32Å; C310-L313 PolarHBondContact O-N 3.35Å; C310-K314 WeakPolarHBondContact O-CG 3.47Å; C310-K314 PolarHBondContact O-N 2.98Å |
| 311 | F | 65.5 | Low | 58.9 | Low | 36 Ų | 36 | 76.4 Ų | 76.4 | 16% | 0.158 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.7 | -40.9 | 176.5 | 174.5 | -100.9 | 0 | 0 | 0 | 112.4 | I208 A211 K212 L215 L307 D308 K314 L315 | I208-F311 HydrophobicContact CG2-CE2 4.1Å; A211-F311 HydrophobicContact CB-CB 4.21Å; A211-F311 HydrophobicContact CB-CD2 4.06Å; K212-F311 HydrophobicContact CD-CE2 4.4Å; K212-F311 HydrophobicContact CG-CD2 4.21Å; K212-F311 HydrophobicContact CG-CE2 3.68Å; L215-F311 HydrophobicContact CD1-CB 3.6Å; L215-F311 HydrophobicContact CD1-CD1 4.23Å; L215-F311 HydrophobicContact CD1-CD2 4.21Å; L215-F311 HydrophobicContact CD1-CG 3.74Å; L307-F311 WeakPolarHBondContact O-CB 3.46Å; L307-F311 PolarHBondContact O-N 3.45Å; D308-F311 PolarHBondContact O-N 2.88Å; F311-K314 PolarHBondContact O-N 3.36Å; F311-L315 HydrophobicContact CE1-CD2 4.07Å; F311-L315 HydrophobicContact CZ-CD1 4.35Å; F311-L315 HydrophobicContact CZ-CD2 4.2Å; F311-L315 VanDerWaalsContact O-CB 3.25Å; F311-L315 WeakPolarHBondContact O-CB 3.48Å; F311-L315 PolarHBondContact O-N 3.19Å |
| 312 | Q | 53.3 | Low | 56.7 | Low | 123 Ų | 123 | 77 Ų | 77 | 58% | 0.575 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -62.6 | -44.4 | 174.3 | -71.5 | -69.5 | -30.3 | 0 | 0 | 111.7 | D308 Q309 K314 L315 F316 | D308-Q312 WeakPolarHBondContact O-CB 3.22Å; D308-Q312 VanDerWaalsContact O-CG 3.24Å; D308-Q312 WeakPolarHBondContact O-CG 3.29Å; D308-Q312 PolarHBondContact O-N 3.47Å; Q309-Q312 PolarHBondContact O-N 2.69Å; Q312-K314 PolarHBondContact O-N 2.99Å; Q312-L315 PolarHBondContact O-N 3.45Å; Q312-F316 WeakPolarHBondContact O-CB 3.46Å; Q312-F316 PolarHBondContact O-N 2.87Å |
| 313 | L | 48.6 | Very low | 54.7 | Low | 106 Ų | 106 | 79.9 Ų | 79.9 | 56% | 0.555 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -57.9 | -47.7 | 175.6 | -163.6 | 83.5 | 0 | 0 | 0 | 111.2 | Q309 C310 F316 E317 | Q309-L313 WeakPolarHBondContact O-CB 3.43Å; Q309-L313 PolarHBondContact O-N 3.1Å; C310-L313 WeakPolarHBondContact O-CB 3.32Å; C310-L313 PolarHBondContact O-N 3.35Å; L313-F316 PolarHBondContact O-N 2.8Å; L313-E317 PolarHBondContact O-N 3.5Å; L313-E317 VanDerWaalsContact O-N 3.1Å |
| 314 | K | 56.7 | Low | 52.2 | Low | 40 Ų | 40 | 84.2 Ų | 84.2 | 17% | 0.174 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -70.7 | -36.4 | -179.6 | -65.4 | -62.9 | 169.9 | -165.1 | 0 | 113.3 | A206 I208 C310 F311 Q312 F316 E317 Q318 | A206-K314 WeakPolarHBondContact O-CE 3.49Å; A206-K314 PolarHBondContact O-NZ 3.06Å; I208-K314 VanDerWaalsContact CD1-O 3.29Å; I208-K314 WeakPolarHBondContact CD1-O 3.38Å; I208-K314 HydrophobicContact CG1-CB 3.75Å; I208-K314 WeakPolarHBondContact CG1-O 3.39Å; C310-K314 WeakPolarHBondContact O-CG 3.47Å; C310-K314 PolarHBondContact O-N 2.98Å; F311-K314 PolarHBondContact O-N 3.36Å; Q312-K314 PolarHBondContact O-N 2.99Å; K314-F316 VanDerWaalsContact C-N 3.32Å; K314-F316 PolarHBondContact O-N 3.07Å; K314-E317 WeakPolarHBondContact CD-OE2 3.26Å; K314-E317 IonicContact NZ-OE1 2.68Å; K314-E317 PolarHBondContact NZ-OE1 2.88Å; K314-E317 IonicContact NZ-OE2 3.74Å; K314-E317 PolarHBondContact NZ-OE2 3Å; K314-E317 PolarHBondContact O-N 3.18Å; K314-Q318 PolarHBondContact O-N 3.3Å |
| 315 | L | 51.8 | Low | 49.8 | Very low | 51 Ų | 51 | 86.3 Ų | 86.3 | 27% | 0.267 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.3 | -41.7 | 174.5 | -170.1 | 66.7 | 0 | 0 | 0 | 111.3 | I208 F311 Q312 Q318 D319 | I208-L315 HydrophobicContact CD1-CD1 4.35Å; F311-L315 HydrophobicContact CE1-CD2 4.07Å; F311-L315 HydrophobicContact CZ-CD1 4.35Å; F311-L315 HydrophobicContact CZ-CD2 4.2Å; F311-L315 VanDerWaalsContact O-CB 3.25Å; F311-L315 WeakPolarHBondContact O-CB 3.48Å; F311-L315 PolarHBondContact O-N 3.19Å; Q312-L315 PolarHBondContact O-N 3.45Å; L315-Q318 PolarHBondContact O-N 2.68Å; L315-D319 PolarHBondContact O-N 3.37Å |
| 316 | F | 46.7 | Very low | 47.8 | Very low | 160 Ų | 160 | 91.7 Ų | 91.7 | 70% | 0.702 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.6 | -43 | 174.6 | -179.7 | -97.9 | 0 | 0 | 0 | 112.6 | Q312 L313 K314 Q318 D319 A320 | Q312-F316 WeakPolarHBondContact O-CB 3.46Å; Q312-F316 PolarHBondContact O-N 2.87Å; L313-F316 PolarHBondContact O-N 2.8Å; K314-F316 VanDerWaalsContact C-N 3.32Å; K314-F316 PolarHBondContact O-N 3.07Å; F316-Q318 VanDerWaalsContact C-N 3.32Å; F316-Q318 PolarHBondContact O-N 3.43Å; F316-D319 PolarHBondContact O-N 2.99Å; F316-A320 PolarHBondContact O-N 3.16Å |
| 317 | E | 43.1 | Very low | 46 | Very low | 91 Ų | 91 | 91.7 Ų | 91.7 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -55.6 | -43.5 | 173.9 | -72.8 | 172.9 | -160.7 | 0 | 0 | 112.1 | L313 K314 | L313-E317 PolarHBondContact O-N 3.5Å; L313-E317 VanDerWaalsContact O-N 3.1Å; K314-E317 WeakPolarHBondContact CD-OE2 3.26Å; K314-E317 IonicContact NZ-OE1 2.68Å; K314-E317 PolarHBondContact NZ-OE1 2.88Å; K314-E317 IonicContact NZ-OE2 3.74Å; K314-E317 PolarHBondContact NZ-OE2 3Å; K314-E317 PolarHBondContact O-N 3.18Å |
| 318 | Q | 43.2 | Very low | 43.8 | Very low | 84 Ų | 84 | 96.2 Ų | 96.2 | 39% | 0.393 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -77.5 | -37 | -178 | -179.5 | 177 | 86.8 | 0 | 0 | 114.1 | I208 K314 L315 F316 A320 D321 K322 | I208-Q318 HydrophobicContact CD1-CB 3.3Å; I208-Q318 HydrophobicContact CD1-CG 3.98Å; K314-Q318 PolarHBondContact O-N 3.3Å; L315-Q318 PolarHBondContact O-N 2.68Å; F316-Q318 VanDerWaalsContact C-N 3.32Å; F316-Q318 PolarHBondContact O-N 3.43Å; Q318-A320 PolarHBondContact O-N 3.34Å; Q318-D321 PolarHBondContact O-N 3.4Å; Q318-K322 HydrophobicContact CG-CD 4.45Å; Q318-K322 PolarHBondContact O-N 2.93Å; Q318-K322 VanDerWaalsContact OE1-CE 3.3Å |
| 319 | D | 37.6 | Very low | 41.9 | Very low | 74 Ų | 74 | 101.8 Ų | 101.8 | 40% | 0.396 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -73.5 | -21.6 | -178.9 | -74.6 | -14 | 0 | 0 | 0 | 111.8 | L315 F316 K322 V323 | L315-D319 PolarHBondContact O-N 3.37Å; F316-D319 PolarHBondContact O-N 2.99Å; D319-K322 IonicContact OD1-NZ 2.68Å; D319-K322 PolarHBondContact OD1-NZ 2.78Å; D319-V323 WeakPolarHBondContact O-CG2 3.39Å |
| 320 | A | 35.1 | Very low | 40.4 | Very low | 68 Ų | 68 | 104.3 Ų | 104.3 | 56% | 0.562 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -60.6 | -44.2 | 166 | 0 | 0 | 0 | 0 | 0 | 112.7 | F316 Q318 | F316-A320 PolarHBondContact O-N 3.16Å; Q318-A320 PolarHBondContact O-N 3.34Å |
| 321 | D | 33 | Very low | 38.8 | Very low | 129 Ų | 129 | 112 Ų | 112 | 69% | 0.69 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.9 | -42 | 179.1 | -86.9 | -20.2 | 0 | 0 | 0 | 112.8 | Q318 V323 S324 | Q318-D321 PolarHBondContact O-N 3.4Å; D321-V323 VanDerWaalsContact C-N 3.31Å; D321-V323 PolarHBondContact O-N 3.47Å; D321-S324 WeakPolarHBondContact O-CB 3.5Å; D321-S324 PolarHBondContact O-N 3.16Å |
| 322 | K | 35.3 | Very low | 37 | Very low | 109 Ų | 109 | 117.4 Ų | 117.4 | 47% | 0.474 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -64.3 | -32 | -172.4 | -72.6 | 178.5 | -165.7 | 137.7 | 0 | 114 | Q318 D319 S324 | Q318-K322 HydrophobicContact CG-CD 4.45Å; Q318-K322 PolarHBondContact O-N 2.93Å; Q318-K322 VanDerWaalsContact OE1-CE 3.3Å; D319-K322 IonicContact OD1-NZ 2.68Å; D319-K322 PolarHBondContact OD1-NZ 2.78Å; K322-S324 PolarHBondContact O-N 3.29Å |
| 323 | V | 34.3 | Very low | 35.9 | Very low | 127 Ų | 127 | 116.4 Ų | 116.4 | 77% | 0.77 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -19 | -178.1 | 174 | 0 | 0 | 0 | 0 | 111.9 | D319 D321 C325 | D319-V323 WeakPolarHBondContact O-CG2 3.39Å; D321-V323 VanDerWaalsContact C-N 3.31Å; D321-V323 PolarHBondContact O-N 3.47Å; V323-C325 PolarHBondContact O-N 3.04Å |
| 324 | S | 29.7 | Very low | 34.7 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -22.5 | -178.1 | -170.9 | 0 | 0 | 0 | 0 | 115.6 | D321 K322 | D321-S324 WeakPolarHBondContact O-CB 3.5Å; D321-S324 PolarHBondContact O-N 3.16Å; K322-S324 PolarHBondContact O-N 3.29Å |
| 325 | C | 31.6 | Very low | 33.3 | Very low | 109 Ų | 109 | 123.7 Ų | 123.7 | 74% | 0.736 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -113.1 | -12.3 | -154.4 | -153.4 | 0 | 0 | 0 | 0 | 116.9 | V323 | V323-C325 PolarHBondContact O-N 3.04Š|
| 326 | F | 28.9 | Very low | 32.2 | Very low | 186 Ų | 186 | 125.7 Ų | 125.7 | 82% | 0.816 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 13.9 | -166.6 | -139.9 | -96.3 | 0 | 0 | 0 | 116.5 | C328 | F326-C328 VanDerWaalsContact C-N 3.31Å; F326-C328 PolarHBondContact O-N 3.39Å |
| 327 | C | 29 | Very low | 31.4 | Very low | 131 Ų | 131 | 124.2 Ų | 124.2 | 89% | 0.885 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | 4.1 | 178.8 | -75.2 | 0 | 0 | 0 | 0 | 114.8 | ||
| 328 | C | 29.9 | Very low | 30.7 | Very low | 99 Ų | 99 | 130.2 Ų | 130.2 | 67% | 0.669 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -124.7 | 143.7 | 177 | -69.9 | 0 | 0 | 0 | 0 | 109.7 | F326 | F326-C328 VanDerWaalsContact C-N 3.31Å; F326-C328 PolarHBondContact O-N 3.39Å |
| 329 | F | 28.4 | Very low | 29.9 | Very low | 168 Ų | 168 | 136.9 Ų | 136.9 | 74% | 0.737 | 73% | 0.73 | S | S | * | * | S | Bend | trans | 66.2 | 126.7 | -159.3 | -58 | -94.7 | 0 | 0 | 0 | 112.6 | ||
| 330 | F | 29.3 | Very low | 29.6 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 77% | 0.772 | 73% | 0.728 | S | S | * | * | cis | -134.1 | 119.5 | 6.2 | -70.1 | -93.4 | 0 | 0 | 0 | 111.9 | ||||
| 331 | L | 23.3 | Very low | 29.4 | Very low | 176 Ų | 176 | 141.9 Ų | 141.9 | 92% | 0.921 | 74% | 0.738 | S | S | * | * | trans | -132 | 128.7 | 153.8 | -83.1 | 172.1 | 0 | 0 | 0 | 107.9 | ||||
| 332 | N | 29.2 | Very low | 29.5 | Very low | 149 Ų | 149 | 140.3 Ų | 140.3 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -142.9 | 165.7 | -176.3 | -113.6 | -17 | 0 | 0 | 0 | 108.9 | ||||
| 333 | P | 28.7 | Very low | 29.8 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 66% | 0.662 | 74% | 0.736 | S | S | * | * | trans | -128 | -168.9 | -136.1 | 32.3 | -10.3 | 0 | 0 | 0 | 115.1 | ||||
| 334 | I | 24.8 | Very low | 30 | Very low | 154 Ų | 154 | 134 Ų | 134 | 79% | 0.79 | 71% | 0.706 | S | S | * | * | trans | 77.8 | 98.2 | 163.4 | -47.3 | 166.8 | 0 | 0 | 0 | 117.2 | ||||
| 335 | V | 26.2 | Very low | 30.5 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 87% | 0.873 | 71% | 0.706 | S | S | * | * | -144.4 | 151.1 | 127.2 | 175.2 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 336 | S | 28.7 | Very low | 31 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | trans | -138.7 | 131.2 | -177.5 | -93.1 | 0 | 0 | 0 | 0 | 115 | ||||
| 337 | I | 29.5 | Very low | 31.7 | Very low | 129 Ų | 129 | 132.4 Ų | 132.4 | 66% | 0.662 | 67% | 0.674 | S | S | * | * | trans | 83.5 | 150.3 | 130.4 | -66.9 | 171.8 | 0 | 0 | 0 | 120.4 | ||||
| 338 | Y | 28.1 | Very low | 32.4 | Very low | 216 Ų | 216 | 132 Ų | 132 | 85% | 0.847 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 74.2 | 75.7 | 168.5 | -60.6 | -40.5 | 0 | 0 | 0 | 123.3 | ||
| 339 | R | 26.8 | Very low | 33.1 | Very low | 225 Ų | 225 | 132.8 Ų | 132.8 | 85% | 0.849 | 65% | 0.653 | S | S | * | * | S | Bend | -163.4 | 21.4 | 124.6 | -113.8 | 174.8 | -176.9 | -177.8 | 1 | 114.8 | H341 Y416 | R339-H341 PolarHBondContact O-N 3.41Å; R339-Y416 VanDerWaalsContact C-CE2 3.46Å; R339-Y416 HydrophobicContact CB-CE2 3.94Å; R339-Y416 PolarHBondContact O-OH 2.98Å | |
| 340 | F | 31.3 | Very low | 34.1 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 35% | 0.346 | 64% | 0.639 | S | S | . | * | trans | -76.5 | -22.3 | -143.7 | -159.5 | -117.5 | 0 | 0 | 0 | 118.6 | L344 Y416 A417 I420 | F340-L344 HydrophobicContact CD1-CD1 3.47Å; F340-L344 VanDerWaalsContact CD1-CD1 3.47Å; F340-L344 HydrophobicContact CD2-CD1 4.29Å; F340-L344 HydrophobicContact CE1-CD1 3.16Å; F340-L344 HydrophobicContact CE2-CD1 4.05Å; F340-L344 HydrophobicContact CG-CD1 4.05Å; F340-L344 HydrophobicContact CZ-CD1 3.49Å; F340-L344 VanDerWaalsContact CZ-CD1 3.49Å; F340-Y416 VanDerWaalsContact CA-CE2 3.45Å; F340-Y416 HydrophobicContact CB-CE2 4.24Å; F340-Y416 AromaticContact CD2-CD2 3.96Å; F340-Y416 HydrophobicContact CD2-CD2 3.96Å; F340-Y416 HydrophobicContact CD2-CE2 4.07Å; F340-A417 HydrophobicContact CE2-CB 4.28Å; F340-I420 HydrophobicContact CE1-CD1 3.93Å; F340-I420 HydrophobicContact CZ-CD1 3.99Å | ||
| 341 | H | 32.2 | Very low | 35.2 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 78% | 0.778 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -85.8 | -19.8 | -152 | -110.3 | 93.1 | 0 | 0 | 0 | 117.9 | R339 | R339-H341 PolarHBondContact O-N 3.41Å |
| 342 | A | 35 | Very low | 36.7 | Very low | 95 Ų | 95 | 118 Ų | 118 | 79% | 0.785 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -78.7 | -37.7 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 343 | F | 40.4 | Very low | 37.8 | Very low | 78 Ų | 78 | 116.6 Ų | 116.6 | 34% | 0.342 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -80.9 | -26.3 | -169.6 | -166.8 | -94.6 | 0 | 0 | 0 | 113.8 | L347 L410 H415 I421 | F343-L347 HydrophobicContact CD1-CD1 3.91Å; F343-L347 HydrophobicContact CE1-CD1 3.39Å; F343-L347 HydrophobicContact CZ-CD1 4.26Å; F343-L410 HydrophobicContact CE1-CD1 3.85Å; F343-L410 HydrophobicContact CE1-CD2 3.99Å; F343-L410 HydrophobicContact CZ-CD1 3.82Å; F343-L410 HydrophobicContact CZ-CD2 3.58Å; F343-L410 HydrophobicContact CZ-CG 4.37Å; F343-H415 AromaticContact CD1-CE1 3.2Å; F343-H415 WeakPolarHBondContact CD1-CE1 3.14Å; F343-H415 AromaticContact CD1-NE2 3.73Å; F343-H415 AromaticContact CE1-CE1 3.61Å; F343-H415 AromaticContact CG-CE1 3.6Å; F343-H415 AromaticContact CG-NE2 3.75Å; F343-I421 HydrophobicContact CE1-CD1 4.15Å |
| 344 | L | 38.2 | Very low | 39.6 | Very low | 26 Ų | 26 | 112.7 Ų | 112.7 | 14% | 0.136 | 55% | 0.547 | C | S | . | . | H | α-helix | trans | -77.5 | -26.7 | -170.8 | -85.3 | 160.7 | 0 | 0 | 0 | 114.8 | F340 F346 L347 H348 A417 I420 | F340-L344 HydrophobicContact CD1-CD1 3.47Å; F340-L344 VanDerWaalsContact CD1-CD1 3.47Å; F340-L344 HydrophobicContact CD2-CD1 4.29Å; F340-L344 HydrophobicContact CE1-CD1 3.16Å; F340-L344 HydrophobicContact CE2-CD1 4.05Å; F340-L344 HydrophobicContact CG-CD1 4.05Å; F340-L344 HydrophobicContact CZ-CD1 3.49Å; F340-L344 VanDerWaalsContact CZ-CD1 3.49Å; L344-F346 VanDerWaalsContact C-N 3.26Å; L344-F346 PolarHBondContact O-N 3.39Å; L344-L347 PolarHBondContact O-N 3.01Å; L344-H348 PolarHBondContact O-N 3.09Å; L344-A417 HydrophobicContact CD1-CB 3.94Å; L344-A417 HydrophobicContact CD2-CB 3.94Å; L344-A417 HydrophobicContact CG-CB 3.8Å; L344-I420 HydrophobicContact CD1-CD1 3.76Å; L344-I420 HydrophobicContact CD2-CB 3.66Å; L344-I420 HydrophobicContact CD2-CD1 3.85Å; L344-I420 HydrophobicContact CD2-CG1 4.37Å; L344-I420 HydrophobicContact CD2-CG2 3.65Å; L344-I420 HydrophobicContact CG-CD1 4.44Å |
| 345 | F | 41 | Very low | 41.7 | Very low | 175 Ų | 175 | 107.8 Ų | 107.8 | 77% | 0.768 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.5 | -35 | -179.9 | -155.5 | -91.4 | 0 | 0 | 0 | 111.9 | ||
| 346 | F | 41.9 | Very low | 43.6 | Very low | 163 Ų | 163 | 104.3 Ų | 104.3 | 72% | 0.715 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -71.9 | -36.9 | -177.3 | -138.7 | -88.7 | 0 | 0 | 0 | 113.1 | L344 I350 | L344-F346 VanDerWaalsContact C-N 3.26Å; L344-F346 PolarHBondContact O-N 3.39Å; F346-I350 HydrophobicContact CD1-CD1 4.29Å; F346-I350 HydrophobicContact CE1-CD1 4.46Å |
| 347 | L | 43.2 | Very low | 45.6 | Very low | 33 Ų | 33 | 102.5 Ų | 102.5 | 17% | 0.173 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -73.2 | -29.7 | -179.7 | -106.5 | 134.6 | 0 | 0 | 0 | 113.4 | F343 L344 T351 L410 I421 | F343-L347 HydrophobicContact CD1-CD1 3.91Å; F343-L347 HydrophobicContact CE1-CD1 3.39Å; F343-L347 HydrophobicContact CZ-CD1 4.26Å; L344-L347 PolarHBondContact O-N 3.01Å; L347-T351 WeakPolarHBondContact O-CG2 3.12Å; L347-T351 PolarHBondContact O-OG1 2.86Å; L347-L410 HydrophobicContact CD1-CD1 4.19Å; L347-I421 HydrophobicContact CD1-CD1 4.07Å; L347-I421 HydrophobicContact CD1-CG1 3.9Å; L347-I421 HydrophobicContact CD2-CG1 4.4Å |
| 348 | H | 45.2 | Very low | 47.7 | Very low | 122 Ų | 122 | 96.8 Ų | 96.8 | 57% | 0.565 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -69 | -35.6 | 179.7 | -165.2 | -104.5 | 0 | 0 | 0 | 112.3 | L344 T351 F352 | L344-H348 PolarHBondContact O-N 3.09Å; H348-T351 PolarHBondContact O-OG1 3.33Å; H348-F352 PolarHBondContact O-N 3.45Å |
| 349 | Q | 42.8 | Very low | 49.7 | Very low | 116 Ų | 116 | 94.6 Ų | 94.6 | 54% | 0.542 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.1 | -41.1 | -174.8 | -169 | 63.7 | 16.6 | 0 | 0 | 113.6 | ||
| 350 | I | 50 | Low | 51.7 | Low | 86 Ų | 86 | 89.4 Ų | 89.4 | 44% | 0.441 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -40.3 | -178.8 | -66 | 171.4 | 0 | 0 | 0 | 110.8 | F346 I403 | F346-I350 HydrophobicContact CD1-CD1 4.29Å; F346-I350 HydrophobicContact CE1-CD1 4.46Å; I350-I403 HydrophobicContact CG2-CD1 3.78Å; I350-I403 HydrophobicContact CG2-CG1 4.24Å |
| 351 | T | 52.5 | Low | 53.7 | Low | 6 Ų | 6 | 87.2 Ų | 87.2 | 4% | 0.037 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -77 | -33.7 | -172.5 | 50.5 | 0 | 0 | 0 | 0 | 112.3 | L347 H348 Q353 M354 F355 I403 V424 | L347-T351 WeakPolarHBondContact O-CG2 3.12Å; L347-T351 PolarHBondContact O-OG1 2.86Å; H348-T351 PolarHBondContact O-OG1 3.33Å; T351-Q353 VanDerWaalsContact C-N 3.31Å; T351-Q353 PolarHBondContact O-N 2.99Å; T351-M354 PolarHBondContact O-N 3.47Å; T351-F355 WeakPolarHBondContact O-CD2 3.24Å; T351-F355 PolarHBondContact O-N 2.92Å; T351-I403 HydrophobicContact CG2-CG2 4.27Å; T351-V424 HydrophobicContact CG2-CG1 3.51Å; T351-V424 VanDerWaalsContact OG1-CG1 3.28Å; T351-V424 WeakPolarHBondContact OG1-CG1 3.36Å |
| 352 | F | 56 | Low | 55.8 | Low | 119 Ų | 119 | 79.8 Ų | 79.8 | 52% | 0.522 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -52.5 | -44.9 | 172.4 | -177.1 | -98.4 | 0 | 0 | 0 | 113 | H348 M354 F355 V356 | H348-F352 PolarHBondContact O-N 3.45Å; F352-M354 PolarHBondContact O-N 3.27Å; F352-F355 PolarHBondContact O-N 3.33Å; F352-V356 HydrophobicContact CE1-CG2 4.3Å; F352-V356 PolarHBondContact O-N 3.32Å |
| 353 | Q | 50.3 | Low | 57.5 | Low | 118 Ų | 118 | 79.1 Ų | 79.1 | 55% | 0.551 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.5 | -36.7 | -179.3 | -70.6 | -70.5 | 9.9 | 0 | 0 | 113.1 | T351 F355 V356 W357 | T351-Q353 VanDerWaalsContact C-N 3.31Å; T351-Q353 PolarHBondContact O-N 2.99Å; Q353-F355 VanDerWaalsContact C-N 3.34Å; Q353-F355 PolarHBondContact O-N 2.96Å; Q353-V356 PolarHBondContact O-N 3Å; Q353-W357 PolarHBondContact O-N 3.2Å |
| 354 | M | 67 | Low | 59 | Low | 20 Ų | 20 | 79.4 Ų | 79.4 | 10% | 0.099 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -68.1 | -33.5 | 179.4 | -63.9 | -118.5 | 70 | 0 | 0 | 112.2 | T351 F352 W357 I358 T396 N399 I400 I403 L428 | T351-M354 PolarHBondContact O-N 3.47Å; F352-M354 PolarHBondContact O-N 3.27Å; M354-W357 PolarHBondContact O-N 3.27Å; M354-I358 WeakPolarHBondContact O-CG1 3.45Å; M354-I358 PolarHBondContact O-N 2.87Å; M354-I358 VanDerWaalsContact O-N 3.09Å; M354-T396 HydrophobicContact CE-CG2 3.95Å; M354-N399 HydrophobicContact CE-CB 4.35Å; M354-N399 HydrophobicContact SD-CB 4.4Å; M354-I400 HydrophobicContact CE-CD1 4.38Å; M354-I400 HydrophobicContact CE-CG1 3.8Å; M354-I400 HydrophobicContact SD-CG1 3.71Å; M354-I403 HydrophobicContact CG-CD1 3.93Å; M354-I403 HydrophobicContact SD-CD1 3.54Å; M354-I403 VanDerWaalsContact SD-CD1 3.54Å; M354-L428 HydrophobicContact CB-CD1 3.67Å; M354-L428 HydrophobicContact CB-CD2 4.39Å |
| 355 | F | 69.2 | Low | 61 | Low | 51 Ų | 51 | 78.2 Ų | 78.2 | 22% | 0.224 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -65.6 | -36.3 | 174.5 | -68.4 | -61.8 | 0 | 0 | 0 | 113.1 | T351 F352 Q353 R359 V424 R427 L428 | T351-F355 WeakPolarHBondContact O-CD2 3.24Å; T351-F355 PolarHBondContact O-N 2.92Å; F352-F355 PolarHBondContact O-N 3.33Å; Q353-F355 VanDerWaalsContact C-N 3.34Å; Q353-F355 PolarHBondContact O-N 2.96Å; F355-R359 PolarHBondContact O-N 3.44Å; F355-V424 HydrophobicContact CE2-CG1 4.47Å; F355-R427 HydrophobicContact CE1-CB 4.2Å; F355-R427 HydrophobicContact CE1-CG 3.48Å; F355-R427 VanDerWaalsContact CE1-CG 3.48Å; F355-R427 HydrophobicContact CE2-CG 4.36Å; F355-R427 HydrophobicContact CZ-CB 3.82Å; F355-R427 HydrophobicContact CZ-CG 3.39Å; F355-L428 HydrophobicContact CD1-CD1 4.46Å; F355-L428 HydrophobicContact CE1-CB 4.02Å; F355-L428 HydrophobicContact CE1-CD1 4.17Å; F355-L428 HydrophobicContact CZ-CB 3.84Å; F355-L428 HydrophobicContact CZ-CD1 4.47Å |
| 356 | V | 66 | Low | 62.4 | Low | 71 Ų | 71 | 73.1 Ų | 73.1 | 43% | 0.43 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -64.4 | -46 | 175.3 | 178.1 | 0 | 0 | 0 | 0 | 110.4 | F352 Q353 R359 Q360 | F352-V356 HydrophobicContact CE1-CG2 4.3Å; F352-V356 PolarHBondContact O-N 3.32Å; Q353-V356 PolarHBondContact O-N 3Å; V356-R359 PolarHBondContact O-N 2.96Å; V356-Q360 PolarHBondContact O-N 2.89Å |
| 357 | W | 70.5 | Confident | 63.8 | Low | 57 Ų | 57 | 71.2 Ų | 71.2 | 22% | 0.216 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -64.1 | -45.3 | -178.5 | -177 | 86.4 | 0 | 0 | 0 | 113.3 | Q353 M354 R359 Q360 H361 T396 W432 | Q353-W357 PolarHBondContact O-N 3.2Å; M354-W357 PolarHBondContact O-N 3.27Å; W357-R359 VanDerWaalsContact C-N 3.25Å; W357-R359 PolarHBondContact O-N 2.86Å; W357-Q360 PolarHBondContact O-N 3.39Å; W357-H361 AromaticContact CD2-CD2 3.94Å; W357-H361 AromaticContact CE2-CD2 3.23Å; W357-H361 AromaticContact CE2-NE2 3.41Å; W357-H361 HydrophobicContact CH2-CB 4.36Å; W357-H361 AromaticContact CH2-CD2 3.88Å; W357-H361 AromaticContact CH2-CG 3.86Å; W357-H361 AromaticContact CZ2-CD2 3.2Å; W357-H361 WeakPolarHBondContact CZ2-CD2 3.47Å; W357-H361 AromaticContact CZ2-CE1 3.64Å; W357-H361 AromaticContact CZ2-CG 3.62Å; W357-H361 AromaticContact CZ2-ND1 3.87Å; W357-H361 AromaticContact CZ2-NE2 3.23Å; W357-H361 WeakPolarHBondContact CZ2-NE2 3.37Å; W357-H361 AromaticContact NE1-CD2 3.44Å; W357-H361 PolarHBondContact NE1-CD2 3.48Å; W357-H361 AromaticContact NE1-NE2 3.36Å; W357-H361 PolarHBondContact NE1-NE2 3.41Å; W357-H361 PolarHBondContact O-N 3.4Å; W357-T396 HydrophobicContact CD2-CG2 3.92Å; W357-T396 HydrophobicContact CE3-CG2 3.85Å; W357-T396 VanDerWaalsContact CH2-CB 3.45Å; W357-T396 HydrophobicContact CH2-CG2 3.86Å; W357-T396 WeakPolarHBondContact CH2-OG1 3.41Å; W357-T396 HydrophobicContact CZ2-CG2 3.88Å; W357-T396 WeakPolarHBondContact CZ2-OG1 3.37Å; W357-T396 HydrophobicContact CZ3-CG2 3.83Å; W357-W432 HydrophobicContact CH2-CZ3 4.35Å; W357-W432 AromaticContact CZ3-CZ3 3.9Å; W357-W432 HydrophobicContact CZ3-CZ3 3.9Å |
| 358 | I | 73.5 | Confident | 65 | Low | 9 Ų | 9 | 71.9 Ų | 71.9 | 5% | 0.046 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -57.5 | -43 | 178 | -68.8 | 170.3 | 0 | 0 | 0 | 110.2 | M354 H361 V362 I400 L428 W432 | M354-I358 WeakPolarHBondContact O-CG1 3.45Å; M354-I358 PolarHBondContact O-N 2.87Å; M354-I358 VanDerWaalsContact O-N 3.09Å; I358-H361 PolarHBondContact O-N 3.02Å; I358-V362 WeakPolarHBondContact O-CG2 3.38Å; I358-V362 PolarHBondContact O-N 3.07Å; I358-I400 HydrophobicContact CD1-CD1 4.33Å; I358-L428 HydrophobicContact CD1-CD1 3.7Å; I358-W432 HydrophobicContact CD1-CB 4.18Å |
| 359 | R | 71 | Confident | 66.3 | Low | 170 Ų | 170 | 67.1 Ų | 67.1 | 64% | 0.642 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -65.6 | -42.3 | -177.7 | -153 | 162.4 | 73.9 | 86.6 | -3.2 | 112.1 | F355 V356 W357 H361 V362 D363 | F355-R359 PolarHBondContact O-N 3.44Å; V356-R359 PolarHBondContact O-N 2.96Å; W357-R359 VanDerWaalsContact C-N 3.25Å; W357-R359 PolarHBondContact O-N 2.86Å; R359-H361 VanDerWaalsContact C-N 3.3Å; R359-H361 PolarHBondContact O-N 3.2Å; R359-V362 PolarHBondContact O-N 3.27Å; R359-D363 VanDerWaalsContact O-CG 3.23Å; R359-D363 PolarHBondContact O-N 3.05Å |
| 360 | Q | 68.9 | Low | 67.5 | Low | 115 Ų | 115 | 63.5 Ų | 63.5 | 54% | 0.537 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -60.7 | -36.6 | 175.6 | -172.8 | 175.7 | 6.8 | 0 | 0 | 112.8 | V356 W357 I364 | V356-Q360 PolarHBondContact O-N 2.89Å; W357-Q360 PolarHBondContact O-N 3.39Å; Q360-I364 HydrophobicContact CG-CD1 4.42Å; Q360-I364 WeakPolarHBondContact O-CG1 3.42Å; Q360-I364 PolarHBondContact O-N 3.41Å |
| 361 | H | 72.5 | Confident | 68.8 | Low | 33 Ų | 33 | 63.4 Ų | 63.4 | 15% | 0.153 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -75.8 | -30.9 | 176.3 | -88 | -97.9 | 0 | 0 | 0 | 113.6 | W357 I358 R359 F365 F435 | W357-H361 AromaticContact CD2-CD2 3.94Å; W357-H361 AromaticContact CE2-CD2 3.23Å; W357-H361 AromaticContact CE2-NE2 3.41Å; W357-H361 HydrophobicContact CH2-CB 4.36Å; W357-H361 AromaticContact CH2-CD2 3.88Å; W357-H361 AromaticContact CH2-CG 3.86Å; W357-H361 AromaticContact CZ2-CD2 3.2Å; W357-H361 WeakPolarHBondContact CZ2-CD2 3.47Å; W357-H361 AromaticContact CZ2-CE1 3.64Å; W357-H361 AromaticContact CZ2-CG 3.62Å; W357-H361 AromaticContact CZ2-ND1 3.87Å; W357-H361 AromaticContact CZ2-NE2 3.23Å; W357-H361 WeakPolarHBondContact CZ2-NE2 3.37Å; W357-H361 AromaticContact NE1-CD2 3.44Å; W357-H361 PolarHBondContact NE1-CD2 3.48Å; W357-H361 AromaticContact NE1-NE2 3.36Å; W357-H361 PolarHBondContact NE1-NE2 3.41Å; W357-H361 PolarHBondContact O-N 3.4Å; I358-H361 PolarHBondContact O-N 3.02Å; R359-H361 VanDerWaalsContact C-N 3.3Å; R359-H361 PolarHBondContact O-N 3.2Å; H361-F365 VanDerWaalsContact O-CB 3.29Å; H361-F365 WeakPolarHBondContact O-CB 3.44Å; H361-F365 PolarHBondContact O-N 3.19Å; H361-F435 HydrophobicContact CB-CE1 4.03Å; H361-F435 HydrophobicContact CB-CZ 3.81Å |
| 362 | V | 77.5 | Confident | 70.1 | Confident | 13 Ų | 13 | 63.5 Ų | 63.5 | 8% | 0.079 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -63.2 | -45.5 | 168.7 | 170.4 | 0 | 0 | 0 | 0 | 110.7 | I358 R359 I364 F365 L366 F435 L521 | I358-V362 WeakPolarHBondContact O-CG2 3.38Å; I358-V362 PolarHBondContact O-N 3.07Å; R359-V362 PolarHBondContact O-N 3.27Å; V362-I364 VanDerWaalsContact C-N 3.34Å; V362-I364 PolarHBondContact O-N 3.4Å; V362-F365 PolarHBondContact O-N 3.03Å; V362-L366 HydrophobicContact CG1-CD1 3.86Å; V362-L366 HydrophobicContact CG1-CG 4.4Å; V362-L366 WeakPolarHBondContact O-CG 3.43Å; V362-L366 PolarHBondContact O-N 3.14Å; V362-F435 HydrophobicContact CG2-CB 4.34Å; V362-F435 HydrophobicContact CG2-CD2 3.61Å; V362-F435 HydrophobicContact CG2-CE2 4.2Å; V362-F435 HydrophobicContact CG2-CG 4.15Å; V362-L521 HydrophobicContact CG1-CB 4.16Å; V362-L521 HydrophobicContact CG1-CD1 4.49Å; V362-L521 HydrophobicContact CG1-CD2 4.26Å; V362-L521 HydrophobicContact CG2-CD2 4.3Å |
| 363 | D | 70.6 | Confident | 71.2 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 43% | 0.428 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -41.3 | -179.9 | -64.3 | -30.6 | 0 | 0 | 0 | 111.7 | R359 | R359-D363 VanDerWaalsContact O-CG 3.23Å; R359-D363 PolarHBondContact O-N 3.05Å |
| 364 | I | 70.9 | Confident | 72.5 | Confident | 84 Ų | 84 | 58.5 Ų | 58.5 | 43% | 0.431 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.9 | -41.5 | 176 | -63.3 | 163.1 | 0 | 0 | 0 | 111.7 | Q360 V362 L366 V367 F389 | Q360-I364 HydrophobicContact CG-CD1 4.42Å; Q360-I364 WeakPolarHBondContact O-CG1 3.42Å; Q360-I364 PolarHBondContact O-N 3.41Å; V362-I364 VanDerWaalsContact C-N 3.34Å; V362-I364 PolarHBondContact O-N 3.4Å; I364-L366 VanDerWaalsContact C-N 3.32Å; I364-L366 PolarHBondContact O-N 3.25Å; I364-V367 PolarHBondContact O-N 3.39Å; I364-F389 HydrophobicContact CB-CE2 4.26Å; I364-F389 HydrophobicContact CG2-CD2 4.42Å; I364-F389 HydrophobicContact CG2-CE2 3.65Å; I364-F389 HydrophobicContact CG2-CZ 4.33Å |
| 365 | F | 79.9 | Confident | 73 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.9 | -37.9 | -178.5 | 178.8 | -120.7 | 0 | 0 | 0 | 112.8 | H361 V362 V367 Y369 H386 F389 F435 A438 L439 R442 L521 | H361-F365 VanDerWaalsContact O-CB 3.29Å; H361-F365 WeakPolarHBondContact O-CB 3.44Å; H361-F365 PolarHBondContact O-N 3.19Å; V362-F365 PolarHBondContact O-N 3.03Å; F365-V367 VanDerWaalsContact C-N 3.28Å; F365-V367 PolarHBondContact O-N 2.82Å; F365-Y369 HydrophobicContact CD1-CD2 4.16Å; F365-Y369 AromaticContact CE1-CD2 3.39Å; F365-Y369 HydrophobicContact CE1-CD2 3.39Å; F365-Y369 AromaticContact CE1-CE2 3.58Å; F365-Y369 HydrophobicContact CE1-CE2 3.58Å; F365-Y369 HydrophobicContact CE2-CD2 4.12Å; F365-Y369 AromaticContact CZ-CD2 3.38Å; F365-Y369 HydrophobicContact CZ-CD2 3.38Å; F365-Y369 AromaticContact CZ-CE2 3.49Å; F365-Y369 HydrophobicContact CZ-CE2 3.49Å; F365-Y369 VanDerWaalsContact CZ-CE2 3.49Å; F365-Y369 PolarHBondContact O-N 3.35Å; F365-H386 AromaticContact CE2-CE1 3.9Å; F365-H386 AromaticContact CE2-ND1 3.98Å; F365-F389 HydrophobicContact CB-CE1 3.72Å; F365-F389 HydrophobicContact CB-CZ 3.79Å; F365-F389 AromaticContact CD2-CD1 3.93Å; F365-F389 HydrophobicContact CD2-CD1 3.93Å; F365-F389 AromaticContact CD2-CE1 3.49Å; F365-F389 HydrophobicContact CD2-CE1 3.49Å; F365-F389 VanDerWaalsContact CD2-CE1 3.49Å; F365-F389 HydrophobicContact CD2-CZ 4.38Å; F365-F389 HydrophobicContact CE2-CE1 4.46Å; F365-F389 AromaticContact CG-CE1 3.96Å; F365-F389 HydrophobicContact CG-CE1 3.96Å; F365-F435 HydrophobicContact CB-CE2 3.96Å; F365-F435 HydrophobicContact CD1-CE2 4.2Å; F365-F435 HydrophobicContact CG-CE2 4.13Å; F365-A438 HydrophobicContact CE1-CB 3.69Å; F365-A438 HydrophobicContact CZ-CB 4.41Å; F365-A438 WeakPolarHBondContact CZ-O 3.44Å; F365-L439 HydrophobicContact CD2-CD2 3.96Å; F365-L439 HydrophobicContact CE2-CD2 3.73Å; F365-L439 HydrophobicContact CZ-CD2 4.26Å; F365-R442 HydrophobicContact CE2-CB 4.32Å; F365-R442 HydrophobicContact CZ-CB 4.03Å; F365-L521 HydrophobicContact CD1-CD1 3.83Å; F365-L521 HydrophobicContact CE1-CD1 3.95Å |
| 366 | L | 71.3 | Confident | 73.5 | Confident | 68 Ų | 68 | 60.9 Ų | 60.9 | 36% | 0.356 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.4 | -27.1 | 179.8 | -74.2 | 167.9 | 0 | 0 | 0 | 113.5 | V362 I364 S368 L521 V522 | V362-L366 HydrophobicContact CG1-CD1 3.86Å; V362-L366 HydrophobicContact CG1-CG 4.4Å; V362-L366 WeakPolarHBondContact O-CG 3.43Å; V362-L366 PolarHBondContact O-N 3.14Å; I364-L366 VanDerWaalsContact C-N 3.32Å; I364-L366 PolarHBondContact O-N 3.25Å; L366-S368 VanDerWaalsContact C-N 3.31Å; L366-S368 PolarHBondContact O-N 2.87Å; L366-L521 HydrophobicContact CD2-CB 4.35Å; L366-L521 HydrophobicContact CD2-CD1 3.89Å; L366-L521 HydrophobicContact CG-CD1 4.37Å; L366-V522 HydrophobicContact CD1-CG2 3.99Å |
| 367 | V | 70.1 | Confident | 74.1 | Confident | 124 Ų | 124 | 65.4 Ų | 65.4 | 75% | 0.752 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -64 | -33 | -177.7 | 173.6 | 0 | 0 | 0 | 0 | 112.9 | I364 F365 | I364-V367 PolarHBondContact O-N 3.39Å; F365-V367 VanDerWaalsContact C-N 3.28Å; F365-V367 PolarHBondContact O-N 2.82Å |
| 368 | S | 69.2 | Low | 74.5 | Confident | 46 Ų | 46 | 63.8 Ų | 63.8 | 32% | 0.322 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -108.8 | -4.9 | -178.1 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | L366 S370 D371 R442 | L366-S368 VanDerWaalsContact C-N 3.31Å; L366-S368 PolarHBondContact O-N 2.87Å; S368-S370 VanDerWaalsContact C-N 3.27Å; S368-S370 PolarHBondContact O-N 3.08Å; S368-S370 VanDerWaalsContact O-N 3.11Å; S368-D371 PolarHBondContact O-N 2.96Å; S368-D371 VanDerWaalsContact O-N 3.1Å; S368-R442 PolarHBondContact O-NH1 3.26Å; S368-R442 PolarHBondContact O-NH2 2.69Å; S368-R442 PolarHBondContact OG-NH1 2.95Å |
| 369 | Y | 71.8 | Confident | 75.1 | Confident | 22 Ų | 22 | 63.4 Ų | 63.4 | 9% | 0.086 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -38.9 | -166.9 | -168.6 | -76.6 | 0 | 0 | 0 | 114.3 | F365 D371 R442 P519 Y557 | F365-Y369 HydrophobicContact CD1-CD2 4.16Å; F365-Y369 AromaticContact CE1-CD2 3.39Å; F365-Y369 HydrophobicContact CE1-CD2 3.39Å; F365-Y369 AromaticContact CE1-CE2 3.58Å; F365-Y369 HydrophobicContact CE1-CE2 3.58Å; F365-Y369 HydrophobicContact CE2-CD2 4.12Å; F365-Y369 AromaticContact CZ-CD2 3.38Å; F365-Y369 HydrophobicContact CZ-CD2 3.38Å; F365-Y369 AromaticContact CZ-CE2 3.49Å; F365-Y369 HydrophobicContact CZ-CE2 3.49Å; F365-Y369 VanDerWaalsContact CZ-CE2 3.49Å; F365-Y369 PolarHBondContact O-N 3.35Å; Y369-D371 VanDerWaalsContact C-N 3.28Å; Y369-D371 PolarHBondContact O-N 2.98Å; Y369-R442 HydrophobicContact CD2-CB 4.39Å; Y369-R442 HydrophobicContact CE2-CB 3.87Å; Y369-R442 HydrophobicContact CE2-CG 4.49Å; Y369-R442 PolarHBondContact O-NE 3.17Å; Y369-P519 HydrophobicContact CE1-CG 4.45Å; Y369-P519 HydrophobicContact CE2-CG 3.92Å; Y369-P519 WeakPolarHBondContact OH-CD 3.28Å; Y369-Y557 AromaticContact CD1-CE1 3.88Å; Y369-Y557 HydrophobicContact CD1-CE1 3.88Å; Y369-Y557 AromaticContact CD1-CZ 3.63Å; Y369-Y557 WeakPolarHBondContact CD1-OH 3.47Å; Y369-Y557 AromaticContact CE1-CE1 3.83Å; Y369-Y557 HydrophobicContact CE1-CE1 3.83Å; Y369-Y557 AromaticContact CE1-CZ 3.9Å; Y369-Y557 WeakPolarHBondContact CE1-OH 3.05Å |
| 370 | S | 69.4 | Low | 75.5 | Confident | 41 Ų | 41 | 57.8 Ų | 57.8 | 29% | 0.287 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.1 | -17.2 | -176.3 | 38.7 | 0 | 0 | 0 | 0 | 114.6 | S368 | S368-S370 VanDerWaalsContact C-N 3.27Å; S368-S370 PolarHBondContact O-N 3.08Å; S368-S370 VanDerWaalsContact O-N 3.11Å |
| 371 | D | 77.1 | Confident | 76 | Confident | 84 Ų | 84 | 54.8 Ų | 54.8 | 45% | 0.449 | 31% | 0.309 | S | S | . | . | trans | -81.5 | 128.4 | -179.7 | -169.3 | 5.1 | 0 | 0 | 0 | 112.2 | S368 Y369 G373 R442 | S368-D371 PolarHBondContact O-N 2.96Å; S368-D371 VanDerWaalsContact O-N 3.1Å; Y369-D371 VanDerWaalsContact C-N 3.28Å; Y369-D371 PolarHBondContact O-N 2.98Å; D371-G373 PolarHBondContact OD1-N 3.17Å; D371-R442 PolarHBondContact O-NH2 3.4Å | ||
| 372 | I | 79.2 | Confident | 76.5 | Confident | 8 Ų | 8 | 53.4 Ų | 53.4 | 4% | 0.041 | 30% | 0.304 | C | S | . | . | trans | -128.2 | -3.4 | 177.9 | 62.5 | 166.2 | 0 | 0 | 0 | 114.1 | A379 V445 L446 S449 L515 | I372-A379 WeakPolarHBondContact O-CA 3.49Å; I372-A379 WeakPolarHBondContact O-CB 3.14Å; I372-V445 HydrophobicContact CG2-CG1 3.7Å; I372-L446 HydrophobicContact CB-CD2 4.47Å; I372-L446 HydrophobicContact CG2-CD2 4.5Å; I372-S449 PolarHBondContact O-OG 3.37Å; I372-L515 HydrophobicContact CD1-CD1 3.76Å; I372-L515 HydrophobicContact CD1-CD2 4.09Å; I372-L515 HydrophobicContact CG2-CD2 4.02Å | ||
| 373 | G | 78.9 | Confident | 76.9 | Confident | 6 Ų | 6 | 54.8 Ų | 54.8 | 6% | 0.062 | 31% | 0.309 | C | S | . | . | trans | 72.8 | 137 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | D371 S375 Y453 | D371-G373 PolarHBondContact OD1-N 3.17Å; G373-S375 VanDerWaalsContact C-N 3.33Å; G373-Y453 WeakPolarHBondContact O-CE2 3.33Å; G373-Y453 PolarHBondContact O-OH 2.73Å | ||
| 374 | E | 77.3 | Confident | 77.4 | Confident | 125 Ų | 125 | 56.8 Ų | 56.8 | 58% | 0.584 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -88.8 | 5 | 176.5 | -59.1 | -177.7 | 165.1 | 0 | 0 | 113.3 | H559 H563 | E374-H559 IonicContact OE1-CD2 3.89Å; E374-H563 PolarHBondContact O-CD2 3.4Å; E374-H563 PolarHBondContact O-NE2 3.35Å |
| 375 | S | 77.8 | Confident | 77.9 | Confident | 51 Ų | 51 | 59 Ų | 59 | 36% | 0.357 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -155.5 | 170.3 | -178.2 | 76.1 | 0 | 0 | 0 | 0 | 111.4 | G373 E377 G378 A379 | G373-S375 VanDerWaalsContact C-N 3.33Å; S375-E377 PolarHBondContact O-N 3.22Å; S375-E377 PolarHBondContact OG-N 3.12Å; S375-G378 PolarHBondContact O-N 2.87Å; S375-G378 PolarHBondContact OG-N 3.16Å; S375-A379 VanDerWaalsContact O-CB 3.31Å; S375-A379 WeakPolarHBondContact O-CB 3.46Å; S375-A379 PolarHBondContact O-N 3.07Å |
| 376 | Q | 79.8 | Confident | 78.1 | Confident | 70 Ų | 70 | 59.1 Ų | 59.1 | 33% | 0.327 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -56.7 | -37.5 | 173.9 | -175.8 | 178.2 | -13.3 | 0 | 0 | 112.2 | T380 L450 N457 | Q376-T380 PolarHBondContact O-N 2.78Å; Q376-T380 PolarHBondContact O-OG1 3.5Å; Q376-L450 HydrophobicContact CG-CD1 4.37Å; Q376-N457 PolarHBondContact OE1-ND2 3.45Å |
| 377 | E | 78.5 | Confident | 78.5 | Confident | 166 Ų | 166 | 59.5 Ų | 59.5 | 78% | 0.776 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -72.9 | -44.4 | 177.1 | -62.6 | -176.4 | 164.3 | 0 | 0 | 111.3 | S375 T380 A381 | S375-E377 PolarHBondContact O-N 3.22Å; S375-E377 PolarHBondContact OG-N 3.12Å; E377-T380 WeakPolarHBondContact O-CB 3.42Å; E377-T380 PolarHBondContact O-N 3.49Å; E377-A381 PolarHBondContact O-N 3.32Å; E377-A381 VanDerWaalsContact O-N 3.1Å |
| 378 | G | 79.4 | Confident | 78.8 | Confident | 24 Ų | 24 | 59.9 Ų | 59.9 | 25% | 0.247 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | S375 T380 A381 A382 | S375-G378 PolarHBondContact O-N 2.87Å; S375-G378 PolarHBondContact OG-N 3.16Å; G378-T380 VanDerWaalsContact C-N 3.28Å; G378-T380 PolarHBondContact O-N 3.07Å; G378-A381 PolarHBondContact O-N 3.33Å; G378-A381 VanDerWaalsContact O-N 3.15Å; G378-A382 PolarHBondContact O-N 2.84Å |
| 379 | A | 85.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.3 | -34.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I372 S375 Q383 S449 L450 Y453 | I372-A379 WeakPolarHBondContact O-CA 3.49Å; I372-A379 WeakPolarHBondContact O-CB 3.14Å; S375-A379 VanDerWaalsContact O-CB 3.31Å; S375-A379 WeakPolarHBondContact O-CB 3.46Å; S375-A379 PolarHBondContact O-N 3.07Å; A379-Q383 WeakPolarHBondContact O-CB 3.35Å; A379-Q383 PolarHBondContact O-N 3.09Å; A379-Q383 VanDerWaalsContact O-N 3.07Å; A379-S449 WeakPolarHBondContact CB-OG 3.32Å; A379-L450 HydrophobicContact CB-CB 4.45Å; A379-L450 HydrophobicContact CB-CD1 4.46Å; A379-Y453 HydrophobicContact CB-CD2 4.27Å |
| 380 | T | 80.4 | Confident | 79.8 | Confident | 52 Ų | 52 | 59.8 Ų | 59.8 | 32% | 0.319 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.1 | -43.5 | 172.8 | -57.7 | 0 | 0 | 0 | 0 | 111.3 | Q376 E377 G378 Q384 L450 | Q376-T380 PolarHBondContact O-N 2.78Å; Q376-T380 PolarHBondContact O-OG1 3.5Å; E377-T380 WeakPolarHBondContact O-CB 3.42Å; E377-T380 PolarHBondContact O-N 3.49Å; G378-T380 VanDerWaalsContact C-N 3.28Å; G378-T380 PolarHBondContact O-N 3.07Å; T380-Q384 WeakPolarHBondContact O-CG 3.42Å; T380-Q384 PolarHBondContact O-N 2.88Å; T380-L450 WeakPolarHBondContact OG1-CD1 3.1Å |
| 381 | A | 79.5 | Confident | 79.9 | Confident | 53 Ų | 53 | 65.1 Ų | 65.1 | 44% | 0.438 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -65.7 | -50 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | E377 G378 Q383 Q384 E385 | E377-A381 PolarHBondContact O-N 3.32Å; E377-A381 VanDerWaalsContact O-N 3.1Å; G378-A381 PolarHBondContact O-N 3.33Å; G378-A381 VanDerWaalsContact O-N 3.15Å; A381-Q383 VanDerWaalsContact C-N 3.29Å; A381-Q383 PolarHBondContact O-N 3.2Å; A381-Q384 PolarHBondContact O-N 3.26Å; A381-E385 PolarHBondContact O-N 3.23Å; A381-E385 VanDerWaalsContact O-N 3.16Å |
| 382 | A | 83.2 | Confident | 79.6 | Confident | 4 Ų | 4 | 63.9 Ų | 63.9 | 3% | 0.033 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.9 | -36.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | G378 H386 L446 | G378-A382 PolarHBondContact O-N 2.84Å; A382-H386 PolarHBondContact O-N 3.15Å; A382-L446 HydrophobicContact CB-CD2 3.63Å |
| 383 | Q | 85.2 | Confident | 79.3 | Confident | 42 Ų | 42 | 63.5 Ų | 63.5 | 20% | 0.196 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -45.1 | 172.7 | -173.5 | 179.5 | -29.8 | 0 | 0 | 112.1 | A379 A381 E385 H386 E387 L446 | A379-Q383 WeakPolarHBondContact O-CB 3.35Å; A379-Q383 PolarHBondContact O-N 3.09Å; A379-Q383 VanDerWaalsContact O-N 3.07Å; A381-Q383 VanDerWaalsContact C-N 3.29Å; A381-Q383 PolarHBondContact O-N 3.2Å; Q383-E385 PolarHBondContact O-N 3.08Å; Q383-H386 PolarHBondContact O-N 3.05Å; Q383-E387 HydrophobicContact CG-CG 4.46Å; Q383-E387 PolarHBondContact NE2-OE1 3.2Å; Q383-E387 WeakPolarHBondContact O-CG 3.48Å; Q383-E387 PolarHBondContact O-N 3.42Å; Q383-L446 HydrophobicContact CB-CB 4.27Å; Q383-L446 HydrophobicContact CG-CB 4.49Å |
| 384 | Q | 81.2 | Confident | 79.1 | Confident | 121 Ų | 121 | 66.1 Ų | 66.1 | 57% | 0.565 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.6 | -39.3 | -176.6 | -71.2 | 177.7 | 26.2 | 0 | 0 | 112.8 | T380 A381 Q388 | T380-Q384 WeakPolarHBondContact O-CG 3.42Å; T380-Q384 PolarHBondContact O-N 2.88Å; A381-Q384 PolarHBondContact O-N 3.26Å; Q384-Q388 PolarHBondContact O-N 3.35Å; Q384-Q388 VanDerWaalsContact O-N 3.15Å |
| 385 | E | 80.1 | Confident | 78.6 | Confident | 131 Ų | 131 | 66.3 Ų | 66.3 | 61% | 0.612 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | 174.9 | -66.4 | -161.8 | 158.9 | 0 | 0 | 112 | A381 Q383 E387 Q388 F389 | A381-E385 PolarHBondContact O-N 3.23Å; A381-E385 VanDerWaalsContact O-N 3.16Å; Q383-E385 PolarHBondContact O-N 3.08Å; E385-E387 PolarHBondContact O-N 3.22Å; E385-Q388 WeakPolarHBondContact O-CB 3.33Å; E385-Q388 PolarHBondContact O-N 3.28Å; E385-F389 PolarHBondContact O-N 2.76Å |
| 386 | H | 86 | Confident | 77.9 | Confident | 3 Ų | 3 | 64.9 Ų | 64.9 | 1% | 0.014 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.4 | -38.1 | 179.2 | 175.5 | 65.5 | 0 | 0 | 0 | 112.5 | F365 A382 Q383 Q388 F389 T390 L439 T443 L446 | F365-H386 AromaticContact CE2-CE1 3.9Å; F365-H386 AromaticContact CE2-ND1 3.98Å; A382-H386 PolarHBondContact O-N 3.15Å; Q383-H386 PolarHBondContact O-N 3.05Å; H386-Q388 VanDerWaalsContact C-N 3.26Å; H386-Q388 PolarHBondContact O-N 3.2Å; H386-F389 PolarHBondContact O-N 3.05Å; H386-T390 PolarHBondContact CE1-OG1 3.04Å; H386-T390 VanDerWaalsContact CE1-OG1 3.3Å; H386-T390 PolarHBondContact NE2-OG1 3.31Å; H386-T390 WeakPolarHBondContact O-CB 3.48Å; H386-T390 PolarHBondContact O-N 3.34Å; H386-T390 PolarHBondContact O-OG1 3.37Å; H386-L439 PolarHBondContact CE1-O 2.96Å; H386-L439 PolarHBondContact NE2-O 3.02Å; H386-T443 PolarHBondContact NE2-N 2.93Å; H386-T443 PolarHBondContact NE2-OG1 3.25Å; H386-L446 HydrophobicContact CB-CD1 3.44Å; H386-L446 VanDerWaalsContact CB-CD1 3.44Å |
| 387 | E | 79.2 | Confident | 77.4 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 36% | 0.355 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.7 | -33.1 | 172 | -77.5 | -178.6 | -161.5 | 0 | 0 | 112.3 | Q383 E385 R391 | Q383-E387 HydrophobicContact CG-CG 4.46Å; Q383-E387 PolarHBondContact NE2-OE1 3.2Å; Q383-E387 WeakPolarHBondContact O-CG 3.48Å; Q383-E387 PolarHBondContact O-N 3.42Å; E385-E387 PolarHBondContact O-N 3.22Å; E387-R391 WeakPolarHBondContact O-CG 3.45Å; E387-R391 PolarHBondContact O-N 3.09Å; E387-R391 PolarHBondContact O-NE 3.07Å |
| 388 | Q | 76.6 | Confident | 76.7 | Confident | 133 Ų | 133 | 63.3 Ų | 63.3 | 62% | 0.621 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -74.1 | -41.9 | 177.6 | -158.7 | 172 | 26.5 | 0 | 0 | 111.4 | Q384 E385 H386 R391 A392 | Q384-Q388 PolarHBondContact O-N 3.35Å; Q384-Q388 VanDerWaalsContact O-N 3.15Å; E385-Q388 WeakPolarHBondContact O-CB 3.33Å; E385-Q388 PolarHBondContact O-N 3.28Å; H386-Q388 VanDerWaalsContact C-N 3.26Å; H386-Q388 PolarHBondContact O-N 3.2Å; Q388-R391 PolarHBondContact O-N 3.35Å; Q388-A392 PolarHBondContact O-N 2.85Å |
| 389 | F | 80.2 | Confident | 75.8 | Confident | 43 Ų | 43 | 66.5 Ų | 66.5 | 19% | 0.189 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.6 | -46.3 | 172.4 | -178.8 | -102 | 0 | 0 | 0 | 112.3 | I364 F365 E385 H386 R391 A392 A393 F435 L439 | I364-F389 HydrophobicContact CB-CE2 4.26Å; I364-F389 HydrophobicContact CG2-CD2 4.42Å; I364-F389 HydrophobicContact CG2-CE2 3.65Å; I364-F389 HydrophobicContact CG2-CZ 4.33Å; F365-F389 HydrophobicContact CB-CE1 3.72Å; F365-F389 HydrophobicContact CB-CZ 3.79Å; F365-F389 AromaticContact CD2-CD1 3.93Å; F365-F389 HydrophobicContact CD2-CD1 3.93Å; F365-F389 AromaticContact CD2-CE1 3.49Å; F365-F389 HydrophobicContact CD2-CE1 3.49Å; F365-F389 VanDerWaalsContact CD2-CE1 3.49Å; F365-F389 HydrophobicContact CD2-CZ 4.38Å; F365-F389 HydrophobicContact CE2-CE1 4.46Å; F365-F389 AromaticContact CG-CE1 3.96Å; F365-F389 HydrophobicContact CG-CE1 3.96Å; E385-F389 PolarHBondContact O-N 2.76Å; H386-F389 PolarHBondContact O-N 3.05Å; F389-R391 VanDerWaalsContact C-N 3.33Å; F389-R391 PolarHBondContact O-N 3.15Å; F389-A392 WeakPolarHBondContact O-CB 3.29Å; F389-A392 PolarHBondContact O-N 3.42Å; F389-A393 PolarHBondContact O-N 2.88Å; F389-F435 HydrophobicContact CE1-CZ 4.17Å; F389-F435 HydrophobicContact CZ-CZ 4.32Å; F389-L439 HydrophobicContact CD1-CD2 3.79Å; F389-L439 HydrophobicContact CE1-CD2 3.77Å |
| 390 | T | 81.5 | Confident | 75 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 14% | 0.141 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60.3 | -41.9 | 179.8 | -58.1 | 0 | 0 | 0 | 0 | 111.7 | H386 A392 A393 M394 | H386-T390 PolarHBondContact CE1-OG1 3.04Å; H386-T390 VanDerWaalsContact CE1-OG1 3.3Å; H386-T390 PolarHBondContact NE2-OG1 3.31Å; H386-T390 WeakPolarHBondContact O-CB 3.48Å; H386-T390 PolarHBondContact O-N 3.34Å; H386-T390 PolarHBondContact O-OG1 3.37Å; T390-A392 VanDerWaalsContact C-N 3.33Å; T390-A392 PolarHBondContact O-N 3.21Å; T390-A393 PolarHBondContact O-N 3.29Å; T390-M394 HydrophobicContact CG2-CG 4.48Å; T390-M394 WeakPolarHBondContact O-CG 3.47Å; T390-M394 PolarHBondContact O-N 3.31Å; T390-M394 VanDerWaalsContact O-N 3.11Å |
| 391 | R | 71.8 | Confident | 74.3 | Confident | 153 Ų | 153 | 67.3 Ų | 67.3 | 58% | 0.577 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -61.6 | -37.1 | 173.9 | -81.1 | 173.8 | -77.1 | 161.7 | -9 | 112.9 | E387 Q388 F389 | E387-R391 WeakPolarHBondContact O-CG 3.45Å; E387-R391 PolarHBondContact O-N 3.09Å; E387-R391 PolarHBondContact O-NE 3.07Å; Q388-R391 PolarHBondContact O-N 3.35Å; F389-R391 VanDerWaalsContact C-N 3.33Å; F389-R391 PolarHBondContact O-N 3.15Å |
| 392 | A | 69.4 | Low | 73.3 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68.5 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q388 F389 T390 | Q388-A392 PolarHBondContact O-N 2.85Å; F389-A392 WeakPolarHBondContact O-CB 3.29Å; F389-A392 PolarHBondContact O-N 3.42Å; T390-A392 VanDerWaalsContact C-N 3.33Å; T390-A392 PolarHBondContact O-N 3.21Å |
| 393 | A | 74.1 | Confident | 72.2 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -65.4 | -38 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | F389 T390 N395 T396 F435 L439 | F389-A393 PolarHBondContact O-N 2.88Å; T390-A393 PolarHBondContact O-N 3.29Å; A393-N395 VanDerWaalsContact C-N 3.35Å; A393-N395 PolarHBondContact O-N 3.36Å; A393-T396 PolarHBondContact O-N 3.02Å; A393-F435 HydrophobicContact CB-CE1 4.05Å; A393-F435 HydrophobicContact CB-CZ 4.35Å; A393-L439 HydrophobicContact CB-CD1 4.13Å |
| 394 | M | 73.7 | Confident | 71.4 | Confident | 62 Ų | 62 | 71.2 Ų | 71.2 | 31% | 0.305 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.8 | -22.6 | -173.5 | -73.9 | -66.3 | 177.2 | 0 | 0 | 114.7 | T390 T396 Y397 I436 L439 | T390-M394 HydrophobicContact CG2-CG 4.48Å; T390-M394 WeakPolarHBondContact O-CG 3.47Å; T390-M394 PolarHBondContact O-N 3.31Å; T390-M394 VanDerWaalsContact O-N 3.11Å; M394-T396 PolarHBondContact O-N 2.71Å; M394-T396 VanDerWaalsContact O-N 3.14Å; M394-Y397 WeakPolarHBondContact O-CB 3.43Å; M394-Y397 PolarHBondContact O-N 3.23Å; M394-Y397 VanDerWaalsContact O-N 3.1Å; M394-I436 HydrophobicContact CE-CD1 4.15Å; M394-I436 HydrophobicContact CE-CG1 4.04Å; M394-I436 HydrophobicContact CE-CG2 4.48Å; M394-I436 HydrophobicContact SD-CD1 4.35Å; M394-L439 HydrophobicContact CE-CD1 4.39Å |
| 395 | N | 67.4 | Low | 70.5 | Confident | 128 Ų | 128 | 68.2 Ų | 68.2 | 68% | 0.684 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -30.8 | 176.8 | -93.1 | -33 | 0 | 0 | 0 | 113 | A393 Y397 | A393-N395 VanDerWaalsContact C-N 3.35Å; A393-N395 PolarHBondContact O-N 3.36Å; N395-Y397 VanDerWaalsContact C-N 3.29Å; N395-Y397 PolarHBondContact O-N 2.96Å |
| 396 | T | 63.7 | Low | 69.1 | Low | 22 Ų | 22 | 65.1 Ų | 65.1 | 14% | 0.135 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -14.9 | -177 | -35.8 | 0 | 0 | 0 | 0 | 113.2 | M354 W357 A393 M394 V398 N399 I400 | M354-T396 HydrophobicContact CE-CG2 3.95Å; W357-T396 HydrophobicContact CD2-CG2 3.92Å; W357-T396 HydrophobicContact CE3-CG2 3.85Å; W357-T396 VanDerWaalsContact CH2-CB 3.45Å; W357-T396 HydrophobicContact CH2-CG2 3.86Å; W357-T396 WeakPolarHBondContact CH2-OG1 3.41Å; W357-T396 HydrophobicContact CZ2-CG2 3.88Å; W357-T396 WeakPolarHBondContact CZ2-OG1 3.37Å; W357-T396 HydrophobicContact CZ3-CG2 3.83Å; A393-T396 PolarHBondContact O-N 3.02Å; M394-T396 PolarHBondContact O-N 2.71Å; M394-T396 VanDerWaalsContact O-N 3.14Å; T396-V398 PolarHBondContact O-N 3.01Å; T396-N399 PolarHBondContact O-N 3.06Å; T396-N399 VanDerWaalsContact O-N 3.13Å; T396-I400 PolarHBondContact O-N 3.4Å |
| 397 | Y | 68.7 | Low | 67.7 | Low | 98 Ų | 98 | 65.1 Ų | 65.1 | 38% | 0.384 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.5 | -37.8 | -180 | -178.3 | -140.5 | 0 | 0 | 0 | 112.8 | M394 N395 N399 I400 N401 W432 | M394-Y397 WeakPolarHBondContact O-CB 3.43Å; M394-Y397 PolarHBondContact O-N 3.23Å; M394-Y397 VanDerWaalsContact O-N 3.1Å; N395-Y397 VanDerWaalsContact C-N 3.29Å; N395-Y397 PolarHBondContact O-N 2.96Å; Y397-N399 VanDerWaalsContact C-N 3.27Å; Y397-N399 PolarHBondContact O-N 3.23Å; Y397-I400 PolarHBondContact O-N 3.45Å; Y397-N401 WeakPolarHBondContact CE1-ND2 3.49Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.3Å; Y397-N401 VanDerWaalsContact CE2-OD1 3.28Å; Y397-N401 WeakPolarHBondContact CE2-OD1 3.25Å; Y397-N401 PolarHBondContact O-N 3.09Å; Y397-N401 PolarHBondContact OH-ND2 2.79Å; Y397-N401 PolarHBondContact OH-OD1 3.11Å; Y397-W432 AromaticContact CD2-CE2 3.69Å; Y397-W432 AromaticContact CD2-CZ2 3.69Å; Y397-W432 HydrophobicContact CD2-CZ2 3.69Å; Y397-W432 AromaticContact CD2-NE1 3.28Å; Y397-W432 VanDerWaalsContact CD2-NE1 3.28Å; Y397-W432 AromaticContact CE2-NE1 3.6Å; Y397-W432 AromaticContact CG-CZ2 3.95Å; Y397-W432 HydrophobicContact CG-CZ2 3.95Å |
| 398 | V | 62.9 | Low | 66.8 | Low | 104 Ų | 104 | 66.3 Ų | 66.3 | 63% | 0.63 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -57.4 | -40.3 | -179.4 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | T396 H402 | T396-V398 PolarHBondContact O-N 3.01Å; V398-H402 WeakPolarHBondContact O-CB 3.48Å; V398-H402 PolarHBondContact O-N 2.94Å |
| 399 | N | 61.3 | Low | 65.7 | Low | 92 Ų | 92 | 67.4 Ų | 67.4 | 49% | 0.492 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -70.5 | -41.8 | -179.9 | -63.2 | -31.6 | 0 | 0 | 0 | 111.7 | M354 T396 Y397 H402 I403 | M354-N399 HydrophobicContact CE-CB 4.35Å; M354-N399 HydrophobicContact SD-CB 4.4Å; T396-N399 PolarHBondContact O-N 3.06Å; T396-N399 VanDerWaalsContact O-N 3.13Å; Y397-N399 VanDerWaalsContact C-N 3.27Å; Y397-N399 PolarHBondContact O-N 3.23Å; N399-H402 PolarHBondContact O-N 3.38Å; N399-I403 WeakPolarHBondContact O-CG1 3.29Å; N399-I403 PolarHBondContact O-N 3.03Å; N399-I403 VanDerWaalsContact O-N 3.1Å |
| 400 | I | 68.4 | Low | 64 | Low | 2 Ų | 2 | 67 Ų | 67 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.9 | -48.1 | 178 | -64.1 | 171 | 0 | 0 | 0 | 109.9 | M354 I358 T396 Y397 H402 I403 M404 L428 W432 | M354-I400 HydrophobicContact CE-CD1 4.38Å; M354-I400 HydrophobicContact CE-CG1 3.8Å; M354-I400 HydrophobicContact SD-CG1 3.71Å; I358-I400 HydrophobicContact CD1-CD1 4.33Å; T396-I400 PolarHBondContact O-N 3.4Å; Y397-I400 PolarHBondContact O-N 3.45Å; I400-H402 VanDerWaalsContact C-N 3.31Å; I400-H402 PolarHBondContact O-N 2.69Å; I400-I403 PolarHBondContact O-N 3.49Å; I400-M404 HydrophobicContact CG2-CG 4.37Å; I400-M404 WeakPolarHBondContact O-CG 3.46Å; I400-M404 PolarHBondContact O-N 2.98Å; I400-L428 HydrophobicContact CG2-CD2 4.37Å; I400-L428 HydrophobicContact CG2-CG 4.28Å; I400-W432 HydrophobicContact CD1-CB 4.2Å; I400-W432 HydrophobicContact CD1-CD2 3.43Å; I400-W432 VanDerWaalsContact CD1-CD2 3.43Å; I400-W432 HydrophobicContact CD1-CE3 3.39Å; I400-W432 HydrophobicContact CD1-CG 3.81Å; I400-W432 HydrophobicContact CD1-CH2 4.5Å; I400-W432 HydrophobicContact CD1-CZ3 3.97Å; I400-W432 HydrophobicContact CG2-CB 4.46Å; I400-W432 HydrophobicContact CG2-CG 4.25Å |
| 401 | N | 66.1 | Low | 62.8 | Low | 66 Ų | 66 | 67.6 Ų | 67.6 | 35% | 0.353 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -58.6 | -40.2 | 175.3 | -96.5 | -2.7 | 0 | 0 | 0 | 112.6 | Y397 M404 T405 | Y397-N401 WeakPolarHBondContact CE1-ND2 3.49Å; Y397-N401 WeakPolarHBondContact CE2-ND2 3.3Å; Y397-N401 VanDerWaalsContact CE2-OD1 3.28Å; Y397-N401 WeakPolarHBondContact CE2-OD1 3.25Å; Y397-N401 PolarHBondContact O-N 3.09Å; Y397-N401 PolarHBondContact OH-ND2 2.79Å; Y397-N401 PolarHBondContact OH-OD1 3.11Å; N401-M404 PolarHBondContact O-N 2.97Å; N401-T405 WeakPolarHBondContact O-CB 3.16Å; N401-T405 PolarHBondContact O-N 2.91Å; N401-T405 PolarHBondContact O-OG1 3.28Å |
| 402 | H | 58.6 | Low | 61.9 | Low | 129 Ų | 129 | 66.7 Ų | 66.7 | 60% | 0.597 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -62.1 | -46 | 177.3 | -170 | 82.8 | 0 | 0 | 0 | 111.7 | V398 N399 I400 T405 V406 | V398-H402 WeakPolarHBondContact O-CB 3.48Å; V398-H402 PolarHBondContact O-N 2.94Å; N399-H402 PolarHBondContact O-N 3.38Å; I400-H402 VanDerWaalsContact C-N 3.31Å; I400-H402 PolarHBondContact O-N 2.69Å; H402-T405 PolarHBondContact O-N 2.81Å; H402-V406 WeakPolarHBondContact O-CG2 3.34Å; H402-V406 PolarHBondContact O-N 3.44Å |
| 403 | I | 59.2 | Low | 60.8 | Low | 33 Ų | 33 | 70.5 Ų | 70.5 | 17% | 0.169 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -63.4 | -43.5 | 176.7 | -68.5 | 163.4 | 0 | 0 | 0 | 111.1 | I350 T351 M354 N399 I400 T405 V406 A407 L428 | I350-I403 HydrophobicContact CG2-CD1 3.78Å; I350-I403 HydrophobicContact CG2-CG1 4.24Å; T351-I403 HydrophobicContact CG2-CG2 4.27Å; M354-I403 HydrophobicContact CG-CD1 3.93Å; M354-I403 HydrophobicContact SD-CD1 3.54Å; M354-I403 VanDerWaalsContact SD-CD1 3.54Å; N399-I403 WeakPolarHBondContact O-CG1 3.29Å; N399-I403 PolarHBondContact O-N 3.03Å; N399-I403 VanDerWaalsContact O-N 3.1Å; I400-I403 PolarHBondContact O-N 3.49Å; I403-T405 PolarHBondContact O-N 2.88Å; I403-V406 PolarHBondContact O-N 3.13Å; I403-A407 WeakPolarHBondContact O-CB 3.49Å; I403-A407 PolarHBondContact O-N 3.32Å; I403-L428 HydrophobicContact CG2-CD2 4.11Å |
| 404 | M | 69.8 | Low | 59.2 | Low | 19 Ų | 19 | 73.3 Ų | 73.3 | 9% | 0.094 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 175.8 | -69.7 | -58.1 | -62.5 | 0 | 0 | 112.3 | I400 N401 A407 Q408 A425 E429 | I400-M404 HydrophobicContact CG2-CG 4.37Å; I400-M404 WeakPolarHBondContact O-CG 3.46Å; I400-M404 PolarHBondContact O-N 2.98Å; N401-M404 PolarHBondContact O-N 2.97Å; M404-A407 PolarHBondContact O-N 2.64Å; M404-Q408 PolarHBondContact O-N 3.14Å; M404-A425 HydrophobicContact CE-CB 3.9Å; M404-A425 HydrophobicContact SD-CB 3.75Å; M404-E429 HydrophobicContact CE-CB 3.72Å; M404-E429 HydrophobicContact CE-CG 3.95Å; M404-E429 VanDerWaalsContact CE-OE2 3.24Å; M404-E429 WeakPolarHBondContact CE-OE2 3.32Å; M404-E429 HydrophobicContact SD-CB 4.03Å |
| 405 | T | 60.9 | Low | 57.5 | Low | 58 Ų | 58 | 72.1 Ų | 72.1 | 36% | 0.356 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 111.7 | N401 H402 I403 R409 | N401-T405 WeakPolarHBondContact O-CB 3.16Å; N401-T405 PolarHBondContact O-N 2.91Å; N401-T405 PolarHBondContact O-OG1 3.28Å; H402-T405 PolarHBondContact O-N 2.81Å; I403-T405 PolarHBondContact O-N 2.88Å; T405-R409 WeakPolarHBondContact O-CG 3.5Å; T405-R409 PolarHBondContact O-N 2.94Å |
| 406 | V | 52.3 | Low | 56.3 | Low | 66 Ų | 66 | 71 Ų | 71 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.1 | -41.5 | 175.1 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | H402 I403 R409 L410 | H402-V406 WeakPolarHBondContact O-CG2 3.34Å; H402-V406 PolarHBondContact O-N 3.44Å; I403-V406 PolarHBondContact O-N 3.13Å; V406-R409 PolarHBondContact O-N 3.06Å; V406-L410 HydrophobicContact CG1-CD1 4.09Å; V406-L410 WeakPolarHBondContact O-CD1 3.29Å; V406-L410 WeakPolarHBondContact O-CG 3.5Å; V406-L410 PolarHBondContact O-N 3.4Å |
| 407 | A | 55.6 | Low | 55 | Low | 3 Ų | 3 | 69.9 Ų | 69.9 | 3% | 0.025 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.2 | -47.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I403 M404 R409 L410 L411 I421 A425 | I403-A407 WeakPolarHBondContact O-CB 3.49Å; I403-A407 PolarHBondContact O-N 3.32Å; M404-A407 PolarHBondContact O-N 2.64Å; A407-R409 PolarHBondContact O-N 3.28Å; A407-L410 WeakPolarHBondContact O-CB 3.13Å; A407-L410 PolarHBondContact O-N 3.05Å; A407-L410 VanDerWaalsContact O-N 3.14Å; A407-L411 WeakPolarHBondContact O-CG 3.41Å; A407-L411 PolarHBondContact O-N 3.35Å; A407-I421 HydrophobicContact CB-CG2 3.78Å; A407-A425 HydrophobicContact CB-CB 3.86Å |
| 408 | Q | 60.6 | Low | 54.2 | Low | 102 Ų | 102 | 66.1 Ų | 66.1 | 48% | 0.477 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.6 | -48.9 | 175.9 | -85.8 | 177 | -65.6 | 0 | 0 | 112.1 | M404 L410 L411 E412 | M404-Q408 PolarHBondContact O-N 3.14Å; Q408-L410 PolarHBondContact O-N 3.43Å; Q408-L410 VanDerWaalsContact O-N 3.15Å; Q408-L411 CarbonylContact O-C 3.6Å; Q408-L411 WeakPolarHBondContact O-CA 3.27Å; Q408-L411 WeakPolarHBondContact O-CB 3.39Å; Q408-L411 PolarHBondContact O-N 2.97Å; Q408-E412 WeakPolarHBondContact O-CB 3.43Å; Q408-E412 VanDerWaalsContact O-CG 3.28Å; Q408-E412 WeakPolarHBondContact O-CG 3.32Å; Q408-E412 PolarHBondContact O-N 3.48Å |
| 409 | R | 53.2 | Low | 53.4 | Low | 155 Ų | 155 | 65.5 Ų | 65.5 | 59% | 0.585 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.6 | -32.4 | 176.9 | -75.6 | 177.3 | 175.6 | 173.6 | -0.2 | 113.2 | T405 V406 A407 N413 | T405-R409 WeakPolarHBondContact O-CG 3.5Å; T405-R409 PolarHBondContact O-N 2.94Å; V406-R409 PolarHBondContact O-N 3.06Å; A407-R409 PolarHBondContact O-N 3.28Å; R409-N413 WeakPolarHBondContact O-CB 3.32Å; R409-N413 PolarHBondContact O-N 2.92Å; R409-N413 VanDerWaalsContact O-N 3.13Å; R409-N413 PolarHBondContact O-ND2 3.27Å |
| 410 | L | 45.7 | Very low | 52.7 | Low | 34 Ų | 34 | 64.6 Ų | 64.6 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -74.3 | -39.3 | 174.8 | -68.4 | 161.2 | 0 | 0 | 0 | 111.7 | F343 L347 V406 A407 Q408 H415 I421 | F343-L410 HydrophobicContact CE1-CD1 3.85Å; F343-L410 HydrophobicContact CE1-CD2 3.99Å; F343-L410 HydrophobicContact CZ-CD1 3.82Å; F343-L410 HydrophobicContact CZ-CD2 3.58Å; F343-L410 HydrophobicContact CZ-CG 4.37Å; L347-L410 HydrophobicContact CD1-CD1 4.19Å; V406-L410 HydrophobicContact CG1-CD1 4.09Å; V406-L410 WeakPolarHBondContact O-CD1 3.29Å; V406-L410 WeakPolarHBondContact O-CG 3.5Å; V406-L410 PolarHBondContact O-N 3.4Å; A407-L410 WeakPolarHBondContact O-CB 3.13Å; A407-L410 PolarHBondContact O-N 3.05Å; A407-L410 VanDerWaalsContact O-N 3.14Å; Q408-L410 PolarHBondContact O-N 3.43Å; Q408-L410 VanDerWaalsContact O-N 3.15Å; L410-H415 HydrophobicContact CB-CB 4.29Å; L410-H415 HydrophobicContact CD2-CB 4.47Å; L410-H415 WeakPolarHBondContact O-CB 3.39Å; L410-H415 PolarHBondContact O-N 2.91Å; L410-I421 HydrophobicContact CB-CD1 3.93Å; L410-I421 HydrophobicContact CB-CG2 4.43Å; L410-I421 HydrophobicContact CD1-CD1 4.23Å |
| 411 | L | 55.5 | Low | 51.9 | Low | 36 Ų | 36 | 64.5 Ų | 64.5 | 19% | 0.188 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 173.2 | -62 | 176.1 | 0 | 0 | 0 | 112.3 | A407 Q408 G414 S418 I421 R422 | A407-L411 WeakPolarHBondContact O-CG 3.41Å; A407-L411 PolarHBondContact O-N 3.35Å; Q408-L411 CarbonylContact O-C 3.6Å; Q408-L411 WeakPolarHBondContact O-CA 3.27Å; Q408-L411 WeakPolarHBondContact O-CB 3.39Å; Q408-L411 PolarHBondContact O-N 2.97Å; L411-G414 PolarHBondContact O-N 3.36Å; L411-S418 VanDerWaalsContact CD2-O 3.29Å; L411-S418 WeakPolarHBondContact CD2-O 3.39Å; L411-S418 WeakPolarHBondContact CD2-OG 3.47Å; L411-I421 HydrophobicContact CD2-CB 4.16Å; L411-I421 HydrophobicContact CD2-CG2 4.03Å; L411-I421 HydrophobicContact CG-CG2 4.15Å; L411-R422 HydrophobicContact CD1-CB 4.09Å; L411-R422 HydrophobicContact CD1-CG 4.11Å; L411-R422 HydrophobicContact CD2-CB 3.91Å |
| 412 | E | 53.4 | Low | 52 | Low | 135 Ų | 135 | 67.5 Ų | 67.5 | 63% | 0.631 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -69.2 | -42.6 | -179.1 | -72.5 | 162.1 | -178.6 | 0 | 0 | 112.4 | Q408 G414 | Q408-E412 WeakPolarHBondContact O-CB 3.43Å; Q408-E412 VanDerWaalsContact O-CG 3.28Å; Q408-E412 WeakPolarHBondContact O-CG 3.32Å; Q408-E412 PolarHBondContact O-N 3.48Å; E412-G414 PolarHBondContact O-N 3.22Å |
| 413 | N | 45.3 | Very low | 52.1 | Low | 136 Ų | 136 | 64.3 Ų | 64.3 | 73% | 0.727 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | 21.8 | 176.2 | -74.7 | -72.5 | 0 | 0 | 0 | 113.4 | R409 H415 | R409-N413 WeakPolarHBondContact O-CB 3.32Å; R409-N413 PolarHBondContact O-N 2.92Å; R409-N413 VanDerWaalsContact O-N 3.13Å; R409-N413 PolarHBondContact O-ND2 3.27Å; N413-H415 PolarHBondContact O-N 3.08Å; N413-H415 VanDerWaalsContact O-N 3.1Å |
| 414 | G | 41 | Very low | 52.1 | Low | 60 Ų | 60 | 64 Ų | 64 | 62% | 0.619 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 23.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | L411 E412 Y416 | L411-G414 PolarHBondContact O-N 3.36Å; E412-G414 PolarHBondContact O-N 3.22Å; G414-Y416 PolarHBondContact O-N 3.32Å |
| 415 | H | 37 | Very low | 52 | Low | 37 Ų | 37 | 63.4 Ų | 63.4 | 17% | 0.171 | 34% | 0.337 | C | S | . | . | trans | -64.7 | 111.4 | -172 | -171.9 | -92.2 | 0 | 0 | 0 | 109.6 | F343 L410 N413 A417 S418 | F343-H415 AromaticContact CD1-CE1 3.2Å; F343-H415 WeakPolarHBondContact CD1-CE1 3.14Å; F343-H415 AromaticContact CD1-NE2 3.73Å; F343-H415 AromaticContact CE1-CE1 3.61Å; F343-H415 AromaticContact CG-CE1 3.6Å; F343-H415 AromaticContact CG-NE2 3.75Å; L410-H415 HydrophobicContact CB-CB 4.29Å; L410-H415 HydrophobicContact CD2-CB 4.47Å; L410-H415 WeakPolarHBondContact O-CB 3.39Å; L410-H415 PolarHBondContact O-N 2.91Å; N413-H415 PolarHBondContact O-N 3.08Å; N413-H415 VanDerWaalsContact O-N 3.1Å; H415-A417 WeakPolarHBondContact ND1-CB 3Å; H415-A417 PolarHBondContact ND1-N 2.66Å; H415-A417 PolarHBondContact O-N 2.86Å; H415-S418 WeakPolarHBondContact O-CA 3.21Å; H415-S418 WeakPolarHBondContact O-CB 3.45Å; H415-S418 PolarHBondContact O-N 3.36Å; H415-S418 PolarHBondContact O-OG 3Å | ||
| 416 | Y | 43.1 | Very low | 52.7 | Low | 103 Ų | 103 | 64.7 Ų | 64.7 | 40% | 0.404 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.5 | -28.3 | -178.2 | 72.1 | -40.8 | 0 | 0 | 0 | 117.2 | R339 F340 G414 S418 | R339-Y416 VanDerWaalsContact C-CE2 3.46Å; R339-Y416 HydrophobicContact CB-CE2 3.94Å; R339-Y416 PolarHBondContact O-OH 2.98Å; F340-Y416 VanDerWaalsContact CA-CE2 3.45Å; F340-Y416 HydrophobicContact CB-CE2 4.24Å; F340-Y416 AromaticContact CD2-CD2 3.96Å; F340-Y416 HydrophobicContact CD2-CD2 3.96Å; F340-Y416 HydrophobicContact CD2-CE2 4.07Å; G414-Y416 PolarHBondContact O-N 3.32Å; Y416-S418 PolarHBondContact O-N 2.79Å |
| 417 | A | 37.4 | Very low | 53.8 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 4.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | F340 L344 H415 P419 I420 I421 | F340-A417 HydrophobicContact CE2-CB 4.28Å; L344-A417 HydrophobicContact CD1-CB 3.94Å; L344-A417 HydrophobicContact CD2-CB 3.94Å; L344-A417 HydrophobicContact CG-CB 3.8Å; H415-A417 WeakPolarHBondContact ND1-CB 3Å; H415-A417 PolarHBondContact ND1-N 2.66Å; H415-A417 PolarHBondContact O-N 2.86Å; A417-P419 VanDerWaalsContact C-N 3.35Å; A417-P419 VanDerWaalsContact O-N 3.16Å; A417-I420 PolarHBondContact O-N 2.85Å; A417-I421 HydrophobicContact CB-CD1 3.99Å; A417-I421 HydrophobicContact CB-CG1 4.41Å; A417-I421 WeakPolarHBondContact O-CG1 3.47Å; A417-I421 PolarHBondContact O-N 3.37Å |
| 418 | S | 50.3 | Low | 54.7 | Low | 18 Ų | 18 | 67.6 Ų | 67.6 | 13% | 0.126 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -43.9 | -42.4 | -177 | -82 | 0 | 0 | 0 | 0 | 115.8 | L411 H415 Y416 I420 I421 R422 | L411-S418 VanDerWaalsContact CD2-O 3.29Å; L411-S418 WeakPolarHBondContact CD2-O 3.39Å; L411-S418 WeakPolarHBondContact CD2-OG 3.47Å; H415-S418 WeakPolarHBondContact O-CA 3.21Å; H415-S418 WeakPolarHBondContact O-CB 3.45Å; H415-S418 PolarHBondContact O-N 3.36Å; H415-S418 PolarHBondContact O-OG 3Å; Y416-S418 PolarHBondContact O-N 2.79Å; S418-I420 VanDerWaalsContact C-N 3.33Å; S418-I420 PolarHBondContact O-N 3.01Å; S418-I421 PolarHBondContact O-N 3.28Å; S418-R422 WeakPolarHBondContact O-CB 3.41Å; S418-R422 PolarHBondContact O-N 3.01Å |
| 419 | P | 47.8 | Very low | 55.6 | Low | 91 Ų | 91 | 65.7 Ų | 65.7 | 59% | 0.591 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -60 | -41.2 | -177.4 | -26.1 | 36.1 | 0 | 0 | 0 | 113.2 | A417 A423 | A417-P419 VanDerWaalsContact C-N 3.35Å; A417-P419 VanDerWaalsContact O-N 3.16Å; P419-A423 VanDerWaalsContact O-CB 3.26Å; P419-A423 WeakPolarHBondContact O-CB 3.38Å; P419-A423 PolarHBondContact O-N 3.37Å |
| 420 | I | 46.4 | Very low | 56.9 | Low | 73 Ų | 73 | 63.3 Ų | 63.3 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -79.6 | -40.2 | -179.7 | -62.4 | 162.9 | 0 | 0 | 0 | 110.4 | F340 L344 A417 S418 R422 A423 V424 | F340-I420 HydrophobicContact CE1-CD1 3.93Å; F340-I420 HydrophobicContact CZ-CD1 3.99Å; L344-I420 HydrophobicContact CD1-CD1 3.76Å; L344-I420 HydrophobicContact CD2-CB 3.66Å; L344-I420 HydrophobicContact CD2-CD1 3.85Å; L344-I420 HydrophobicContact CD2-CG1 4.37Å; L344-I420 HydrophobicContact CD2-CG2 3.65Å; L344-I420 HydrophobicContact CG-CD1 4.44Å; A417-I420 PolarHBondContact O-N 2.85Å; S418-I420 VanDerWaalsContact C-N 3.33Å; S418-I420 PolarHBondContact O-N 3.01Å; I420-R422 VanDerWaalsContact C-N 3.26Å; I420-R422 PolarHBondContact O-N 3Å; I420-A423 PolarHBondContact O-N 2.9Å; I420-V424 HydrophobicContact CG2-CG2 4.09Å; I420-V424 WeakPolarHBondContact O-CB 3.42Å; I420-V424 VanDerWaalsContact O-CG2 3.3Å; I420-V424 WeakPolarHBondContact O-CG2 3.32Å; I420-V424 PolarHBondContact O-N 3.06Å |
| 421 | I | 51.5 | Low | 58.4 | Low | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -55.1 | -45.9 | 173.6 | -65 | 174 | 0 | 0 | 0 | 110.1 | F343 L347 A407 L410 L411 A417 S418 A425 | F343-I421 HydrophobicContact CE1-CD1 4.15Å; L347-I421 HydrophobicContact CD1-CD1 4.07Å; L347-I421 HydrophobicContact CD1-CG1 3.9Å; L347-I421 HydrophobicContact CD2-CG1 4.4Å; A407-I421 HydrophobicContact CB-CG2 3.78Å; L410-I421 HydrophobicContact CB-CD1 3.93Å; L410-I421 HydrophobicContact CB-CG2 4.43Å; L410-I421 HydrophobicContact CD1-CD1 4.23Å; L411-I421 HydrophobicContact CD2-CB 4.16Å; L411-I421 HydrophobicContact CD2-CG2 4.03Å; L411-I421 HydrophobicContact CG-CG2 4.15Å; A417-I421 HydrophobicContact CB-CD1 3.99Å; A417-I421 HydrophobicContact CB-CG1 4.41Å; A417-I421 WeakPolarHBondContact O-CG1 3.47Å; A417-I421 PolarHBondContact O-N 3.37Å; S418-I421 PolarHBondContact O-N 3.28Å; I421-A425 WeakPolarHBondContact O-CB 3.25Å; I421-A425 PolarHBondContact O-N 3.12Å |
| 422 | R | 67.8 | Low | 59.6 | Low | 128 Ų | 128 | 61.9 Ų | 61.9 | 48% | 0.483 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -68.3 | -46.4 | 176.6 | -163.3 | 177.3 | -59.6 | -177.4 | 1.7 | 112.2 | L411 S418 I420 V424 A425 N426 | L411-R422 HydrophobicContact CD1-CB 4.09Å; L411-R422 HydrophobicContact CD1-CG 4.11Å; L411-R422 HydrophobicContact CD2-CB 3.91Å; S418-R422 WeakPolarHBondContact O-CB 3.41Å; S418-R422 PolarHBondContact O-N 3.01Å; I420-R422 VanDerWaalsContact C-N 3.26Å; I420-R422 PolarHBondContact O-N 3Å; R422-V424 VanDerWaalsContact C-N 3.31Å; R422-V424 PolarHBondContact O-N 3.42Å; R422-A425 PolarHBondContact O-N 3.34Å; R422-N426 WeakPolarHBondContact O-CB 3.2Å; R422-N426 PolarHBondContact O-N 3.41Å; R422-N426 PolarHBondContact O-OD1 3.49Å |
| 423 | A | 61.4 | Low | 60.9 | Low | 62 Ų | 62 | 60.6 Ų | 60.6 | 51% | 0.512 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.5 | -42.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | P419 I420 R427 | P419-A423 VanDerWaalsContact O-CB 3.26Å; P419-A423 WeakPolarHBondContact O-CB 3.38Å; P419-A423 PolarHBondContact O-N 3.37Å; I420-A423 PolarHBondContact O-N 2.9Å; A423-R427 VanDerWaalsContact O-CB 3.23Å; A423-R427 WeakPolarHBondContact O-CB 3.42Å; A423-R427 PolarHBondContact O-N 2.98Å |
| 424 | V | 58.9 | Low | 62.5 | Low | 28 Ų | 28 | 57 Ų | 57 | 17% | 0.17 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -75.4 | -41.6 | -179.7 | 179.2 | 0 | 0 | 0 | 0 | 111.6 | T351 F355 I420 R422 R427 L428 | T351-V424 HydrophobicContact CG2-CG1 3.51Å; T351-V424 VanDerWaalsContact OG1-CG1 3.28Å; T351-V424 WeakPolarHBondContact OG1-CG1 3.36Å; F355-V424 HydrophobicContact CE2-CG1 4.47Å; I420-V424 HydrophobicContact CG2-CG2 4.09Å; I420-V424 WeakPolarHBondContact O-CB 3.42Å; I420-V424 VanDerWaalsContact O-CG2 3.3Å; I420-V424 WeakPolarHBondContact O-CG2 3.32Å; I420-V424 PolarHBondContact O-N 3.06Å; R422-V424 VanDerWaalsContact C-N 3.31Å; R422-V424 PolarHBondContact O-N 3.42Å; V424-R427 PolarHBondContact O-N 3.48Å; V424-L428 PolarHBondContact O-N 2.98Å |
| 425 | A | 67.6 | Low | 64.4 | Low | 6 Ų | 6 | 54.2 Ų | 54.2 | 5% | 0.05 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -60.2 | -52.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | M404 A407 I421 R422 R427 L428 E429 | M404-A425 HydrophobicContact CE-CB 3.9Å; M404-A425 HydrophobicContact SD-CB 3.75Å; A407-A425 HydrophobicContact CB-CB 3.86Å; I421-A425 WeakPolarHBondContact O-CB 3.25Å; I421-A425 PolarHBondContact O-N 3.12Å; R422-A425 PolarHBondContact O-N 3.34Å; A425-R427 VanDerWaalsContact C-N 3.26Å; A425-R427 PolarHBondContact O-N 3.33Å; A425-L428 PolarHBondContact O-N 2.92Å; A425-L428 VanDerWaalsContact O-N 3.11Å; A425-E429 WeakPolarHBondContact O-CB 3.34Å; A425-E429 PolarHBondContact O-N 3.2Å |
| 426 | N | 75 | Confident | 66.6 | Low | 84 Ų | 84 | 54 Ų | 54 | 45% | 0.449 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61.6 | -33.2 | 177.7 | -67.1 | 25.6 | 0 | 0 | 0 | 112.3 | R422 R430 | R422-N426 WeakPolarHBondContact O-CB 3.2Å; R422-N426 PolarHBondContact O-N 3.41Å; R422-N426 PolarHBondContact O-OD1 3.49Å; N426-R430 VanDerWaalsContact O-CB 3.22Å; N426-R430 WeakPolarHBondContact O-CB 3.24Å; N426-R430 PolarHBondContact O-N 2.88Å; N426-R430 VanDerWaalsContact O-N 3.13Å |
| 427 | R | 75.5 | Confident | 68.4 | Low | 131 Ų | 131 | 53.9 Ų | 53.9 | 49% | 0.494 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -62.8 | -50.7 | 173.6 | -179.9 | 81.3 | -146.8 | -178.8 | 14.5 | 109.9 | F355 A423 V424 A425 R430 D431 | F355-R427 HydrophobicContact CE1-CB 4.2Å; F355-R427 HydrophobicContact CE1-CG 3.48Å; F355-R427 VanDerWaalsContact CE1-CG 3.48Å; F355-R427 HydrophobicContact CE2-CG 4.36Å; F355-R427 HydrophobicContact CZ-CB 3.82Å; F355-R427 HydrophobicContact CZ-CG 3.39Å; A423-R427 VanDerWaalsContact O-CB 3.23Å; A423-R427 WeakPolarHBondContact O-CB 3.42Å; A423-R427 PolarHBondContact O-N 2.98Å; V424-R427 PolarHBondContact O-N 3.48Å; A425-R427 VanDerWaalsContact C-N 3.26Å; A425-R427 PolarHBondContact O-N 3.33Å; R427-R430 VanDerWaalsContact CD-NH2 3.29Å; R427-R430 VanDerWaalsContact CZ-NH2 3.28Å; R427-R430 PolarHBondContact O-NH2 3.37Å; R427-D431 IonicContact CZ-OD1 2.63Å; R427-D431 IonicContact CZ-OD2 2.65Å; R427-D431 IonicContact NE-OD1 3.69Å; R427-D431 IonicContact NE-OD2 3.35Å; R427-D431 PolarHBondContact NE-OD2 2.95Å; R427-D431 IonicContact NH2-OD1 2.69Å; R427-D431 PolarHBondContact NH2-OD1 2.88Å; R427-D431 VanDerWaalsContact NH2-OD1 3.11Å; R427-D431 IonicContact NH2-OD2 3.95Å; R427-D431 PolarHBondContact NH2-OD2 3.23Å; R427-D431 PolarHBondContact O-N 3.22Å; R427-D431 VanDerWaalsContact O-N 3.08Å |
| 428 | L | 74.3 | Confident | 70.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.7 | -47.3 | -180 | -179.3 | 61.9 | 0 | 0 | 0 | 112.4 | M354 F355 I358 I400 I403 V424 A425 R430 D431 W432 | M354-L428 HydrophobicContact CB-CD1 3.67Å; M354-L428 HydrophobicContact CB-CD2 4.39Å; F355-L428 HydrophobicContact CD1-CD1 4.46Å; F355-L428 HydrophobicContact CE1-CB 4.02Å; F355-L428 HydrophobicContact CE1-CD1 4.17Å; F355-L428 HydrophobicContact CZ-CB 3.84Å; F355-L428 HydrophobicContact CZ-CD1 4.47Å; I358-L428 HydrophobicContact CD1-CD1 3.7Å; I400-L428 HydrophobicContact CG2-CD2 4.37Å; I400-L428 HydrophobicContact CG2-CG 4.28Å; I403-L428 HydrophobicContact CG2-CD2 4.11Å; V424-L428 PolarHBondContact O-N 2.98Å; A425-L428 PolarHBondContact O-N 2.92Å; A425-L428 VanDerWaalsContact O-N 3.11Å; L428-R430 VanDerWaalsContact C-N 3.35Å; L428-R430 PolarHBondContact O-N 3.09Å; L428-D431 PolarHBondContact O-N 3.39Å; L428-W432 WeakPolarHBondContact O-CB 3.48Å; L428-W432 PolarHBondContact O-N 3.15Å |
| 429 | E | 79.7 | Confident | 72 | Confident | 62 Ų | 62 | 53.1 Ų | 53.1 | 29% | 0.29 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 179 | -165.7 | -165.5 | 152.9 | 0 | 0 | 112.1 | M404 A425 K433 | M404-E429 HydrophobicContact CE-CB 3.72Å; M404-E429 HydrophobicContact CE-CG 3.95Å; M404-E429 VanDerWaalsContact CE-OE2 3.24Å; M404-E429 WeakPolarHBondContact CE-OE2 3.32Å; M404-E429 HydrophobicContact SD-CB 4.03Å; A425-E429 WeakPolarHBondContact O-CB 3.34Å; A425-E429 PolarHBondContact O-N 3.2Å; E429-K433 HydrophobicContact CG-CD 4.23Å; E429-K433 WeakPolarHBondContact O-CB 3.45Å; E429-K433 WeakPolarHBondContact O-CG 3.26Å; E429-K433 PolarHBondContact O-N 3.37Å; E429-K433 WeakPolarHBondContact OE1-CE 3.16Å; E429-K433 IonicContact OE1-NZ 2.81Å; E429-K433 PolarHBondContact OE1-NZ 3.38Å |
| 430 | R | 80.1 | Confident | 73.7 | Confident | 104 Ų | 104 | 52.5 Ų | 52.5 | 39% | 0.392 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -68.1 | -45.9 | 178.2 | 178.3 | -170.4 | 52.1 | 56.9 | 39.7 | 111.9 | N426 R427 L428 W432 K433 T434 | N426-R430 VanDerWaalsContact O-CB 3.22Å; N426-R430 WeakPolarHBondContact O-CB 3.24Å; N426-R430 PolarHBondContact O-N 2.88Å; N426-R430 VanDerWaalsContact O-N 3.13Å; R427-R430 VanDerWaalsContact CD-NH2 3.29Å; R427-R430 VanDerWaalsContact CZ-NH2 3.28Å; R427-R430 PolarHBondContact O-NH2 3.37Å; L428-R430 VanDerWaalsContact C-N 3.35Å; L428-R430 PolarHBondContact O-N 3.09Å; R430-W432 VanDerWaalsContact C-N 3.29Å; R430-W432 PolarHBondContact O-N 3.03Å; R430-K433 PolarHBondContact O-N 3.14Å; R430-T434 PolarHBondContact O-N 2.92Å; R430-T434 PolarHBondContact O-OG1 3.06Å |
| 431 | D | 76.9 | Confident | 75.4 | Confident | 31 Ų | 31 | 54.1 Ų | 54.1 | 17% | 0.166 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.8 | -35.4 | 179 | -70.1 | -30.2 | 0 | 0 | 0 | 110.9 | R427 L428 F435 | R427-D431 IonicContact CZ-OD1 2.63Å; R427-D431 IonicContact CZ-OD2 2.65Å; R427-D431 IonicContact NE-OD1 3.69Å; R427-D431 IonicContact NE-OD2 3.35Å; R427-D431 PolarHBondContact NE-OD2 2.95Å; R427-D431 IonicContact NH2-OD1 2.69Å; R427-D431 PolarHBondContact NH2-OD1 2.88Å; R427-D431 VanDerWaalsContact NH2-OD1 3.11Å; R427-D431 IonicContact NH2-OD2 3.95Å; R427-D431 PolarHBondContact NH2-OD2 3.23Å; R427-D431 PolarHBondContact O-N 3.22Å; R427-D431 VanDerWaalsContact O-N 3.08Å; L428-D431 PolarHBondContact O-N 3.39Å; D431-F435 PolarHBondContact O-N 3.34Å |
| 432 | W | 80.7 | Confident | 77 | Confident | 9 Ų | 9 | 54.6 Ų | 54.6 | 3% | 0.034 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.1 | -47.6 | 172.2 | 175.6 | -112.6 | 0 | 0 | 0 | 113.6 | W357 I358 Y397 I400 L428 R430 T434 F435 I436 | W357-W432 HydrophobicContact CH2-CZ3 4.35Å; W357-W432 AromaticContact CZ3-CZ3 3.9Å; W357-W432 HydrophobicContact CZ3-CZ3 3.9Å; I358-W432 HydrophobicContact CD1-CB 4.18Å; Y397-W432 AromaticContact CD2-CE2 3.69Å; Y397-W432 AromaticContact CD2-CZ2 3.69Å; Y397-W432 HydrophobicContact CD2-CZ2 3.69Å; Y397-W432 AromaticContact CD2-NE1 3.28Å; Y397-W432 VanDerWaalsContact CD2-NE1 3.28Å; Y397-W432 AromaticContact CE2-NE1 3.6Å; Y397-W432 AromaticContact CG-CZ2 3.95Å; Y397-W432 HydrophobicContact CG-CZ2 3.95Å; I400-W432 HydrophobicContact CD1-CB 4.2Å; I400-W432 HydrophobicContact CD1-CD2 3.43Å; I400-W432 VanDerWaalsContact CD1-CD2 3.43Å; I400-W432 HydrophobicContact CD1-CE3 3.39Å; I400-W432 HydrophobicContact CD1-CG 3.81Å; I400-W432 HydrophobicContact CD1-CH2 4.5Å; I400-W432 HydrophobicContact CD1-CZ3 3.97Å; I400-W432 HydrophobicContact CG2-CB 4.46Å; I400-W432 HydrophobicContact CG2-CG 4.25Å; L428-W432 WeakPolarHBondContact O-CB 3.48Å; L428-W432 PolarHBondContact O-N 3.15Å; R430-W432 VanDerWaalsContact C-N 3.29Å; R430-W432 PolarHBondContact O-N 3.03Å; W432-T434 VanDerWaalsContact C-N 3.26Å; W432-T434 PolarHBondContact O-N 2.86Å; W432-F435 HydrophobicContact CE3-CD1 4.29Å; W432-F435 AromaticContact CZ3-CD1 3.99Å; W432-F435 HydrophobicContact CZ3-CD1 3.99Å; W432-F435 HydrophobicContact CZ3-CE1 4.45Å; W432-F435 PolarHBondContact O-N 3.11Å; W432-F435 VanDerWaalsContact O-N 3.09Å; W432-I436 HydrophobicContact CD2-CD1 4.46Å; W432-I436 HydrophobicContact CD2-CG1 4.43Å; W432-I436 HydrophobicContact CH2-CG1 4.44Å; W432-I436 HydrophobicContact CZ2-CD1 3.59Å; W432-I436 HydrophobicContact CZ2-CG1 3.91Å; W432-I436 PolarHBondContact O-N 3.37Å |
| 433 | K | 80.7 | Confident | 77.9 | Confident | 109 Ų | 109 | 51 Ų | 51 | 47% | 0.474 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -59.2 | -36.6 | 177 | -81.3 | 175.7 | 168.6 | 175.3 | 0 | 112.4 | E429 R430 F435 N437 | E429-K433 HydrophobicContact CG-CD 4.23Å; E429-K433 WeakPolarHBondContact O-CB 3.45Å; E429-K433 WeakPolarHBondContact O-CG 3.26Å; E429-K433 PolarHBondContact O-N 3.37Å; E429-K433 WeakPolarHBondContact OE1-CE 3.16Å; E429-K433 IonicContact OE1-NZ 2.81Å; E429-K433 PolarHBondContact OE1-NZ 3.38Å; R430-K433 PolarHBondContact O-N 3.14Å; K433-F435 VanDerWaalsContact C-N 3.29Å; K433-F435 PolarHBondContact O-N 3.24Å; K433-N437 WeakPolarHBondContact O-CB 3.2Å; K433-N437 PolarHBondContact O-N 3.38Å; K433-N437 VanDerWaalsContact O-N 3.09Å; K433-N437 PolarHBondContact O-OD1 3.2Å |
| 434 | T | 79.8 | Confident | 79 | Confident | 60 Ų | 60 | 50.7 Ų | 50.7 | 37% | 0.368 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 176.8 | -49.4 | 0 | 0 | 0 | 0 | 111.5 | R430 W432 A438 L521 | R430-T434 PolarHBondContact O-N 2.92Å; R430-T434 PolarHBondContact O-OG1 3.06Å; W432-T434 VanDerWaalsContact C-N 3.26Å; W432-T434 PolarHBondContact O-N 2.86Å; T434-A438 PolarHBondContact O-N 3.49Å; T434-L521 HydrophobicContact CG2-CD2 4.36Å |
| 435 | F | 81.5 | Confident | 80.3 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 0% | 0.004 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -74.6 | -44 | 178 | -179.4 | -125.2 | 0 | 0 | 0 | 113.2 | H361 V362 F365 F389 A393 D431 W432 K433 N437 A438 L439 | H361-F435 HydrophobicContact CB-CE1 4.03Å; H361-F435 HydrophobicContact CB-CZ 3.81Å; V362-F435 HydrophobicContact CG2-CB 4.34Å; V362-F435 HydrophobicContact CG2-CD2 3.61Å; V362-F435 HydrophobicContact CG2-CE2 4.2Å; V362-F435 HydrophobicContact CG2-CG 4.15Å; F365-F435 HydrophobicContact CB-CE2 3.96Å; F365-F435 HydrophobicContact CD1-CE2 4.2Å; F365-F435 HydrophobicContact CG-CE2 4.13Å; F389-F435 HydrophobicContact CE1-CZ 4.17Å; F389-F435 HydrophobicContact CZ-CZ 4.32Å; A393-F435 HydrophobicContact CB-CE1 4.05Å; A393-F435 HydrophobicContact CB-CZ 4.35Å; D431-F435 PolarHBondContact O-N 3.34Å; W432-F435 HydrophobicContact CE3-CD1 4.29Å; W432-F435 AromaticContact CZ3-CD1 3.99Å; W432-F435 HydrophobicContact CZ3-CD1 3.99Å; W432-F435 HydrophobicContact CZ3-CE1 4.45Å; W432-F435 PolarHBondContact O-N 3.11Å; W432-F435 VanDerWaalsContact O-N 3.09Å; K433-F435 VanDerWaalsContact C-N 3.29Å; K433-F435 PolarHBondContact O-N 3.24Å; F435-N437 PolarHBondContact O-N 3.17Å; F435-A438 PolarHBondContact O-N 3.49Å; F435-L439 HydrophobicContact CD1-CD1 4.32Å; F435-L439 HydrophobicContact CE1-CD1 3.94Å; F435-L439 HydrophobicContact CE2-CG 4.4Å; F435-L439 HydrophobicContact CZ-CD1 4.05Å; F435-L439 HydrophobicContact CZ-CD2 4.48Å; F435-L439 HydrophobicContact CZ-CG 4.33Å; F435-L439 PolarHBondContact O-N 3.05Å; F435-L439 VanDerWaalsContact O-N 3.17Å |
| 436 | I | 82.1 | Confident | 81.2 | Confident | 32 Ų | 32 | 49.9 Ų | 49.9 | 16% | 0.164 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -56.8 | -49.4 | 173.7 | -75.1 | -172.3 | 0 | 0 | 0 | 110.9 | M394 W432 A438 L439 D440 | M394-I436 HydrophobicContact CE-CD1 4.15Å; M394-I436 HydrophobicContact CE-CG1 4.04Å; M394-I436 HydrophobicContact CE-CG2 4.48Å; M394-I436 HydrophobicContact SD-CD1 4.35Å; W432-I436 HydrophobicContact CD2-CD1 4.46Å; W432-I436 HydrophobicContact CD2-CG1 4.43Å; W432-I436 HydrophobicContact CH2-CG1 4.44Å; W432-I436 HydrophobicContact CZ2-CD1 3.59Å; W432-I436 HydrophobicContact CZ2-CG1 3.91Å; W432-I436 PolarHBondContact O-N 3.37Å; I436-A438 PolarHBondContact O-N 3.41Å; I436-A438 VanDerWaalsContact O-N 3.11Å; I436-L439 WeakPolarHBondContact O-CB 3.43Å; I436-L439 PolarHBondContact O-N 3.45Å; I436-D440 WeakPolarHBondContact CG2-OD2 3.15Å; I436-D440 PolarHBondContact O-N 3.26Å |
| 437 | N | 81.3 | Confident | 81.8 | Confident | 102 Ų | 102 | 51.5 Ų | 51.5 | 55% | 0.545 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -56.3 | -34.4 | -178.4 | -72.2 | 5.9 | 0 | 0 | 0 | 112 | K433 F435 M441 | K433-N437 WeakPolarHBondContact O-CB 3.2Å; K433-N437 PolarHBondContact O-N 3.38Å; K433-N437 VanDerWaalsContact O-N 3.09Å; K433-N437 PolarHBondContact O-OD1 3.2Å; F435-N437 PolarHBondContact O-N 3.17Å; N437-M441 WeakPolarHBondContact O-CB 3.22Å; N437-M441 WeakPolarHBondContact O-CG 3.22Å; N437-M441 PolarHBondContact O-N 2.73Å; N437-M441 VanDerWaalsContact O-N 3.12Å |
| 438 | A | 79.7 | Confident | 82.4 | Confident | 2 Ų | 2 | 46.3 Ų | 46.3 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -75.2 | -36.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | F365 T434 F435 I436 R442 P519 L521 | F365-A438 HydrophobicContact CE1-CB 3.69Å; F365-A438 HydrophobicContact CZ-CB 4.41Å; F365-A438 WeakPolarHBondContact CZ-O 3.44Å; T434-A438 PolarHBondContact O-N 3.49Å; F435-A438 PolarHBondContact O-N 3.49Å; I436-A438 PolarHBondContact O-N 3.41Å; I436-A438 VanDerWaalsContact O-N 3.11Å; A438-R442 PolarHBondContact O-N 3.32Å; A438-R442 VanDerWaalsContact O-N 3.16Å; A438-P519 HydrophobicContact CB-CB 4.42Å; A438-P519 HydrophobicContact CB-CG 4.34Å; A438-L521 HydrophobicContact CB-CD1 3.75Å; A438-L521 HydrophobicContact CB-CD2 4Å; A438-L521 HydrophobicContact CB-CG 4.07Å |
| 439 | L | 83.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.5 | -50 | 170.8 | -74.2 | 166.9 | 0 | 0 | 0 | 111.1 | F365 H386 F389 A393 M394 F435 I436 M441 R442 T443 | F365-L439 HydrophobicContact CD2-CD2 3.96Å; F365-L439 HydrophobicContact CE2-CD2 3.73Å; F365-L439 HydrophobicContact CZ-CD2 4.26Å; H386-L439 PolarHBondContact CE1-O 2.96Å; H386-L439 PolarHBondContact NE2-O 3.02Å; F389-L439 HydrophobicContact CD1-CD2 3.79Å; F389-L439 HydrophobicContact CE1-CD2 3.77Å; A393-L439 HydrophobicContact CB-CD1 4.13Å; M394-L439 HydrophobicContact CE-CD1 4.39Å; F435-L439 HydrophobicContact CD1-CD1 4.32Å; F435-L439 HydrophobicContact CE1-CD1 3.94Å; F435-L439 HydrophobicContact CE2-CG 4.4Å; F435-L439 HydrophobicContact CZ-CD1 4.05Å; F435-L439 HydrophobicContact CZ-CD2 4.48Å; F435-L439 HydrophobicContact CZ-CG 4.33Å; F435-L439 PolarHBondContact O-N 3.05Å; F435-L439 VanDerWaalsContact O-N 3.17Å; I436-L439 WeakPolarHBondContact O-CB 3.43Å; I436-L439 PolarHBondContact O-N 3.45Å; L439-M441 PolarHBondContact O-N 3.04Å; L439-R442 PolarHBondContact O-N 2.7Å; L439-T443 PolarHBondContact O-N 3.48Å; L439-T443 PolarHBondContact O-OG1 3.24Å |
| 440 | D | 83.6 | Confident | 83.5 | Confident | 77 Ų | 77 | 45.6 Ų | 45.6 | 41% | 0.412 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -66.6 | -35.4 | -177.3 | -69.9 | -25.1 | 0 | 0 | 0 | 112.6 | I436 T443 S444 | I436-D440 WeakPolarHBondContact CG2-OD2 3.15Å; I436-D440 PolarHBondContact O-N 3.26Å; D440-T443 PolarHBondContact O-N 3.03Å; D440-S444 PolarHBondContact O-N 3.23Å; D440-S444 VanDerWaalsContact O-N 3.11Å; D440-S444 PolarHBondContact O-OG 2.87Å |
| 441 | M | 81.8 | Confident | 84 | Confident | 108 Ų | 108 | 44.4 Ų | 44.4 | 53% | 0.532 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.7 | -46.2 | 170.9 | -70.8 | -81.9 | 88.5 | 0 | 0 | 111.5 | N437 L439 T443 S444 V445 | N437-M441 WeakPolarHBondContact O-CB 3.22Å; N437-M441 WeakPolarHBondContact O-CG 3.22Å; N437-M441 PolarHBondContact O-N 2.73Å; N437-M441 VanDerWaalsContact O-N 3.12Å; L439-M441 PolarHBondContact O-N 3.04Å; M441-T443 PolarHBondContact O-N 3.19Å; M441-S444 WeakPolarHBondContact O-CB 3.38Å; M441-S444 PolarHBondContact O-N 3.45Å; M441-S444 VanDerWaalsContact O-N 3.13Å; M441-V445 PolarHBondContact O-N 2.84Å; M441-V445 VanDerWaalsContact O-N 3.1Å |
| 442 | R | 86.6 | Confident | 84.7 | Confident | 10 Ų | 10 | 43 Ų | 43 | 4% | 0.038 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 178.9 | -172.9 | 169.8 | -174 | -152.2 | -4.9 | 112.7 | F365 S368 Y369 D371 A438 L439 S444 V445 L446 | F365-R442 HydrophobicContact CE2-CB 4.32Å; F365-R442 HydrophobicContact CZ-CB 4.03Å; S368-R442 PolarHBondContact O-NH1 3.26Å; S368-R442 PolarHBondContact O-NH2 2.69Å; S368-R442 PolarHBondContact OG-NH1 2.95Å; Y369-R442 HydrophobicContact CD2-CB 4.39Å; Y369-R442 HydrophobicContact CE2-CB 3.87Å; Y369-R442 HydrophobicContact CE2-CG 4.49Å; Y369-R442 PolarHBondContact O-NE 3.17Å; D371-R442 PolarHBondContact O-NH2 3.4Å; A438-R442 PolarHBondContact O-N 3.32Å; A438-R442 VanDerWaalsContact O-N 3.16Å; L439-R442 PolarHBondContact O-N 2.7Å; R442-S444 PolarHBondContact O-N 2.82Å; R442-V445 PolarHBondContact O-N 3.01Å; R442-L446 HydrophobicContact CG-CD1 3.79Å; R442-L446 HydrophobicContact CG-CG 4.3Å; R442-L446 PolarHBondContact O-N 3.32Å |
| 443 | T | 85.7 | Confident | 85.1 | Confident | 53 Ų | 53 | 43.2 Ų | 43.2 | 33% | 0.325 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -55.5 | -39.3 | 172.5 | -49.6 | 0 | 0 | 0 | 0 | 111.2 | H386 L439 D440 M441 R447 | H386-T443 PolarHBondContact NE2-N 2.93Å; H386-T443 PolarHBondContact NE2-OG1 3.25Å; L439-T443 PolarHBondContact O-N 3.48Å; L439-T443 PolarHBondContact O-OG1 3.24Å; D440-T443 PolarHBondContact O-N 3.03Å; M441-T443 PolarHBondContact O-N 3.19Å; T443-R447 WeakPolarHBondContact O-CB 3.49Å; T443-R447 PolarHBondContact O-N 3.46Å |
| 444 | S | 85 | Confident | 85.5 | Confident | 55 Ų | 55 | 39.9 Ų | 39.9 | 39% | 0.385 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -69.4 | -41 | -179.8 | -57 | 0 | 0 | 0 | 0 | 112.8 | D440 M441 R442 L448 | D440-S444 PolarHBondContact O-N 3.23Å; D440-S444 VanDerWaalsContact O-N 3.11Å; D440-S444 PolarHBondContact O-OG 2.87Å; M441-S444 WeakPolarHBondContact O-CB 3.38Å; M441-S444 PolarHBondContact O-N 3.45Å; M441-S444 VanDerWaalsContact O-N 3.13Å; R442-S444 PolarHBondContact O-N 2.82Å; S444-L448 WeakPolarHBondContact O-CB 3.35Å; S444-L448 PolarHBondContact O-N 3.24Å |
| 445 | V | 85.9 | Confident | 86 | Confident | 17 Ų | 17 | 38.6 Ų | 38.6 | 10% | 0.103 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -47.6 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.6 | I372 M441 R442 R447 L448 S449 L511 L515 | I372-V445 HydrophobicContact CG2-CG1 3.7Å; M441-V445 PolarHBondContact O-N 2.84Å; M441-V445 VanDerWaalsContact O-N 3.1Å; R442-V445 PolarHBondContact O-N 3.01Å; V445-R447 PolarHBondContact O-N 3.42Å; V445-L448 WeakPolarHBondContact O-CB 3.39Å; V445-L448 PolarHBondContact O-N 2.96Å; V445-L448 VanDerWaalsContact O-N 3.12Å; V445-S449 PolarHBondContact O-N 2.89Å; V445-L511 HydrophobicContact CG1-CD1 4.15Å; V445-L515 HydrophobicContact CG1-CD2 4.08Å |
| 446 | L | 86.4 | Confident | 86.3 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.6 | -43.9 | -176.8 | -73.2 | 166.1 | 0 | 0 | 0 | 112.5 | I372 A382 Q383 H386 R442 L448 S449 L450 | I372-L446 HydrophobicContact CB-CD2 4.47Å; I372-L446 HydrophobicContact CG2-CD2 4.5Å; A382-L446 HydrophobicContact CB-CD2 3.63Å; Q383-L446 HydrophobicContact CB-CB 4.27Å; Q383-L446 HydrophobicContact CG-CB 4.49Å; H386-L446 HydrophobicContact CB-CD1 3.44Å; H386-L446 VanDerWaalsContact CB-CD1 3.44Å; R442-L446 HydrophobicContact CG-CD1 3.79Å; R442-L446 HydrophobicContact CG-CG 4.3Å; R442-L446 PolarHBondContact O-N 3.32Å; L446-L448 PolarHBondContact O-N 2.66Å; L446-S449 WeakPolarHBondContact O-CB 3.42Å; L446-S449 PolarHBondContact O-N 2.93Å; L446-L450 PolarHBondContact O-N 3.43Å |
| 447 | R | 88 | Confident | 86.4 | Confident | 119 Ų | 119 | 41.6 Ų | 41.6 | 45% | 0.449 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.7 | -34.6 | 174.7 | -170.5 | -169.3 | 62.6 | 66.1 | 9.9 | 112.2 | T443 V445 Q451 | T443-R447 WeakPolarHBondContact O-CB 3.49Å; T443-R447 PolarHBondContact O-N 3.46Å; V445-R447 PolarHBondContact O-N 3.42Å; R447-Q451 WeakPolarHBondContact O-CG 3.37Å; R447-Q451 PolarHBondContact O-N 2.98Å |
| 448 | L | 88.6 | Confident | 86.7 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 11% | 0.11 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -78.2 | -36.8 | -179.3 | -170.4 | 59.1 | 0 | 0 | 0 | 112.2 | S444 V445 L446 L450 Q451 F452 D507 A510 L511 | S444-L448 WeakPolarHBondContact O-CB 3.35Å; S444-L448 PolarHBondContact O-N 3.24Å; V445-L448 WeakPolarHBondContact O-CB 3.39Å; V445-L448 PolarHBondContact O-N 2.96Å; V445-L448 VanDerWaalsContact O-N 3.12Å; L446-L448 PolarHBondContact O-N 2.66Å; L448-L450 VanDerWaalsContact C-N 3.34Å; L448-L450 PolarHBondContact O-N 3.32Å; L448-Q451 PolarHBondContact O-N 3.34Å; L448-F452 PolarHBondContact O-N 3.43Å; L448-F452 VanDerWaalsContact O-N 3.11Å; L448-D507 HydrophobicContact CD1-CB 4.39Å; L448-A510 HydrophobicContact CD1-CB 4.41Å; L448-A510 HydrophobicContact CD2-CB 3.82Å; L448-L511 HydrophobicContact CB-CD1 4.47Å; L448-L511 HydrophobicContact CD2-CB 4.25Å; L448-L511 HydrophobicContact CG-CB 4.16Å |
| 449 | S | 88.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.3 | -49.9 | 169.8 | -172.6 | 0 | 0 | 0 | 0 | 111.5 | I372 A379 V445 L446 Q451 F452 Y453 | I372-S449 PolarHBondContact O-OG 3.37Å; A379-S449 WeakPolarHBondContact CB-OG 3.32Å; V445-S449 PolarHBondContact O-N 2.89Å; L446-S449 WeakPolarHBondContact O-CB 3.42Å; L446-S449 PolarHBondContact O-N 2.93Å; S449-Q451 PolarHBondContact O-N 3.48Å; S449-F452 PolarHBondContact O-N 3.11Å; S449-Y453 WeakPolarHBondContact O-CD2 3.4Å; S449-Y453 PolarHBondContact O-N 2.98Å; S449-Y453 WeakPolarHBondContact OG-CE2 3.28Å |
| 450 | L | 88.2 | Confident | 87.2 | Confident | 48 Ų | 48 | 44.2 Ų | 44.2 | 25% | 0.251 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -60.4 | -41.4 | 179.6 | -174.6 | 65.8 | 0 | 0 | 0 | 113.2 | Q376 A379 T380 L446 L448 C454 | Q376-L450 HydrophobicContact CG-CD1 4.37Å; A379-L450 HydrophobicContact CB-CB 4.45Å; A379-L450 HydrophobicContact CB-CD1 4.46Å; T380-L450 WeakPolarHBondContact OG1-CD1 3.1Å; L446-L450 PolarHBondContact O-N 3.43Å; L448-L450 VanDerWaalsContact C-N 3.34Å; L448-L450 PolarHBondContact O-N 3.32Å; L450-C454 WeakPolarHBondContact O-CB 3.44Å; L450-C454 PolarHBondContact O-N 2.97Å |
| 451 | Q | 89.8 | Confident | 87.3 | Confident | 79 Ų | 79 | 44.9 Ų | 44.9 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.5 | -43 | -179.1 | -67.8 | -177.4 | -57.6 | 0 | 0 | 111.9 | R447 L448 S449 C454 K455 D507 | R447-Q451 WeakPolarHBondContact O-CG 3.37Å; R447-Q451 PolarHBondContact O-N 2.98Å; L448-Q451 PolarHBondContact O-N 3.34Å; S449-Q451 PolarHBondContact O-N 3.48Å; Q451-C454 PolarHBondContact O-N 3.23Å; Q451-K455 WeakPolarHBondContact O-CG 3.42Å; Q451-K455 PolarHBondContact O-N 3.14Å; Q451-D507 WeakPolarHBondContact CB-OD2 3.15Å |
| 452 | F | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.8 | -55.5 | 177.4 | 170.2 | -114.1 | 0 | 0 | 0 | 112.8 | L448 S449 C454 K455 T456 A504 D507 L511 V564 T567 M568 | L448-F452 PolarHBondContact O-N 3.43Å; L448-F452 VanDerWaalsContact O-N 3.11Å; S449-F452 PolarHBondContact O-N 3.11Å; F452-C454 VanDerWaalsContact C-N 3.34Å; F452-C454 PolarHBondContact O-N 3.49Å; F452-K455 PolarHBondContact O-N 2.97Å; F452-T456 WeakPolarHBondContact O-CB 3.43Å; F452-T456 PolarHBondContact O-N 3.19Å; F452-T456 PolarHBondContact O-OG1 3.1Å; F452-A504 WeakPolarHBondContact CD2-O 3.47Å; F452-D507 HydrophobicContact CB-CB 4.04Å; F452-L511 HydrophobicContact CB-CD2 4.09Å; F452-L511 HydrophobicContact CD1-CD2 3.94Å; F452-L511 HydrophobicContact CG-CD2 4.2Å; F452-V564 HydrophobicContact CD1-CG1 4.38Å; F452-V564 HydrophobicContact CD1-CG2 4.27Å; F452-V564 HydrophobicContact CE1-CB 4.16Å; F452-V564 HydrophobicContact CE1-CG1 3.88Å; F452-V564 HydrophobicContact CE1-CG2 3.99Å; F452-V564 HydrophobicContact CZ-CG1 3.94Å; F452-T567 HydrophobicContact CZ-CG2 4.19Å; F452-M568 HydrophobicContact CE2-CG 3.89Å; F452-M568 HydrophobicContact CZ-CG 4.01Å |
| 453 | Y | 89 | Confident | 87.6 | Confident | 15 Ų | 15 | 42.4 Ų | 42.4 | 6% | 0.059 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.6 | -36.4 | -177.1 | -67.3 | -62.8 | 0 | 0 | 0 | 112.5 | G373 A379 S449 N457 | G373-Y453 WeakPolarHBondContact O-CE2 3.33Å; G373-Y453 PolarHBondContact O-OH 2.73Å; A379-Y453 HydrophobicContact CB-CD2 4.27Å; S449-Y453 WeakPolarHBondContact O-CD2 3.4Å; S449-Y453 PolarHBondContact O-N 2.98Å; S449-Y453 WeakPolarHBondContact OG-CE2 3.28Å; Y453-N457 WeakPolarHBondContact O-CB 3.47Å; Y453-N457 PolarHBondContact O-N 3.26Å |
| 454 | C | 88.7 | Confident | 87.5 | Confident | 38 Ų | 38 | 48 Ų | 48 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -62.3 | -47.1 | 178.6 | -174.4 | 0 | 0 | 0 | 0 | 112.2 | L450 Q451 F452 N457 Q458 | L450-C454 WeakPolarHBondContact O-CB 3.44Å; L450-C454 PolarHBondContact O-N 2.97Å; Q451-C454 PolarHBondContact O-N 3.23Å; F452-C454 VanDerWaalsContact C-N 3.34Å; F452-C454 PolarHBondContact O-N 3.49Å; C454-N457 PolarHBondContact O-N 3.18Å; C454-Q458 WeakPolarHBondContact O-CG 3.5Å; C454-Q458 PolarHBondContact O-N 2.97Å; C454-Q458 PolarHBondContact SG-NE2 2.74Å |
| 455 | K | 89.5 | Confident | 87.5 | Confident | 34 Ų | 34 | 50.1 Ų | 50.1 | 15% | 0.148 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -68 | -42.8 | 177.8 | -71 | 165.5 | 163.7 | -174.6 | 0 | 112.5 | Q451 F452 N457 Q458 Y459 E503 A504 D507 | Q451-K455 WeakPolarHBondContact O-CG 3.42Å; Q451-K455 PolarHBondContact O-N 3.14Å; F452-K455 PolarHBondContact O-N 2.97Å; K455-N457 VanDerWaalsContact C-N 3.27Å; K455-N457 PolarHBondContact O-N 3.06Å; K455-Q458 PolarHBondContact O-N 3.28Å; K455-Q458 VanDerWaalsContact O-N 3.16Å; K455-Y459 PolarHBondContact O-N 2.78Å; K455-E503 HydrophobicContact CD-CB 3.97Å; K455-E503 WeakPolarHBondContact CD-O 3.14Å; K455-E503 VanDerWaalsContact CE-OE2 3.25Å; K455-E503 WeakPolarHBondContact CE-OE2 3.49Å; K455-E503 PolarHBondContact NZ-O 3.05Å; K455-E503 IonicContact NZ-OE2 2.69Å; K455-A504 HydrophobicContact CB-CB 4.07Å; K455-D507 VanDerWaalsContact CD-OD2 3.31Å; K455-D507 WeakPolarHBondContact CD-OD2 3.48Å; K455-D507 VanDerWaalsContact CE-OD2 3.32Å; K455-D507 WeakPolarHBondContact CE-OD2 3.44Å; K455-D507 IonicContact NZ-OD1 3.47Å; K455-D507 PolarHBondContact NZ-OD1 3.43Å; K455-D507 IonicContact NZ-OD2 2.68Å; K455-D507 PolarHBondContact NZ-OD2 2.85Å |
| 456 | T | 88.4 | Confident | 87.6 | Confident | 12 Ų | 12 | 50.1 Ų | 50.1 | 7% | 0.074 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.3 | -47 | 173.7 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | F452 Q458 Y459 M460 T567 I571 | F452-T456 WeakPolarHBondContact O-CB 3.43Å; F452-T456 PolarHBondContact O-N 3.19Å; F452-T456 PolarHBondContact O-OG1 3.1Å; T456-Q458 PolarHBondContact O-N 3.3Å; T456-Y459 PolarHBondContact O-N 2.66Å; T456-M460 HydrophobicContact CG2-CG 4.35Å; T456-M460 WeakPolarHBondContact O-CB 3.39Å; T456-M460 WeakPolarHBondContact O-CG 3.47Å; T456-M460 PolarHBondContact O-N 3.29Å; T456-T567 HydrophobicContact CG2-CG2 3.53Å; T456-I571 HydrophobicContact CG2-CD1 4.05Å |
| 457 | N | 85.3 | Confident | 87.5 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 45% | 0.449 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 179.9 | -161.5 | 6.1 | 0 | 0 | 0 | 112.1 | Q376 Y453 C454 K455 M460 T461 | Q376-N457 PolarHBondContact OE1-ND2 3.45Å; Y453-N457 WeakPolarHBondContact O-CB 3.47Å; Y453-N457 PolarHBondContact O-N 3.26Å; C454-N457 PolarHBondContact O-N 3.18Å; K455-N457 VanDerWaalsContact C-N 3.27Å; K455-N457 PolarHBondContact O-N 3.06Å; N457-M460 PolarHBondContact O-N 3.46Å; N457-T461 WeakPolarHBondContact O-CG2 3.42Å; N457-T461 PolarHBondContact O-N 3.4Å; N457-T461 PolarHBondContact O-OG1 3.27Å |
| 458 | Q | 86 | Confident | 87.2 | Confident | 87 Ų | 87 | 49.5 Ų | 49.5 | 41% | 0.407 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.5 | -39.9 | 175.8 | -68.1 | 173.6 | 43.4 | 0 | 0 | 113.1 | C454 K455 T456 T461 N462 | C454-Q458 WeakPolarHBondContact O-CG 3.5Å; C454-Q458 PolarHBondContact O-N 2.97Å; C454-Q458 PolarHBondContact SG-NE2 2.74Å; K455-Q458 PolarHBondContact O-N 3.28Å; K455-Q458 VanDerWaalsContact O-N 3.16Å; T456-Q458 PolarHBondContact O-N 3.3Å; Q458-T461 WeakPolarHBondContact CA-OG1 3.31Å; Q458-T461 PolarHBondContact O-OG1 3.1Å; Q458-T461 VanDerWaalsContact O-OG1 3.08Å; Q458-N462 PolarHBondContact O-N 3.33Å; Q458-N462 PolarHBondContact O-ND2 3.41Å |
| 459 | Y | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.2 | -48.9 | 174.5 | -178 | -88.2 | 0 | 0 | 0 | 111.2 | K455 T456 T461 N462 I463 W466 V497 L500 Y501 I571 Q575 | K455-Y459 PolarHBondContact O-N 2.78Å; T456-Y459 PolarHBondContact O-N 2.66Å; Y459-T461 VanDerWaalsContact C-N 3.28Å; Y459-T461 PolarHBondContact O-N 2.95Å; Y459-N462 PolarHBondContact O-N 2.98Å; Y459-I463 HydrophobicContact CE1-CD1 4.24Å; Y459-I463 PolarHBondContact O-N 3.32Å; Y459-W466 HydrophobicContact CD2-CH2 4.1Å; Y459-W466 AromaticContact CD2-CZ3 3.76Å; Y459-W466 HydrophobicContact CD2-CZ3 3.76Å; Y459-W466 HydrophobicContact CE2-CH2 4.47Å; Y459-W466 AromaticContact CE2-CZ3 3.8Å; Y459-W466 HydrophobicContact CE2-CZ3 3.8Å; Y459-W466 HydrophobicContact CG-CZ3 4.36Å; Y459-V497 HydrophobicContact CE2-CG1 3.98Å; Y459-L500 HydrophobicContact CD2-CB 4.17Å; Y459-Y501 HydrophobicContact CE2-CD2 4.21Å; Y459-I571 HydrophobicContact CD1-CG1 4.46Å; Y459-I571 HydrophobicContact CD1-CG2 4.03Å; Y459-I571 HydrophobicContact CE1-CG2 3.87Å; Y459-Q575 VanDerWaalsContact OH-CA 3.26Å; Y459-Q575 WeakPolarHBondContact OH-CA 3.44Å; Y459-Q575 WeakPolarHBondContact OH-CB 3.3Å; Y459-Q575 PolarHBondContact OH-N 3.21Å; Y459-Q575 PolarHBondContact OH-OE1 3.25Å |
| 460 | M | 84.6 | Confident | 86.6 | Confident | 72 Ų | 72 | 54 Ų | 54 | 36% | 0.355 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.5 | -27.9 | -177.1 | -69.3 | -78.6 | -74.2 | 0 | 0 | 113.7 | T456 N457 Y574 | T456-M460 HydrophobicContact CG2-CG 4.35Å; T456-M460 WeakPolarHBondContact O-CB 3.39Å; T456-M460 WeakPolarHBondContact O-CG 3.47Å; T456-M460 PolarHBondContact O-N 3.29Å; N457-M460 PolarHBondContact O-N 3.46Å; M460-Y574 HydrophobicContact CE-CD2 4.47Å; M460-Y574 HydrophobicContact CE-CE2 3.91Å; M460-Y574 HydrophobicContact SD-CD2 3.73Å; M460-Y574 HydrophobicContact SD-CE2 3.76Å |
| 461 | T | 85.6 | Confident | 85.7 | Confident | 90 Ų | 90 | 55.4 Ų | 55.4 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -78.1 | -35.2 | 176.9 | 41.8 | 0 | 0 | 0 | 0 | 113.3 | N457 Q458 Y459 | N457-T461 WeakPolarHBondContact O-CG2 3.42Å; N457-T461 PolarHBondContact O-N 3.4Å; N457-T461 PolarHBondContact O-OG1 3.27Å; Q458-T461 WeakPolarHBondContact CA-OG1 3.31Å; Q458-T461 PolarHBondContact O-OG1 3.1Å; Q458-T461 VanDerWaalsContact O-OG1 3.08Å; Y459-T461 VanDerWaalsContact C-N 3.28Å; Y459-T461 PolarHBondContact O-N 2.95Å |
| 462 | N | 86.1 | Confident | 84.7 | Confident | 59 Ų | 59 | 55.4 Ų | 55.4 | 32% | 0.316 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -82.5 | -24.6 | -175 | -74.8 | -50.3 | 0 | 0 | 0 | 114.6 | Q458 Y459 K464 N465 W466 | Q458-N462 PolarHBondContact O-N 3.33Å; Q458-N462 PolarHBondContact O-ND2 3.41Å; Y459-N462 PolarHBondContact O-N 2.98Å; N462-K464 VanDerWaalsContact C-N 3.28Å; N462-K464 PolarHBondContact O-N 3.21Å; N462-K464 VanDerWaalsContact O-N 3.07Å; N462-N465 WeakPolarHBondContact O-CB 3.22Å; N462-N465 PolarHBondContact O-N 3.32Å; N462-W466 HydrophobicContact CB-CD2 4.05Å; N462-W466 HydrophobicContact CB-CE3 4.24Å; N462-W466 HydrophobicContact CB-CH2 3.69Å; N462-W466 HydrophobicContact CB-CZ2 3.47Å; N462-W466 VanDerWaalsContact CB-CZ2 3.47Å; N462-W466 HydrophobicContact CB-CZ3 4.06Å; N462-W466 PolarHBondContact O-N 2.93Å |
| 463 | I | 88 | Confident | 83.1 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.036 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -56.5 | -33.4 | -166.6 | -168.4 | 165.4 | 0 | 0 | 0 | 115.8 | Y459 N465 W466 L467 Y574 | Y459-I463 HydrophobicContact CE1-CD1 4.24Å; Y459-I463 PolarHBondContact O-N 3.32Å; I463-N465 VanDerWaalsContact C-N 3.27Å; I463-N465 PolarHBondContact O-N 3.41Å; I463-W466 HydrophobicContact CB-CE3 4.22Å; I463-W466 HydrophobicContact CG1-CE3 4.46Å; I463-W466 PolarHBondContact O-N 2.9Å; I463-L467 HydrophobicContact CG1-CD1 4.19Å; I463-L467 HydrophobicContact CG1-CG 4.45Å; I463-L467 WeakPolarHBondContact O-CB 3.29Å; I463-L467 PolarHBondContact O-N 3.33Å; I463-Y574 VanDerWaalsContact CD1-CB 3.43Å; I463-Y574 HydrophobicContact CD1-CD1 3.71Å; I463-Y574 HydrophobicContact CD1-CG 3.73Å |
| 464 | K | 82.9 | Confident | 81.8 | Confident | 170 Ų | 170 | 67.4 Ų | 67.4 | 74% | 0.739 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -64.4 | -33.7 | 177.9 | -68 | -179.2 | 179.8 | 177.7 | 0 | 112.3 | N462 A468 | N462-K464 VanDerWaalsContact C-N 3.28Å; N462-K464 PolarHBondContact O-N 3.21Å; N462-K464 VanDerWaalsContact O-N 3.07Å; K464-A468 WeakPolarHBondContact O-CB 3.37Å; K464-A468 PolarHBondContact O-N 3.32Å; K464-A468 VanDerWaalsContact O-N 3.15Å |
| 465 | N | 85.3 | Confident | 80.6 | Confident | 100 Ų | 100 | 74.2 Ų | 74.2 | 54% | 0.535 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -73.7 | -42.6 | 177.2 | -62.8 | -22.2 | 0 | 0 | 0 | 110.5 | N462 I463 A468 Q469 | N462-N465 WeakPolarHBondContact O-CB 3.22Å; N462-N465 PolarHBondContact O-N 3.32Å; I463-N465 VanDerWaalsContact C-N 3.27Å; I463-N465 PolarHBondContact O-N 3.41Å; N465-A468 PolarHBondContact O-N 3.38Å; N465-Q469 WeakPolarHBondContact O-CG 3.3Å; N465-Q469 PolarHBondContact O-N 2.83Å |
| 466 | W | 88.8 | Confident | 79.8 | Confident | 18 Ų | 18 | 74.1 Ų | 74.1 | 7% | 0.068 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 176.3 | -58.6 | -33.5 | 0 | 0 | 0 | 112.1 | Y459 N462 I463 A468 Q469 C470 L493 V497 L500 L578 | Y459-W466 HydrophobicContact CD2-CH2 4.1Å; Y459-W466 AromaticContact CD2-CZ3 3.76Å; Y459-W466 HydrophobicContact CD2-CZ3 3.76Å; Y459-W466 HydrophobicContact CE2-CH2 4.47Å; Y459-W466 AromaticContact CE2-CZ3 3.8Å; Y459-W466 HydrophobicContact CE2-CZ3 3.8Å; Y459-W466 HydrophobicContact CG-CZ3 4.36Å; N462-W466 HydrophobicContact CB-CD2 4.05Å; N462-W466 HydrophobicContact CB-CE3 4.24Å; N462-W466 HydrophobicContact CB-CH2 3.69Å; N462-W466 HydrophobicContact CB-CZ2 3.47Å; N462-W466 VanDerWaalsContact CB-CZ2 3.47Å; N462-W466 HydrophobicContact CB-CZ3 4.06Å; N462-W466 PolarHBondContact O-N 2.93Å; I463-W466 HydrophobicContact CB-CE3 4.22Å; I463-W466 HydrophobicContact CG1-CE3 4.46Å; I463-W466 PolarHBondContact O-N 2.9Å; W466-A468 VanDerWaalsContact C-N 3.32Å; W466-A468 PolarHBondContact O-N 3.4Å; W466-Q469 PolarHBondContact O-N 2.85Å; W466-C470 PolarHBondContact O-N 2.9Å; W466-L493 HydrophobicContact CB-CD1 4.36Å; W466-L493 VanDerWaalsContact CD1-CD1 3.48Å; W466-L493 HydrophobicContact CG-CD1 4.14Å; W466-V497 HydrophobicContact CB-CG2 4.37Å; W466-V497 HydrophobicContact CD2-CG2 3.55Å; W466-V497 HydrophobicContact CE3-CB 4.4Å; W466-V497 HydrophobicContact CE3-CG1 4.13Å; W466-V497 HydrophobicContact CE3-CG2 3.72Å; W466-V497 HydrophobicContact CG-CG2 3.87Å; W466-V497 HydrophobicContact CH2-CG2 4.43Å; W466-V497 HydrophobicContact CZ2-CG2 4.27Å; W466-V497 HydrophobicContact CZ3-CB 4.43Å; W466-V497 HydrophobicContact CZ3-CG1 4.07Å; W466-V497 HydrophobicContact CZ3-CG2 4.18Å; W466-L500 HydrophobicContact CH2-CB 4.41Å; W466-L500 HydrophobicContact CH2-CD1 3.73Å; W466-L500 HydrophobicContact CZ2-CD1 3.85Å; W466-L578 VanDerWaalsContact C-CD1 3.43Å; W466-L578 HydrophobicContact CB-CD1 3.63Å; W466-L578 HydrophobicContact CB-CD2 3.94Å; W466-L578 HydrophobicContact CB-CG 4.47Å; W466-L578 HydrophobicContact CE3-CD2 4.41Å |
| 467 | L | 84 | Confident | 79.3 | Confident | 50 Ų | 50 | 74.9 Ų | 74.9 | 26% | 0.262 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 175.1 | -86.6 | 167.9 | 0 | 0 | 0 | 111.7 | I463 C470 S471 L578 | I463-L467 HydrophobicContact CG1-CD1 4.19Å; I463-L467 HydrophobicContact CG1-CG 4.45Å; I463-L467 WeakPolarHBondContact O-CB 3.29Å; I463-L467 PolarHBondContact O-N 3.33Å; L467-C470 PolarHBondContact O-N 3.3Å; L467-S471 WeakPolarHBondContact O-CB 3.44Å; L467-S471 PolarHBondContact O-N 2.98Å; L467-S471 VanDerWaalsContact O-N 3.15Å; L467-S471 PolarHBondContact O-OG 3.49Å; L467-L578 HydrophobicContact CB-CD1 4.24Å; L467-L578 HydrophobicContact CD2-CD1 3.9Å; L467-L578 HydrophobicContact CG-CD1 3.72Å; L467-L578 VanDerWaalsContact N-CD1 3.34Å |
| 468 | A | 80.3 | Confident | 78.8 | Confident | 55 Ų | 55 | 74.9 Ų | 74.9 | 46% | 0.455 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -63.7 | -38.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K464 N465 W466 S471 V472 | K464-A468 WeakPolarHBondContact O-CB 3.37Å; K464-A468 PolarHBondContact O-N 3.32Å; K464-A468 VanDerWaalsContact O-N 3.15Å; N465-A468 PolarHBondContact O-N 3.38Å; W466-A468 VanDerWaalsContact C-N 3.32Å; W466-A468 PolarHBondContact O-N 3.4Å; A468-S471 PolarHBondContact O-N 3.45Å; A468-S471 PolarHBondContact O-OG 2.9Å; A468-V472 WeakPolarHBondContact O-CG2 3.4Å; A468-V472 PolarHBondContact O-N 3.38Å |
| 469 | Q | 82 | Confident | 78.5 | Confident | 111 Ų | 111 | 75 Ų | 75 | 52% | 0.519 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 177.4 | -74.3 | 170.6 | -31.1 | 0 | 0 | 112.7 | N465 W466 S471 L493 | N465-Q469 WeakPolarHBondContact O-CG 3.3Å; N465-Q469 PolarHBondContact O-N 2.83Å; W466-Q469 PolarHBondContact O-N 2.85Å; Q469-S471 VanDerWaalsContact C-N 3.29Å; Q469-S471 PolarHBondContact O-N 2.99Å; Q469-L493 HydrophobicContact CB-CD2 3.8Å |
| 470 | C | 83.2 | Confident | 78 | Confident | 6 Ų | 6 | 76.4 Ų | 76.4 | 4% | 0.041 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -68.1 | -26.7 | 175.1 | -69.7 | 0 | 0 | 0 | 0 | 113.3 | W466 L467 A581 | W466-C470 PolarHBondContact O-N 2.9Å; L467-C470 PolarHBondContact O-N 3.3Å; C470-A581 HydrophobicContact CB-CB 3.8Å |
| 471 | S | 69.1 | Low | 77.8 | Confident | 77 Ų | 77 | 75.1 Ų | 75.1 | 54% | 0.538 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101 | 11 | -173.4 | 56.3 | 0 | 0 | 0 | 0 | 115.3 | L467 A468 Q469 E473 | L467-S471 WeakPolarHBondContact O-CB 3.44Å; L467-S471 PolarHBondContact O-N 2.98Å; L467-S471 VanDerWaalsContact O-N 3.15Å; L467-S471 PolarHBondContact O-OG 3.49Å; A468-S471 PolarHBondContact O-N 3.45Å; A468-S471 PolarHBondContact O-OG 2.9Å; Q469-S471 VanDerWaalsContact C-N 3.29Å; Q469-S471 PolarHBondContact O-N 2.99Å; S471-E473 PolarHBondContact O-N 3.46Å; S471-E473 VanDerWaalsContact O-N 3.09Å |
| 472 | V | 68.6 | Low | 77.5 | Confident | 79 Ų | 79 | 72.7 Ų | 72.7 | 48% | 0.479 | 42% | 0.418 | S | S | . | . | trans | -67.3 | 110.5 | 178.2 | -169.7 | 0 | 0 | 0 | 0 | 111.1 | A468 S474 R585 | A468-V472 WeakPolarHBondContact O-CG2 3.4Å; A468-V472 PolarHBondContact O-N 3.38Å; V472-S474 PolarHBondContact O-N 3.11Å; V472-R585 PolarHBondContact O-NH1 3.21Å; V472-R585 VanDerWaalsContact O-NH1 3.1Å | ||
| 473 | E | 58.7 | Low | 77.4 | Confident | 199 Ų | 199 | 69.9 Ų | 69.9 | 93% | 0.93 | 40% | 0.403 | S | S | * | . | trans | -72.5 | 38.5 | 171.8 | -62 | -169.4 | 128.8 | 0 | 0 | 113.2 | S471 | S471-E473 PolarHBondContact O-N 3.46Å; S471-E473 VanDerWaalsContact O-N 3.09Å | ||
| 474 | S | 62.1 | Low | 77.1 | Confident | 68 Ų | 68 | 74.6 Ų | 74.6 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | trans | -71.1 | 139.6 | 172 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | V472 R585 | V472-S474 PolarHBondContact O-N 3.11Å; S474-R585 PolarHBondContact O-NH1 3.45Å; S474-R585 PolarHBondContact O-NH2 2.58Å | ||
| 475 | E | 63.9 | Low | 77 | Confident | 181 Ų | 181 | 68.8 Ų | 68.8 | 85% | 0.846 | 41% | 0.409 | S | S | * | . | trans | -45.2 | 142.3 | 166.5 | -64.3 | -172.7 | 155.8 | 0 | 0 | 110.9 | ||||
| 476 | L | 72.9 | Confident | 76.9 | Confident | 32 Ų | 32 | 65.6 Ų | 65.6 | 17% | 0.168 | 39% | 0.394 | C | S | . | . | trans | -81.6 | 140.4 | 179.8 | -72.7 | 158.1 | 0 | 0 | 0 | 110 | A478 K588 L589 K592 W668 | L476-A478 PolarHBondContact O-N 2.77Å; L476-K588 HydrophobicContact CD1-CB 4.25Å; L476-L589 HydrophobicContact CD2-CD2 3.59Å; L476-L589 HydrophobicContact CD2-CG 4.04Å; L476-K592 HydrophobicContact CB-CG 4.49Å; L476-W668 HydrophobicContact CD1-CH2 3.98Å; L476-W668 HydrophobicContact CD1-CZ2 3.58Å | ||
| 477 | P | 78.4 | Confident | 76.7 | Confident | 28 Ų | 28 | 65.5 Ų | 65.5 | 18% | 0.182 | 40% | 0.395 | C | S | . | . | trans | -58.3 | 139.6 | -177.4 | -21.6 | 29.9 | 0 | 0 | 0 | 113.2 | T479 A482 L483 S486 | P477-T479 VanDerWaalsContact C-N 3.33Å; P477-T479 PolarHBondContact O-N 2.79Å; P477-A482 HydrophobicContact CB-CB 3.63Å; P477-A482 HydrophobicContact CG-CB 4.33Å; P477-L483 HydrophobicContact CB-CG 4.14Å; P477-L483 HydrophobicContact CG-CG 4.29Å; P477-L483 WeakPolarHBondContact O-CD1 3.11Å; P477-S486 WeakPolarHBondContact CG-OG 3.47Å | ||
| 478 | A | 74 | Confident | 76.6 | Confident | 83 Ų | 83 | 65.6 Ų | 65.6 | 69% | 0.686 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -83.4 | -3.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | L476 | L476-A478 PolarHBondContact O-N 2.77Š|
| 479 | T | 79.2 | Confident | 76.8 | Confident | 89 Ų | 89 | 69.5 Ų | 69.5 | 55% | 0.546 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -130.1 | 139 | -174.8 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | P477 G481 A482 L483 | P477-T479 VanDerWaalsContact C-N 3.33Å; P477-T479 PolarHBondContact O-N 2.79Å; T479-G481 PolarHBondContact O-N 3.2Å; T479-A482 PolarHBondContact O-N 3.07Å; T479-A482 WeakPolarHBondContact OG1-CB 3.16Å; T479-L483 PolarHBondContact O-N 3.42Å; T479-L483 VanDerWaalsContact O-N 3.1Å |
| 480 | V | 80.9 | Confident | 77.1 | Confident | 30 Ų | 30 | 65 Ų | 65 | 18% | 0.182 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -45 | -57.6 | -177.5 | 174.2 | 0 | 0 | 0 | 0 | 112.7 | A482 L483 E484 L593 L596 L597 | V480-A482 VanDerWaalsContact C-N 3.27Å; V480-A482 PolarHBondContact O-N 3.31Å; V480-L483 CarbonylContact O-C 2.9Å; V480-L483 WeakPolarHBondContact O-CA 3.3Å; V480-L483 VanDerWaalsContact O-CB 3.29Å; V480-L483 WeakPolarHBondContact O-CB 3.38Å; V480-L483 PolarHBondContact O-N 3.48Å; V480-E484 HydrophobicContact CG1-CG 4.33Å; V480-E484 WeakPolarHBondContact O-CG 3.23Å; V480-E484 PolarHBondContact O-N 2.84Å; V480-L593 HydrophobicContact CB-CD1 4.47Å; V480-L593 HydrophobicContact CG1-CD1 3.83Å; V480-L596 HydrophobicContact CG2-CB 3.82Å; V480-L596 HydrophobicContact CG2-CD1 4.31Å; V480-L597 HydrophobicContact CG1-CD2 4.21Å; V480-L597 HydrophobicContact CG2-CD2 4.34Å |
| 481 | G | 79.1 | Confident | 77.3 | Confident | 45 Ų | 45 | 69.3 Ų | 69.3 | 46% | 0.464 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.5 | -24.1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | T479 E484 A485 | T479-G481 PolarHBondContact O-N 3.2Å; G481-E484 WeakPolarHBondContact CA-OE2 3.4Å; G481-A485 WeakPolarHBondContact O-CB 3.43Å; G481-A485 PolarHBondContact O-N 3.01Å |
| 482 | A | 80.8 | Confident | 78.1 | Confident | 39 Ų | 39 | 71.2 Ų | 71.2 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -81.1 | -29.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | P477 T479 V480 S486 | P477-A482 HydrophobicContact CB-CB 3.63Å; P477-A482 HydrophobicContact CG-CB 4.33Å; T479-A482 PolarHBondContact O-N 3.07Å; T479-A482 WeakPolarHBondContact OG1-CB 3.16Å; V480-A482 VanDerWaalsContact C-N 3.27Å; V480-A482 PolarHBondContact O-N 3.31Å; A482-S486 WeakPolarHBondContact O-CB 3.38Å; A482-S486 PolarHBondContact O-N 2.97Å; A482-S486 PolarHBondContact O-OG 3Å |
| 483 | L | 83.5 | Confident | 79 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -69.6 | -44.5 | 170.8 | -106.1 | 155.4 | 0 | 0 | 0 | 111.7 | P477 T479 V480 A485 S486 I487 L589 K592 L596 | P477-L483 HydrophobicContact CB-CG 4.14Å; P477-L483 HydrophobicContact CG-CG 4.29Å; P477-L483 WeakPolarHBondContact O-CD1 3.11Å; T479-L483 PolarHBondContact O-N 3.42Å; T479-L483 VanDerWaalsContact O-N 3.1Å; V480-L483 CarbonylContact O-C 2.9Å; V480-L483 WeakPolarHBondContact O-CA 3.3Å; V480-L483 VanDerWaalsContact O-CB 3.29Å; V480-L483 WeakPolarHBondContact O-CB 3.38Å; V480-L483 PolarHBondContact O-N 3.48Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 2.73Å; L483-S486 PolarHBondContact O-N 2.71Å; L483-I487 VanDerWaalsContact O-CG1 3.31Å; L483-I487 WeakPolarHBondContact O-CG1 3.39Å; L483-I487 PolarHBondContact O-N 3.07Å; L483-L589 HydrophobicContact CD2-CB 4.26Å; L483-L589 HydrophobicContact CD2-CD2 3.7Å; L483-L589 VanDerWaalsContact CD2-O 3.3Å; L483-L589 WeakPolarHBondContact CD2-O 3.3Å; L483-K592 HydrophobicContact CD1-CB 4.02Å; L483-K592 HydrophobicContact CD1-CG 3.68Å; L483-K592 HydrophobicContact CD2-CB 4.27Å; L483-L596 HydrophobicContact CD1-CD1 3.7Å |
| 484 | E | 81 | Confident | 80.3 | Confident | 107 Ų | 107 | 62 Ų | 62 | 50% | 0.5 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59 | -42.9 | 173.5 | -68.7 | 174.2 | 143.9 | 0 | 0 | 111.5 | V480 G481 I487 S488 L593 | V480-E484 HydrophobicContact CG1-CG 4.33Å; V480-E484 WeakPolarHBondContact O-CG 3.23Å; V480-E484 PolarHBondContact O-N 2.84Å; G481-E484 WeakPolarHBondContact CA-OE2 3.4Å; E484-I487 PolarHBondContact O-N 3.49Å; E484-S488 PolarHBondContact O-N 3.26Å; E484-L593 HydrophobicContact CG-CD1 4.33Å |
| 485 | A | 80.4 | Confident | 81.3 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 40% | 0.397 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.3 | -48.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | G481 L483 I487 S488 E489 | G481-A485 WeakPolarHBondContact O-CB 3.43Å; G481-A485 PolarHBondContact O-N 3.01Å; L483-A485 VanDerWaalsContact C-N 3.33Å; L483-A485 PolarHBondContact O-N 2.73Å; A485-I487 VanDerWaalsContact C-N 3.29Å; A485-I487 PolarHBondContact O-N 2.99Å; A485-S488 PolarHBondContact O-N 3.07Å; A485-S488 VanDerWaalsContact O-N 3.11Å; A485-E489 PolarHBondContact O-N 2.66Å |
| 486 | S | 84.4 | Confident | 82.4 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 22% | 0.224 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.9 | -33.1 | 178.5 | -60.7 | 0 | 0 | 0 | 0 | 113 | P477 A482 L483 H490 | P477-S486 WeakPolarHBondContact CG-OG 3.47Å; A482-S486 WeakPolarHBondContact O-CB 3.38Å; A482-S486 PolarHBondContact O-N 2.97Å; A482-S486 PolarHBondContact O-OG 3Å; L483-S486 PolarHBondContact O-N 2.71Å; S486-H490 WeakPolarHBondContact O-CB 3.25Å; S486-H490 PolarHBondContact O-N 3.36Å |
| 487 | I | 85.1 | Confident | 83.1 | Confident | 17 Ų | 17 | 56.8 Ų | 56.8 | 9% | 0.087 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.8 | -46.3 | 172.7 | -71.2 | 164.3 | 0 | 0 | 0 | 110 | L483 E484 A485 E489 H490 E491 L589 L593 | L483-I487 VanDerWaalsContact O-CG1 3.31Å; L483-I487 WeakPolarHBondContact O-CG1 3.39Å; L483-I487 PolarHBondContact O-N 3.07Å; E484-I487 PolarHBondContact O-N 3.49Å; A485-I487 VanDerWaalsContact C-N 3.29Å; A485-I487 PolarHBondContact O-N 2.99Å; I487-E489 PolarHBondContact O-N 3.46Å; I487-H490 PolarHBondContact O-N 2.92Å; I487-E491 HydrophobicContact CG2-CG 4.48Å; I487-E491 WeakPolarHBondContact O-CG 3.39Å; I487-E491 PolarHBondContact O-N 3.07Å; I487-L589 HydrophobicContact CD1-CB 4.24Å; I487-L589 HydrophobicContact CG1-CB 3.73Å; I487-L589 HydrophobicContact CG1-CD1 4.17Å; I487-L589 HydrophobicContact CG1-CG 4.36Å; I487-L593 HydrophobicContact CD1-CD2 3.84Å |
| 488 | S | 80.8 | Confident | 83.5 | Confident | 52 Ų | 52 | 57.5 Ų | 57.5 | 36% | 0.364 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.8 | -36.9 | -179.5 | -167.4 | 0 | 0 | 0 | 0 | 113.3 | E484 A485 E491 Q492 | E484-S488 PolarHBondContact O-N 3.26Å; A485-S488 PolarHBondContact O-N 3.07Å; A485-S488 VanDerWaalsContact O-N 3.11Å; S488-E491 PolarHBondContact O-N 2.87Å; S488-Q492 VanDerWaalsContact O-CG 3.32Å; S488-Q492 WeakPolarHBondContact O-CG 3.48Å; S488-Q492 PolarHBondContact O-N 2.92Å; S488-Q492 PolarHBondContact O-NE2 3.32Å; S488-Q492 PolarHBondContact OG-NE2 3.41Å |
| 489 | E | 84.7 | Confident | 84.1 | Confident | 137 Ų | 137 | 59 Ų | 59 | 64% | 0.64 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62.8 | -43.1 | 172.1 | -71.6 | 177.3 | 173.7 | 0 | 0 | 111.5 | A485 I487 E491 Q492 L493 | A485-E489 PolarHBondContact O-N 2.66Å; I487-E489 PolarHBondContact O-N 3.46Å; E489-E491 VanDerWaalsContact C-N 3.35Å; E489-E491 PolarHBondContact O-N 2.88Å; E489-Q492 PolarHBondContact O-N 3.17Å; E489-L493 PolarHBondContact O-N 2.8Å; E489-L493 VanDerWaalsContact O-N 3.12Å |
| 490 | H | 89.1 | Confident | 84.5 | Confident | 15 Ų | 15 | 56.1 Ų | 56.1 | 7% | 0.069 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -68.7 | -30 | 178.6 | -164.1 | 68.1 | 0 | 0 | 0 | 112.9 | S486 I487 W582 L589 | S486-H490 WeakPolarHBondContact O-CB 3.25Å; S486-H490 PolarHBondContact O-N 3.36Å; I487-H490 PolarHBondContact O-N 2.92Å; H490-W582 AromaticContact CD2-CD1 3.6Å; H490-W582 AromaticContact CD2-CE2 3.97Å; H490-W582 AromaticContact CD2-NE1 3.27Å; H490-W582 PolarHBondContact CD2-NE1 2.94Å; H490-W582 VanDerWaalsContact CD2-NE1 3.27Å; H490-W582 AromaticContact CE1-CD1 3.36Å; H490-W582 AromaticContact CE1-NE1 3.85Å; H490-W582 AromaticContact CG-NE1 3.83Å; H490-W582 AromaticContact ND1-CD1 3.98Å; H490-W582 AromaticContact NE2-CD1 3.1Å; H490-W582 AromaticContact NE2-CE2 4Å; H490-W582 AromaticContact NE2-CG 3.62Å; H490-W582 AromaticContact NE2-NE1 3.3Å; H490-W582 PolarHBondContact NE2-NE1 3.28Å; H490-W582 PolarHBondContact NE2-O 2.79Å; H490-W582 PolarHBondContact O-NE1 3.45Å; H490-L589 HydrophobicContact CB-CD1 4.27Å |
| 491 | E | 87.2 | Confident | 84.9 | Confident | 97 Ų | 97 | 57.1 Ų | 57.1 | 45% | 0.453 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.2 | -43.6 | 172.3 | -72.8 | -176.2 | 150.8 | 0 | 0 | 112.5 | I487 S488 E489 L493 Y494 E495 | I487-E491 HydrophobicContact CG2-CG 4.48Å; I487-E491 WeakPolarHBondContact O-CG 3.39Å; I487-E491 PolarHBondContact O-N 3.07Å; S488-E491 PolarHBondContact O-N 2.87Å; E489-E491 VanDerWaalsContact C-N 3.35Å; E489-E491 PolarHBondContact O-N 2.88Å; E491-L493 VanDerWaalsContact C-N 3.3Å; E491-L493 PolarHBondContact O-N 2.94Å; E491-Y494 PolarHBondContact O-N 3.14Å; E491-Y494 VanDerWaalsContact O-N 3.08Å; E491-E495 PolarHBondContact O-N 3.09Å |
| 492 | Q | 86.2 | Confident | 85.2 | Confident | 118 Ų | 118 | 57.8 Ų | 57.8 | 55% | 0.551 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.6 | -37.7 | 177.8 | -74.7 | 172.5 | 56.3 | 0 | 0 | 112.4 | S488 E489 Y494 E495 S496 | S488-Q492 VanDerWaalsContact O-CG 3.32Å; S488-Q492 WeakPolarHBondContact O-CG 3.48Å; S488-Q492 PolarHBondContact O-N 2.92Å; S488-Q492 PolarHBondContact O-NE2 3.32Å; S488-Q492 PolarHBondContact OG-NE2 3.41Å; E489-Q492 PolarHBondContact O-N 3.17Å; Q492-Y494 VanDerWaalsContact C-N 3.27Å; Q492-Y494 PolarHBondContact O-N 3.4Å; Q492-E495 PolarHBondContact O-N 3.31Å; Q492-S496 PolarHBondContact O-N 3.21Å; Q492-S496 VanDerWaalsContact O-N 3.15Å |
| 493 | L | 86 | Confident | 85.5 | Confident | 26 Ų | 26 | 59 Ų | 59 | 14% | 0.136 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -54.2 | -44.3 | 172.1 | 174.9 | 57.7 | 0 | 0 | 0 | 111.6 | W466 Q469 E489 E491 V497 | W466-L493 HydrophobicContact CB-CD1 4.36Å; W466-L493 VanDerWaalsContact CD1-CD1 3.48Å; W466-L493 HydrophobicContact CG-CD1 4.14Å; Q469-L493 HydrophobicContact CB-CD2 3.8Å; E489-L493 PolarHBondContact O-N 2.8Å; E489-L493 VanDerWaalsContact O-N 3.12Å; E491-L493 VanDerWaalsContact C-N 3.3Å; E491-L493 PolarHBondContact O-N 2.94Å; L493-V497 VanDerWaalsContact O-CG2 3.24Å; L493-V497 WeakPolarHBondContact O-CG2 3.28Å; L493-V497 PolarHBondContact O-N 3.31Å |
| 494 | Y | 86.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 59 Ų | 59 | 22% | 0.224 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -74.8 | -38.7 | -178.5 | -169.5 | -93.7 | 0 | 0 | 0 | 113.4 | E491 Q492 S496 V497 S498 E579 W582 | E491-Y494 PolarHBondContact O-N 3.14Å; E491-Y494 VanDerWaalsContact O-N 3.08Å; Q492-Y494 VanDerWaalsContact C-N 3.27Å; Q492-Y494 PolarHBondContact O-N 3.4Å; Y494-S496 PolarHBondContact O-N 3.09Å; Y494-V497 PolarHBondContact O-N 3.15Å; Y494-S498 VanDerWaalsContact O-CB 3.27Å; Y494-S498 WeakPolarHBondContact O-CB 3.41Å; Y494-S498 PolarHBondContact O-N 2.79Å; Y494-E579 HydrophobicContact CE2-CG 3.93Å; Y494-E579 PolarHBondContact OH-OE1 2.69Å; Y494-W582 HydrophobicContact CD1-CH2 4.45Å; Y494-W582 HydrophobicContact CD1-CZ2 4.39Å; Y494-W582 HydrophobicContact CD2-CB 4.41Å; Y494-W582 AromaticContact CD2-CD2 3.6Å; Y494-W582 HydrophobicContact CD2-CD2 3.6Å; Y494-W582 AromaticContact CD2-CE2 3.85Å; Y494-W582 AromaticContact CD2-CE3 3.94Å; Y494-W582 HydrophobicContact CD2-CE3 3.94Å; Y494-W582 AromaticContact CD2-CG 3.79Å; Y494-W582 HydrophobicContact CD2-CG 3.79Å; Y494-W582 HydrophobicContact CD2-CZ2 4.36Å; Y494-W582 HydrophobicContact CD2-CZ3 4.43Å; Y494-W582 HydrophobicContact CE2-CD2 4.17Å; Y494-W582 HydrophobicContact CE2-CE3 4.06Å; Y494-W582 HydrophobicContact CE2-CZ3 4.47Å; Y494-W582 HydrophobicContact CG-CD2 4.05Å; Y494-W582 AromaticContact CG-CE2 3.79Å; Y494-W582 HydrophobicContact CG-CE3 4.45Å; Y494-W582 HydrophobicContact CG-CG 4.48Å; Y494-W582 HydrophobicContact CG-CH2 4.35Å; Y494-W582 AromaticContact CG-CZ2 3.97Å; Y494-W582 HydrophobicContact CG-CZ2 3.97Å |
| 495 | E | 84.1 | Confident | 86.1 | Confident | 116 Ų | 116 | 54.5 Ų | 54.5 | 54% | 0.542 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60 | -38.6 | 175.5 | -159.7 | 169.3 | -153 | 0 | 0 | 110.2 | E491 Q492 Q499 R2447 | E491-E495 PolarHBondContact O-N 3.09Å; Q492-E495 PolarHBondContact O-N 3.31Å; E495-Q499 PolarHBondContact O-N 3.47Å; E495-Q499 VanDerWaalsContact O-N 3.09Å; E495-R2447 IonicContact OE1-NH2 2.81Å; E495-R2447 PolarHBondContact OE1-NH2 3.38Å |
| 496 | S | 85.3 | Confident | 86.4 | Confident | 57 Ų | 57 | 56.7 Ų | 56.7 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 174.6 | -178.4 | 0 | 0 | 0 | 0 | 114 | Q492 Y494 L500 | Q492-S496 PolarHBondContact O-N 3.21Å; Q492-S496 VanDerWaalsContact O-N 3.15Å; Y494-S496 PolarHBondContact O-N 3.09Å; S496-L500 PolarHBondContact O-N 3.05Å |
| 497 | V | 88.2 | Confident | 86.6 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -63.7 | -50.9 | 175.8 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | Y459 W466 L493 Y494 Q499 L500 Y501 L578 | Y459-V497 HydrophobicContact CE2-CG1 3.98Å; W466-V497 HydrophobicContact CB-CG2 4.37Å; W466-V497 HydrophobicContact CD2-CG2 3.55Å; W466-V497 HydrophobicContact CE3-CB 4.4Å; W466-V497 HydrophobicContact CE3-CG1 4.13Å; W466-V497 HydrophobicContact CE3-CG2 3.72Å; W466-V497 HydrophobicContact CG-CG2 3.87Å; W466-V497 HydrophobicContact CH2-CG2 4.43Å; W466-V497 HydrophobicContact CZ2-CG2 4.27Å; W466-V497 HydrophobicContact CZ3-CB 4.43Å; W466-V497 HydrophobicContact CZ3-CG1 4.07Å; W466-V497 HydrophobicContact CZ3-CG2 4.18Å; L493-V497 VanDerWaalsContact O-CG2 3.24Å; L493-V497 WeakPolarHBondContact O-CG2 3.28Å; L493-V497 PolarHBondContact O-N 3.31Å; Y494-V497 PolarHBondContact O-N 3.15Å; V497-Q499 VanDerWaalsContact C-N 3.26Å; V497-Q499 PolarHBondContact O-N 2.83Å; V497-L500 PolarHBondContact O-N 2.97Å; V497-L500 VanDerWaalsContact O-N 3.17Å; V497-Y501 WeakPolarHBondContact O-CB 3.48Å; V497-Y501 PolarHBondContact O-N 3.19Å; V497-L578 HydrophobicContact CB-CD2 4.02Å; V497-L578 HydrophobicContact CG1-CD2 3.58Å; V497-L578 HydrophobicContact CG2-CD2 3.4Å; V497-L578 VanDerWaalsContact CG2-CD2 3.4Å |
| 498 | S | 86.9 | Confident | 86.6 | Confident | 42 Ų | 42 | 55.3 Ų | 55.3 | 29% | 0.294 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -60.9 | -36.2 | -174.1 | -172.7 | 0 | 0 | 0 | 0 | 111.5 | Y494 T502 | Y494-S498 VanDerWaalsContact O-CB 3.27Å; Y494-S498 WeakPolarHBondContact O-CB 3.41Å; Y494-S498 PolarHBondContact O-N 2.79Å; S498-T502 VanDerWaalsContact O-CB 3.25Å; S498-T502 WeakPolarHBondContact O-CB 3.28Å; S498-T502 PolarHBondContact O-N 3.48Å; S498-T502 PolarHBondContact O-OG1 2.75Å |
| 499 | Q | 86.6 | Confident | 86.8 | Confident | 116 Ų | 116 | 57.2 Ų | 57.2 | 54% | 0.542 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.6 | -55.9 | 173.5 | -177.8 | -180 | -11.8 | 0 | 0 | 111.3 | E495 V497 Y501 T502 E503 | E495-Q499 PolarHBondContact O-N 3.47Å; E495-Q499 VanDerWaalsContact O-N 3.09Å; V497-Q499 VanDerWaalsContact C-N 3.26Å; V497-Q499 PolarHBondContact O-N 2.83Å; Q499-Y501 VanDerWaalsContact C-N 3.33Å; Q499-Y501 PolarHBondContact O-N 3.08Å; Q499-T502 PolarHBondContact O-N 2.85Å; Q499-E503 HydrophobicContact CG-CG 4.43Å; Q499-E503 VanDerWaalsContact CG-OE1 3.3Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.34Å; Q499-E503 PolarHBondContact NE2-OE1 3.37Å; Q499-E503 WeakPolarHBondContact O-CB 3.4Å; Q499-E503 WeakPolarHBondContact O-CG 3.44Å; Q499-E503 PolarHBondContact O-N 2.87Å |
| 500 | L | 86.9 | Confident | 86.7 | Confident | 27 Ų | 27 | 52.8 Ų | 52.8 | 14% | 0.141 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.8 | -36.2 | -176.4 | -73.1 | 170.3 | 0 | 0 | 0 | 112.7 | Y459 W466 S496 V497 A504 | Y459-L500 HydrophobicContact CD2-CB 4.17Å; W466-L500 HydrophobicContact CH2-CB 4.41Å; W466-L500 HydrophobicContact CH2-CD1 3.73Å; W466-L500 HydrophobicContact CZ2-CD1 3.85Å; S496-L500 PolarHBondContact O-N 3.05Å; V497-L500 PolarHBondContact O-N 2.97Å; V497-L500 VanDerWaalsContact O-N 3.17Å; L500-A504 WeakPolarHBondContact O-CB 3.46Å; L500-A504 PolarHBondContact O-N 3.06Å; L500-A504 VanDerWaalsContact O-N 3.13Å |
| 501 | Y | 89.2 | Confident | 86.5 | Confident | 52 Ų | 52 | 52 Ų | 52 | 20% | 0.204 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.7 | -55.2 | 171.3 | 177.3 | -95.8 | 0 | 0 | 0 | 111.3 | Y459 V497 Q499 E503 A504 T505 I571 H572 Q575 | Y459-Y501 HydrophobicContact CE2-CD2 4.21Å; V497-Y501 WeakPolarHBondContact O-CB 3.48Å; V497-Y501 PolarHBondContact O-N 3.19Å; Q499-Y501 VanDerWaalsContact C-N 3.33Å; Q499-Y501 PolarHBondContact O-N 3.08Å; Y501-E503 VanDerWaalsContact C-N 3.32Å; Y501-E503 PolarHBondContact O-N 3Å; Y501-A504 PolarHBondContact O-N 3.41Å; Y501-T505 HydrophobicContact CE1-CG2 4.19Å; Y501-T505 HydrophobicContact CE2-CG2 4.22Å; Y501-T505 PolarHBondContact O-N 3.47Å; Y501-T505 PolarHBondContact O-OG1 2.92Å; Y501-T505 VanDerWaalsContact O-OG1 3.06Å; Y501-I571 HydrophobicContact CD2-CG2 3.56Å; Y501-I571 HydrophobicContact CE2-CG2 3.72Å; Y501-H572 AromaticContact CE2-CD2 3.97Å; Y501-H572 AromaticContact CZ-CD2 3.88Å; Y501-H572 PolarHBondContact OH-CD2 3.47Å; Y501-Q575 HydrophobicContact CD2-CB 3.68Å; Y501-Q575 HydrophobicContact CD2-CG 3.7Å; Y501-Q575 HydrophobicContact CE1-CG 4.47Å; Y501-Q575 HydrophobicContact CE2-CB 3.42Å; Y501-Q575 VanDerWaalsContact CE2-CB 3.42Å; Y501-Q575 HydrophobicContact CE2-CG 3.58Å; Y501-Q575 HydrophobicContact CG-CG 4.2Å |
| 502 | T | 86.2 | Confident | 86.2 | Confident | 58 Ų | 58 | 48 Ų | 48 | 36% | 0.356 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | -177.3 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | S498 Q499 T505 N506 | S498-T502 VanDerWaalsContact O-CB 3.25Å; S498-T502 WeakPolarHBondContact O-CB 3.28Å; S498-T502 PolarHBondContact O-N 3.48Å; S498-T502 PolarHBondContact O-OG1 2.75Å; Q499-T502 PolarHBondContact O-N 2.85Å; T502-T505 WeakPolarHBondContact CA-OG1 3.41Å; T502-T505 PolarHBondContact O-OG1 2.89Å; T502-N506 WeakPolarHBondContact O-CB 3.33Å; T502-N506 VanDerWaalsContact O-CG 3.22Å; T502-N506 PolarHBondContact O-N 2.82Å; T502-N506 PolarHBondContact O-ND2 3.4Å |
| 503 | E | 88.2 | Confident | 85.6 | Confident | 65 Ų | 65 | 49 Ų | 49 | 30% | 0.304 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 177.8 | -81.2 | -167.4 | -137.8 | 0 | 0 | 113.1 | K455 Q499 Y501 | K455-E503 HydrophobicContact CD-CB 3.97Å; K455-E503 WeakPolarHBondContact CD-O 3.14Å; K455-E503 VanDerWaalsContact CE-OE2 3.25Å; K455-E503 WeakPolarHBondContact CE-OE2 3.49Å; K455-E503 PolarHBondContact NZ-O 3.05Å; K455-E503 IonicContact NZ-OE2 2.69Å; Q499-E503 HydrophobicContact CG-CG 4.43Å; Q499-E503 VanDerWaalsContact CG-OE1 3.3Å; Q499-E503 WeakPolarHBondContact CG-OE1 3.34Å; Q499-E503 PolarHBondContact NE2-OE1 3.37Å; Q499-E503 WeakPolarHBondContact O-CB 3.4Å; Q499-E503 WeakPolarHBondContact O-CG 3.44Å; Q499-E503 PolarHBondContact O-N 2.87Å; Y501-E503 VanDerWaalsContact C-N 3.32Å; Y501-E503 PolarHBondContact O-N 3Å |
| 504 | A | 87.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -74.1 | -41.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | F452 K455 L500 Y501 G508 I571 | F452-A504 WeakPolarHBondContact CD2-O 3.47Å; K455-A504 HydrophobicContact CB-CB 4.07Å; L500-A504 WeakPolarHBondContact O-CB 3.46Å; L500-A504 PolarHBondContact O-N 3.06Å; L500-A504 VanDerWaalsContact O-N 3.13Å; Y501-A504 PolarHBondContact O-N 3.41Å; A504-G508 PolarHBondContact O-N 2.8Å; A504-I571 HydrophobicContact CB-CD1 4.1Å |
| 505 | T | 87.8 | Confident | 84.5 | Confident | 13 Ų | 13 | 48 Ų | 48 | 8% | 0.08 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.8 | -34.1 | -179.9 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | Y501 T502 N509 | Y501-T505 HydrophobicContact CE1-CG2 4.19Å; Y501-T505 HydrophobicContact CE2-CG2 4.22Å; Y501-T505 PolarHBondContact O-N 3.47Å; Y501-T505 PolarHBondContact O-OG1 2.92Å; Y501-T505 VanDerWaalsContact O-OG1 3.06Å; T502-T505 WeakPolarHBondContact CA-OG1 3.41Å; T502-T505 PolarHBondContact O-OG1 2.89Å; T505-N509 WeakPolarHBondContact O-CB 3.45Å; T505-N509 PolarHBondContact O-N 3.1Å; T505-N509 VanDerWaalsContact O-N 3.08Å; T505-N509 PolarHBondContact O-ND2 3.26Å |
| 506 | N | 87.9 | Confident | 83.8 | Confident | 94 Ų | 94 | 48.9 Ų | 48.9 | 50% | 0.503 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -65.8 | -46.5 | 177.1 | -77.5 | -23.1 | 0 | 0 | 0 | 111.8 | T502 G508 N509 A510 | T502-N506 WeakPolarHBondContact O-CB 3.33Å; T502-N506 VanDerWaalsContact O-CG 3.22Å; T502-N506 PolarHBondContact O-N 2.82Å; T502-N506 PolarHBondContact O-ND2 3.4Å; N506-G508 PolarHBondContact O-N 3.35Å; N506-N509 PolarHBondContact O-N 3.31Å; N506-A510 WeakPolarHBondContact O-CB 3.42Å; N506-A510 PolarHBondContact O-N 2.85Å |
| 507 | D | 88.4 | Confident | 82.8 | Confident | 20 Ų | 20 | 50 Ų | 50 | 11% | 0.107 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.1 | -40.6 | 179.9 | -69.1 | 21.9 | 0 | 0 | 0 | 111.4 | L448 Q451 F452 K455 A510 L511 | L448-D507 HydrophobicContact CD1-CB 4.39Å; Q451-D507 WeakPolarHBondContact CB-OD2 3.15Å; F452-D507 HydrophobicContact CB-CB 4.04Å; K455-D507 VanDerWaalsContact CD-OD2 3.31Å; K455-D507 WeakPolarHBondContact CD-OD2 3.48Å; K455-D507 VanDerWaalsContact CE-OD2 3.32Å; K455-D507 WeakPolarHBondContact CE-OD2 3.44Å; K455-D507 IonicContact NZ-OD1 3.47Å; K455-D507 PolarHBondContact NZ-OD1 3.43Å; K455-D507 IonicContact NZ-OD2 2.68Å; K455-D507 PolarHBondContact NZ-OD2 2.85Å; D507-A510 PolarHBondContact O-N 3.18Å; D507-L511 VanDerWaalsContact O-CB 3.26Å; D507-L511 WeakPolarHBondContact O-CB 3.35Å; D507-L511 PolarHBondContact O-N 2.84Å |
| 508 | G | 86 | Confident | 81.3 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -42.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | A504 N506 L511 S512 | A504-G508 PolarHBondContact O-N 2.8Å; N506-G508 PolarHBondContact O-N 3.35Å; G508-L511 PolarHBondContact O-N 2.9Å; G508-S512 WeakPolarHBondContact O-CB 3.38Å; G508-S512 PolarHBondContact O-N 3.2Å |
| 509 | N | 83.8 | Confident | 79.8 | Confident | 92 Ų | 92 | 53.6 Ų | 53.6 | 49% | 0.492 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 174 | -82.5 | -55.8 | 0 | 0 | 0 | 111.8 | T505 N506 L511 S512 H513 | T505-N509 WeakPolarHBondContact O-CB 3.45Å; T505-N509 PolarHBondContact O-N 3.1Å; T505-N509 VanDerWaalsContact O-N 3.08Å; T505-N509 PolarHBondContact O-ND2 3.26Å; N506-N509 PolarHBondContact O-N 3.31Å; N509-L511 VanDerWaalsContact C-N 3.33Å; N509-L511 PolarHBondContact O-N 2.81Å; N509-S512 PolarHBondContact O-N 3.2Å; N509-H513 WeakPolarHBondContact O-CB 3.3Å; N509-H513 PolarHBondContact O-N 2.78Å |
| 510 | A | 81.9 | Confident | 78.3 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 36% | 0.355 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L448 N506 D507 S514 | L448-A510 HydrophobicContact CD1-CB 4.41Å; L448-A510 HydrophobicContact CD2-CB 3.82Å; N506-A510 WeakPolarHBondContact O-CB 3.42Å; N506-A510 PolarHBondContact O-N 2.85Å; D507-A510 PolarHBondContact O-N 3.18Å; A510-S514 WeakPolarHBondContact O-CB 3.32Å; A510-S514 PolarHBondContact O-N 3.5Å; A510-S514 VanDerWaalsContact O-N 3.08Å; A510-S514 PolarHBondContact O-OG 3.28Å |
| 511 | L | 85.1 | Confident | 76.7 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.9 | -50.7 | 174.7 | -178.2 | 59 | 0 | 0 | 0 | 111.5 | V445 L448 F452 D507 G508 N509 H513 S514 L515 V564 | V445-L511 HydrophobicContact CG1-CD1 4.15Å; L448-L511 HydrophobicContact CB-CD1 4.47Å; L448-L511 HydrophobicContact CD2-CB 4.25Å; L448-L511 HydrophobicContact CG-CB 4.16Å; F452-L511 HydrophobicContact CB-CD2 4.09Å; F452-L511 HydrophobicContact CD1-CD2 3.94Å; F452-L511 HydrophobicContact CG-CD2 4.2Å; D507-L511 VanDerWaalsContact O-CB 3.26Å; D507-L511 WeakPolarHBondContact O-CB 3.35Å; D507-L511 PolarHBondContact O-N 2.84Å; G508-L511 PolarHBondContact O-N 2.9Å; N509-L511 VanDerWaalsContact C-N 3.33Å; N509-L511 PolarHBondContact O-N 2.81Å; L511-H513 VanDerWaalsContact C-N 3.34Å; L511-H513 PolarHBondContact O-N 2.83Å; L511-S514 PolarHBondContact O-N 3.49Å; L511-S514 VanDerWaalsContact O-N 3.13Å; L511-L515 HydrophobicContact CD1-CD1 4.24Å; L511-L515 HydrophobicContact CG-CD1 4.12Å; L511-L515 WeakPolarHBondContact O-CG 3.3Å; L511-L515 PolarHBondContact O-N 2.84Å; L511-L515 VanDerWaalsContact O-N 3.1Å; L511-V564 HydrophobicContact CD2-CG1 4.27Å; L511-V564 HydrophobicContact CD2-CG2 3.54Å; L511-V564 HydrophobicContact CG-CG2 4.16Å |
| 512 | S | 80.6 | Confident | 74.5 | Confident | 11 Ų | 11 | 55.2 Ų | 55.2 | 8% | 0.077 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 111.8 | G508 N509 S514 L515 Q516 | G508-S512 WeakPolarHBondContact O-CB 3.38Å; G508-S512 PolarHBondContact O-N 3.2Å; N509-S512 PolarHBondContact O-N 3.2Å; S512-S514 VanDerWaalsContact C-N 3.31Å; S512-S514 PolarHBondContact O-N 2.86Å; S512-L515 PolarHBondContact O-N 3.43Å; S512-Q516 WeakPolarHBondContact O-CG 3.22Å; S512-Q516 PolarHBondContact O-N 3.49Å; S512-Q516 PolarHBondContact OG-NE2 3.01Å |
| 513 | H | 74.9 | Confident | 72.2 | Confident | 140 Ų | 140 | 60.4 Ų | 60.4 | 65% | 0.648 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.4 | -31.9 | 178.6 | -162.2 | -40.9 | 0 | 0 | 0 | 112.6 | N509 L511 | N509-H513 WeakPolarHBondContact O-CB 3.3Å; N509-H513 PolarHBondContact O-N 2.78Å; L511-H513 VanDerWaalsContact C-N 3.34Å; L511-H513 PolarHBondContact O-N 2.83Å |
| 514 | S | 76.1 | Confident | 69.6 | Low | 48 Ų | 48 | 62 Ų | 62 | 34% | 0.336 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.1 | -30.3 | 177.7 | -56.8 | 0 | 0 | 0 | 0 | 113 | A510 L511 S512 | A510-S514 WeakPolarHBondContact O-CB 3.32Å; A510-S514 PolarHBondContact O-N 3.5Å; A510-S514 VanDerWaalsContact O-N 3.08Å; A510-S514 PolarHBondContact O-OG 3.28Å; L511-S514 PolarHBondContact O-N 3.49Å; L511-S514 VanDerWaalsContact O-N 3.13Å; S512-S514 VanDerWaalsContact C-N 3.31Å; S512-S514 PolarHBondContact O-N 2.86Å |
| 515 | L | 74.1 | Confident | 66.8 | Low | 13 Ų | 13 | 68.2 Ų | 68.2 | 7% | 0.068 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -76 | -22.9 | -180 | -71.2 | 164.2 | 0 | 0 | 0 | 113.7 | I372 V445 L511 S512 S517 A561 | I372-L515 HydrophobicContact CD1-CD1 3.76Å; I372-L515 HydrophobicContact CD1-CD2 4.09Å; I372-L515 HydrophobicContact CG2-CD2 4.02Å; V445-L515 HydrophobicContact CG1-CD2 4.08Å; L511-L515 HydrophobicContact CD1-CD1 4.24Å; L511-L515 HydrophobicContact CG-CD1 4.12Å; L511-L515 WeakPolarHBondContact O-CG 3.3Å; L511-L515 PolarHBondContact O-N 2.84Å; L511-L515 VanDerWaalsContact O-N 3.1Å; S512-L515 PolarHBondContact O-N 3.43Å; L515-S517 VanDerWaalsContact C-N 3.32Å; L515-S517 PolarHBondContact O-N 3.24Å; L515-A561 HydrophobicContact CB-CB 4.34Å; L515-A561 HydrophobicContact CD1-CB 4.23Å |
| 516 | Q | 69.2 | Low | 63.9 | Low | 136 Ų | 136 | 70.9 Ų | 70.9 | 64% | 0.636 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -5.9 | -176.7 | -68.7 | 174.5 | 18.1 | 0 | 0 | 113.7 | S512 P518 | S512-Q516 WeakPolarHBondContact O-CG 3.22Å; S512-Q516 PolarHBondContact O-N 3.49Å; S512-Q516 PolarHBondContact OG-NE2 3.01Å; Q516-P518 WeakPolarHBondContact O-CD 3.47Å |
| 517 | S | 63.7 | Low | 60.8 | Low | 80 Ų | 80 | 71.2 Ų | 71.2 | 56% | 0.559 | 45% | 0.454 | S | S | * | . | S | Bend | trans | -126 | 73.9 | -173.6 | 54.4 | 0 | 0 | 0 | 0 | 113.3 | L515 | L515-S517 VanDerWaalsContact C-N 3.32Å; L515-S517 PolarHBondContact O-N 3.24Å |
| 518 | P | 56.8 | Low | 57.8 | Low | 75 Ų | 75 | 78.7 Ų | 78.7 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | trans | -72.5 | 146.9 | -175.5 | 29.9 | -36.6 | 0 | 0 | 0 | 114.3 | Q516 Y557 | Q516-P518 WeakPolarHBondContact O-CD 3.47Å; P518-Y557 HydrophobicContact CB-CE1 3.85Å; P518-Y557 HydrophobicContact CB-CE2 4.14Å; P518-Y557 WeakPolarHBondContact CB-OH 3.39Å | ||
| 519 | P | 56.1 | Low | 54.8 | Low | 42 Ų | 42 | 85.9 Ų | 85.9 | 27% | 0.273 | 52% | 0.522 | S | S | . | . | trans | -77 | 131.3 | -178.2 | 30.1 | -34.8 | 0 | 0 | 0 | 113.2 | Y369 A438 L521 | Y369-P519 HydrophobicContact CE1-CG 4.45Å; Y369-P519 HydrophobicContact CE2-CG 3.92Å; Y369-P519 WeakPolarHBondContact OH-CD 3.28Å; A438-P519 HydrophobicContact CB-CB 4.42Å; A438-P519 HydrophobicContact CB-CG 4.34Å; P519-L521 PolarHBondContact O-N 3.06Å | ||
| 520 | A | 54.8 | Low | 52 | Low | 100 Ų | 100 | 86.3 Ų | 86.3 | 83% | 0.826 | 54% | 0.538 | S | S | * | . | trans | -76.4 | 81.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 521 | L | 51.7 | Low | 49.2 | Very low | 29 Ų | 29 | 87.6 Ų | 87.6 | 15% | 0.152 | 56% | 0.556 | C | S | . | * | trans | -85.1 | -18.4 | -174.8 | -88.3 | 168.4 | 0 | 0 | 0 | 116.3 | V362 F365 L366 T434 A438 P519 | V362-L521 HydrophobicContact CG1-CB 4.16Å; V362-L521 HydrophobicContact CG1-CD1 4.49Å; V362-L521 HydrophobicContact CG1-CD2 4.26Å; V362-L521 HydrophobicContact CG2-CD2 4.3Å; F365-L521 HydrophobicContact CD1-CD1 3.83Å; F365-L521 HydrophobicContact CE1-CD1 3.95Å; L366-L521 HydrophobicContact CD2-CB 4.35Å; L366-L521 HydrophobicContact CD2-CD1 3.89Å; L366-L521 HydrophobicContact CG-CD1 4.37Å; T434-L521 HydrophobicContact CG2-CD2 4.36Å; A438-L521 HydrophobicContact CB-CD1 3.75Å; A438-L521 HydrophobicContact CB-CD2 4Å; A438-L521 HydrophobicContact CB-CG 4.07Å; P519-L521 PolarHBondContact O-N 3.06Å | ||
| 522 | V | 43.1 | Very low | 46.4 | Very low | 100 Ų | 100 | 92.7 Ų | 92.7 | 61% | 0.606 | 60% | 0.598 | S | S | * | * | trans | -130.7 | 116.1 | -178.6 | -177.1 | 0 | 0 | 0 | 0 | 110.3 | L366 | L366-V522 HydrophobicContact CD1-CG2 3.99Š| ||
| 523 | N | 39.2 | Very low | 43.8 | Very low | 168 Ų | 168 | 96.2 Ų | 96.2 | 90% | 0.898 | 63% | 0.628 | S | S | * | * | trans | -143.7 | 111.2 | 165.9 | -151.9 | -18.7 | 0 | 0 | 0 | 110.3 | ||||
| 524 | S | 32.8 | Very low | 41.5 | Very low | 97 Ų | 97 | 99.1 Ų | 99.1 | 68% | 0.678 | 64% | 0.642 | S | S | * | * | trans | -100.7 | 134.7 | -172.1 | 53.1 | 0 | 0 | 0 | 0 | 112 | G526 | S524-G526 PolarHBondContact O-N 3.03Å; S524-G526 VanDerWaalsContact O-N 3.12Å | ||
| 525 | S | 27.8 | Very low | 39.1 | Very low | 132 Ų | 132 | 100.4 Ų | 100.4 | 92% | 0.923 | 66% | 0.663 | S | S | * | * | trans | -66.8 | 106.5 | 175.5 | 53.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 526 | G | 26.8 | Very low | 37 | Very low | 68 Ų | 68 | 107.9 Ų | 107.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -167.4 | 79.2 | -176 | 0 | 0 | 0 | 0 | 0 | 117.6 | S524 | S524-G526 PolarHBondContact O-N 3.03Å; S524-G526 VanDerWaalsContact O-N 3.12Å | ||
| 527 | S | 23.8 | Very low | 35 | Very low | 101 Ų | 101 | 106.6 Ų | 106.6 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | 57.7 | 105.1 | 143.9 | -175.7 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 528 | K | 24.6 | Very low | 33.3 | Very low | 177 Ų | 177 | 107.5 Ų | 107.5 | 77% | 0.77 | 73% | 0.728 | S | S | * | * | 71.1 | 120 | 128.8 | -66.4 | 179.4 | 176.4 | -178 | 0 | 122.7 | |||||
| 529 | I | 24.5 | Very low | 31.8 | Very low | 152 Ų | 152 | 107.9 Ų | 107.9 | 78% | 0.779 | 75% | 0.745 | S | S | * | * | 75.9 | 134 | 125 | -64.6 | 164.5 | 0 | 0 | 0 | 119.6 | |||||
| 530 | A | 24.6 | Very low | 30.2 | Very low | 100 Ų | 100 | 112.5 Ų | 112.5 | 83% | 0.826 | 78% | 0.777 | S | S | * | * | trans | 67.9 | 152.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 531 | G | 23.9 | Very low | 28.6 | Very low | 71 Ų | 71 | 112.6 Ų | 112.6 | 73% | 0.732 | 77% | 0.771 | S | S | * | * | cis | 141.6 | 131.7 | -14.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 532 | A | 25.1 | Very low | 27.3 | Very low | 107 Ų | 107 | 116.2 Ų | 116.2 | 88% | 0.884 | 80% | 0.799 | S | S | * | * | trans | 72.8 | 163.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 533 | A | 27.1 | Very low | 26.4 | Very low | 85 Ų | 85 | 116.7 Ų | 116.7 | 70% | 0.702 | 81% | 0.807 | S | S | * | * | trans | 64.1 | 123.2 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 534 | E | 25.6 | Very low | 25.7 | Very low | 201 Ų | 201 | 114.4 Ų | 114.4 | 94% | 0.939 | 80% | 0.804 | S | S | * | * | cis | 72.1 | 134.2 | 42.4 | -57.7 | -176.1 | 146.7 | 0 | 0 | 114 | ||||
| 535 | G | 26.1 | Very low | 25.3 | Very low | 75 Ų | 75 | 116.5 Ų | 116.5 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 146.6 | 99.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 536 | D | 29.3 | Very low | 25.1 | Very low | 170 Ų | 170 | 116.6 Ų | 116.6 | 91% | 0.909 | 81% | 0.812 | S | S | * | * | trans | -47.7 | 155.3 | -180 | -54.4 | -63.6 | 0 | 0 | 0 | 117.9 | ||||
| 537 | A | 26.9 | Very low | 25 | Very low | 109 Ų | 109 | 119 Ų | 119 | 90% | 0.901 | 82% | 0.818 | S | S | * | * | trans | -114.3 | 90.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 538 | A | 27.9 | Very low | 25 | Very low | 99 Ų | 99 | 118.3 Ų | 118.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -153.1 | 113.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 539 | G | 25.3 | Very low | 25.2 | Very low | 82 Ų | 82 | 116.3 Ų | 116.3 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | 71.5 | 104.6 | 149.9 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 540 | C | 23.8 | Very low | 25.5 | Very low | 139 Ų | 139 | 117.9 Ų | 117.9 | 94% | 0.939 | 82% | 0.82 | S | S | * | * | trans | -151.2 | 169.5 | 137.6 | -144.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 541 | S | 21.7 | Very low | 25.9 | Very low | 102 Ų | 102 | 118 Ų | 118 | 71% | 0.713 | 82% | 0.821 | S | S | * | * | trans | -140.6 | 168.3 | -170.6 | 65.9 | 0 | 0 | 0 | 0 | 113 | ||||
| 542 | S | 23.6 | Very low | 26.5 | Very low | 106 Ų | 106 | 119.9 Ų | 119.9 | 74% | 0.741 | 82% | 0.823 | S | S | * | * | trans | 77.5 | 123.2 | 167.1 | 75.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 543 | S | 24.3 | Very low | 26.9 | Very low | 110 Ų | 110 | 116.6 Ų | 116.6 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | 40.6 | 112.1 | 142.3 | 59 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 544 | S | 24.8 | Very low | 27.4 | Very low | 120 Ų | 120 | 118.4 Ų | 118.4 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | -160 | 135 | 120.5 | 48.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 545 | T | 24.5 | Very low | 28.2 | Very low | 140 Ų | 140 | 113.4 Ų | 113.4 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -85.6 | 120.4 | 171.2 | 46.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 546 | C | 22.4 | Very low | 29.2 | Very low | 134 Ų | 134 | 113.5 Ų | 113.5 | 91% | 0.905 | 77% | 0.77 | S | S | * | * | trans | -153.5 | 146.2 | 163.8 | -129.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 547 | S | 24.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 108 Ų | 108 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -108.2 | 113.9 | -162.2 | 55.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 548 | S | 24.5 | Very low | 32 | Very low | 87 Ų | 87 | 107 Ų | 107 | 61% | 0.608 | 72% | 0.723 | S | S | * | * | trans | -159.7 | 120.2 | 148.5 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 549 | P | 28.6 | Very low | 33.7 | Very low | 136 Ų | 136 | 108.8 Ų | 108.8 | 88% | 0.883 | 71% | 0.714 | S | S | * | * | trans | -76 | 129.5 | 171.9 | 30.3 | -32.2 | 0 | 0 | 0 | 110.6 | ||||
| 550 | K | 29.9 | Very low | 35.7 | Very low | 184 Ų | 184 | 105.5 Ų | 105.5 | 80% | 0.8 | 68% | 0.68 | S | S | * | * | trans | -145 | 132.7 | 174.8 | -77.5 | -178 | 176.2 | 174.1 | 0 | 110.6 | ||||
| 551 | A | 34.4 | Very low | 38 | Very low | 102 Ų | 102 | 99.4 Ų | 99.4 | 84% | 0.843 | 64% | 0.64 | S | S | * | * | trans | 41.8 | 93.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117.2 | G553 | A551-G553 PolarHBondContact O-N 3.33Š| ||
| 552 | S | 35.7 | Very low | 40.4 | Very low | 111 Ų | 111 | 97.2 Ų | 97.2 | 78% | 0.776 | 63% | 0.628 | S | S | * | * | trans | -61.3 | 114.3 | 163.3 | 46.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 553 | G | 34 | Very low | 43.2 | Very low | 39 Ų | 39 | 94.9 Ų | 94.9 | 40% | 0.402 | 61% | 0.605 | S | S | . | * | trans | -88.4 | -170.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A551 T555 | A551-G553 PolarHBondContact O-N 3.33Å; G553-T555 PolarHBondContact O-N 3.48Å; G553-T555 PolarHBondContact O-OG1 3.32Å | ||
| 554 | P | 38.4 | Very low | 46 | Very low | 122 Ų | 122 | 89.7 Ų | 89.7 | 79% | 0.792 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -69.8 | 19.5 | -172.4 | -21.6 | 34.9 | 0 | 0 | 0 | 117.3 | D556 | P554-D556 VanDerWaalsContact C-N 3.31Å; P554-D556 PolarHBondContact O-N 3.23Å |
| 555 | T | 41 | Very low | 48.7 | Very low | 96 Ų | 96 | 87.4 Ų | 87.4 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -70.2 | -20.5 | -171.1 | 37.9 | 0 | 0 | 0 | 0 | 114.9 | G553 Y557 C558 | G553-T555 PolarHBondContact O-N 3.48Å; G553-T555 PolarHBondContact O-OG1 3.32Å; T555-Y557 PolarHBondContact O-N 3.21Å; T555-C558 VanDerWaalsContact O-CB 3.32Å; T555-C558 WeakPolarHBondContact O-CB 3.39Å; T555-C558 PolarHBondContact O-N 2.94Å; T555-C558 PolarHBondContact O-SG 3Å |
| 556 | D | 47.9 | Very low | 51.4 | Low | 78 Ų | 78 | 85.4 Ų | 85.4 | 42% | 0.417 | 53% | 0.527 | S | S | . | . | G | 310 helix | trans | -78.9 | -22.2 | -158.2 | -55.2 | -9.7 | 0 | 0 | 0 | 113.3 | P554 C558 H559 | P554-D556 VanDerWaalsContact C-N 3.31Å; P554-D556 PolarHBondContact O-N 3.23Å; D556-C558 PolarHBondContact O-N 2.82Å; D556-C558 VanDerWaalsContact O-N 3.14Å; D556-H559 PolarHBondContact O-N 2.89Å |
| 557 | Y | 52.4 | Low | 54.4 | Low | 54 Ų | 54 | 79.8 Ų | 79.8 | 21% | 0.212 | 49% | 0.489 | C | S | . | . | H | α-helix | trans | -55.6 | -29 | 170.3 | -76.2 | -95.1 | 0 | 0 | 0 | 113.1 | Y369 P518 T555 H559 | Y369-Y557 AromaticContact CD1-CE1 3.88Å; Y369-Y557 HydrophobicContact CD1-CE1 3.88Å; Y369-Y557 AromaticContact CD1-CZ 3.63Å; Y369-Y557 WeakPolarHBondContact CD1-OH 3.47Å; Y369-Y557 AromaticContact CE1-CE1 3.83Å; Y369-Y557 HydrophobicContact CE1-CE1 3.83Å; Y369-Y557 AromaticContact CE1-CZ 3.9Å; Y369-Y557 WeakPolarHBondContact CE1-OH 3.05Å; P518-Y557 HydrophobicContact CB-CE1 3.85Å; P518-Y557 HydrophobicContact CB-CE2 4.14Å; P518-Y557 WeakPolarHBondContact CB-OH 3.39Å; T555-Y557 PolarHBondContact O-N 3.21Å; Y557-H559 VanDerWaalsContact C-N 3.28Å; Y557-H559 PolarHBondContact O-N 3.14Å |
| 558 | C | 62 | Low | 57.3 | Low | 89 Ų | 89 | 74.5 Ų | 74.5 | 60% | 0.601 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -67.5 | -28.8 | -175.8 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | T555 D556 A562 | T555-C558 VanDerWaalsContact O-CB 3.32Å; T555-C558 WeakPolarHBondContact O-CB 3.39Å; T555-C558 PolarHBondContact O-N 2.94Å; T555-C558 PolarHBondContact O-SG 3Å; D556-C558 PolarHBondContact O-N 2.82Å; D556-C558 VanDerWaalsContact O-N 3.14Å; C558-A562 WeakPolarHBondContact O-CB 3.41Å; C558-A562 PolarHBondContact O-N 2.92Å; C558-A562 VanDerWaalsContact O-N 3.12Å |
| 559 | H | 64.4 | Low | 60.1 | Low | 135 Ų | 135 | 76.4 Ų | 76.4 | 63% | 0.625 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -72.3 | -50.3 | -173.9 | -129.7 | 70.9 | 0 | 0 | 0 | 111.9 | E374 D556 Y557 A561 A562 H563 | E374-H559 IonicContact OE1-CD2 3.89Å; D556-H559 PolarHBondContact O-N 2.89Å; Y557-H559 VanDerWaalsContact C-N 3.28Å; Y557-H559 PolarHBondContact O-N 3.14Å; H559-A561 VanDerWaalsContact C-N 3.33Å; H559-A561 PolarHBondContact O-N 3.48Å; H559-A562 PolarHBondContact O-N 3.39Å; H559-A562 VanDerWaalsContact O-N 3.16Å; H559-H563 PolarHBondContact O-N 2.76Å; H559-H563 VanDerWaalsContact O-N 3.13Å |
| 560 | G | 66.8 | Low | 62.8 | Low | 13 Ų | 13 | 74.1 Ų | 74.1 | 13% | 0.134 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | A562 H563 V564 | G560-A562 PolarHBondContact O-N 3.33Å; G560-H563 PolarHBondContact O-N 2.92Å; G560-V564 WeakPolarHBondContact O-CG2 3.26Å; G560-V564 PolarHBondContact O-N 2.9Å |
| 561 | A | 72.9 | Confident | 65.6 | Low | 12 Ų | 12 | 65.3 Ų | 65.3 | 10% | 0.099 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -64.7 | -38.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L515 H559 L565 | L515-A561 HydrophobicContact CB-CB 4.34Å; L515-A561 HydrophobicContact CD1-CB 4.23Å; H559-A561 VanDerWaalsContact C-N 3.33Å; H559-A561 PolarHBondContact O-N 3.48Å; A561-L565 WeakPolarHBondContact O-CG 3.41Å; A561-L565 PolarHBondContact O-N 3.06Å |
| 562 | A | 72.2 | Confident | 68.1 | Low | 56 Ų | 56 | 63.1 Ų | 63.1 | 46% | 0.463 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -64.9 | -42.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | C558 H559 G560 L565 E566 | C558-A562 WeakPolarHBondContact O-CB 3.41Å; C558-A562 PolarHBondContact O-N 2.92Å; C558-A562 VanDerWaalsContact O-N 3.12Å; H559-A562 PolarHBondContact O-N 3.39Å; H559-A562 VanDerWaalsContact O-N 3.16Å; G560-A562 PolarHBondContact O-N 3.33Å; A562-L565 PolarHBondContact O-N 3.26Å; A562-E566 PolarHBondContact O-N 3.33Å |
| 563 | H | 80.9 | Confident | 70.3 | Confident | 57 Ų | 57 | 59.4 Ų | 59.4 | 26% | 0.264 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -68.4 | -37.1 | 179.9 | -171.5 | 52.4 | 0 | 0 | 0 | 112.9 | E374 H559 G560 L565 E566 T567 | E374-H563 PolarHBondContact O-CD2 3.4Å; E374-H563 PolarHBondContact O-NE2 3.35Å; H559-H563 PolarHBondContact O-N 2.76Å; H559-H563 VanDerWaalsContact O-N 3.13Å; G560-H563 PolarHBondContact O-N 2.92Å; H563-L565 PolarHBondContact O-N 3.11Å; H563-E566 IonicContact ND1-OE2 3.02Å; H563-E566 PolarHBondContact ND1-OE2 3.32Å; H563-E566 PolarHBondContact O-N 2.92Å; H563-T567 WeakPolarHBondContact O-CB 3.28Å; H563-T567 PolarHBondContact O-N 3.21Å; H563-T567 PolarHBondContact O-OG1 3.24Å |
| 564 | V | 83.4 | Confident | 72.7 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -58.7 | -47.5 | 173.1 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | F452 L511 G560 T567 M568 | F452-V564 HydrophobicContact CD1-CG1 4.38Å; F452-V564 HydrophobicContact CD1-CG2 4.27Å; F452-V564 HydrophobicContact CE1-CB 4.16Å; F452-V564 HydrophobicContact CE1-CG1 3.88Å; F452-V564 HydrophobicContact CE1-CG2 3.99Å; F452-V564 HydrophobicContact CZ-CG1 3.94Å; L511-V564 HydrophobicContact CD2-CG1 4.27Å; L511-V564 HydrophobicContact CD2-CG2 3.54Å; L511-V564 HydrophobicContact CG-CG2 4.16Å; G560-V564 WeakPolarHBondContact O-CG2 3.26Å; G560-V564 PolarHBondContact O-N 2.9Å; V564-T567 PolarHBondContact O-N 3.34Å; V564-M568 HydrophobicContact CG1-SD 4.28Å; V564-M568 WeakPolarHBondContact O-CG 3.49Å; V564-M568 PolarHBondContact O-N 3.36Å |
| 565 | L | 81.1 | Confident | 75.2 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 38% | 0.382 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 178.1 | -70 | 169.1 | 0 | 0 | 0 | 112.9 | A561 A562 H563 T567 M568 H569 | A561-L565 WeakPolarHBondContact O-CG 3.41Å; A561-L565 PolarHBondContact O-N 3.06Å; A562-L565 PolarHBondContact O-N 3.26Å; H563-L565 PolarHBondContact O-N 3.11Å; L565-T567 PolarHBondContact O-N 2.96Å; L565-M568 PolarHBondContact O-N 2.94Å; L565-H569 PolarHBondContact O-N 2.68Å |
| 566 | E | 82.1 | Confident | 77.2 | Confident | 97 Ų | 97 | 59.6 Ų | 59.6 | 45% | 0.453 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.2 | -38 | 176 | -162 | -145.1 | 158.8 | 0 | 0 | 111.6 | A562 H563 H569 K570 | A562-E566 PolarHBondContact O-N 3.33Å; H563-E566 IonicContact ND1-OE2 3.02Å; H563-E566 PolarHBondContact ND1-OE2 3.32Å; H563-E566 PolarHBondContact O-N 2.92Å; E566-H569 PolarHBondContact O-N 3.44Å; E566-K570 WeakPolarHBondContact O-CG 3.49Å; E566-K570 PolarHBondContact O-N 3.41Å; E566-K570 WeakPolarHBondContact OE1-CE 3.49Å; E566-K570 IonicContact OE1-NZ 2.64Å; E566-K570 PolarHBondContact OE1-NZ 3.41Å; E566-K570 IonicContact OE2-NZ 3.48Å; E566-K570 PolarHBondContact OE2-NZ 2.75Å |
| 567 | T | 84.5 | Confident | 79 | Confident | 17 Ų | 17 | 61 Ų | 61 | 10% | 0.104 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -73.8 | -39.4 | -179.7 | -53.9 | 0 | 0 | 0 | 0 | 111.8 | F452 T456 H563 V564 L565 H569 K570 I571 | F452-T567 HydrophobicContact CZ-CG2 4.19Å; T456-T567 HydrophobicContact CG2-CG2 3.53Å; H563-T567 WeakPolarHBondContact O-CB 3.28Å; H563-T567 PolarHBondContact O-N 3.21Å; H563-T567 PolarHBondContact O-OG1 3.24Å; V564-T567 PolarHBondContact O-N 3.34Å; L565-T567 PolarHBondContact O-N 2.96Å; T567-H569 PolarHBondContact O-N 3.4Å; T567-K570 PolarHBondContact O-N 3.49Å; T567-I571 PolarHBondContact O-N 3.48Å |
| 568 | M | 86.6 | Confident | 80.6 | Confident | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.03 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -61 | -41.2 | 170.9 | -71.2 | 177.5 | 69 | 0 | 0 | 112.3 | F452 V564 L565 K570 I571 H572 | F452-M568 HydrophobicContact CE2-CG 3.89Å; F452-M568 HydrophobicContact CZ-CG 4.01Å; V564-M568 HydrophobicContact CG1-SD 4.28Å; V564-M568 WeakPolarHBondContact O-CG 3.49Å; V564-M568 PolarHBondContact O-N 3.36Å; L565-M568 PolarHBondContact O-N 2.94Å; M568-K570 VanDerWaalsContact C-N 3.27Å; M568-K570 PolarHBondContact O-N 2.92Å; M568-I571 PolarHBondContact O-N 2.99Å; M568-H572 PolarHBondContact O-CD2 3.12Å; M568-H572 PolarHBondContact O-N 3.32Å |
| 569 | H | 83.5 | Confident | 81.7 | Confident | 128 Ų | 128 | 57.3 Ų | 57.3 | 59% | 0.593 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -60.4 | -35.3 | 176.7 | -73.7 | 179.8 | 0 | 0 | 0 | 113 | L565 E566 T567 H572 G573 | L565-H569 PolarHBondContact O-N 2.68Å; E566-H569 PolarHBondContact O-N 3.44Å; T567-H569 PolarHBondContact O-N 3.4Å; H569-H572 PolarHBondContact O-N 2.83Å; H569-G573 PolarHBondContact O-N 2.96Å; H569-G573 VanDerWaalsContact O-N 3.09Å |
| 570 | K | 84.7 | Confident | 82.5 | Confident | 87 Ų | 87 | 55.8 Ų | 55.8 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.6 | -46 | 174.3 | -67.2 | 163.8 | -170.1 | 166.2 | 0 | 111.1 | E566 T567 M568 H572 G573 Y574 | E566-K570 WeakPolarHBondContact O-CG 3.49Å; E566-K570 PolarHBondContact O-N 3.41Å; E566-K570 WeakPolarHBondContact OE1-CE 3.49Å; E566-K570 IonicContact OE1-NZ 2.64Å; E566-K570 PolarHBondContact OE1-NZ 3.41Å; E566-K570 IonicContact OE2-NZ 3.48Å; E566-K570 PolarHBondContact OE2-NZ 2.75Å; T567-K570 PolarHBondContact O-N 3.49Å; M568-K570 VanDerWaalsContact C-N 3.27Å; M568-K570 PolarHBondContact O-N 2.92Å; K570-H572 PolarHBondContact O-N 3.44Å; K570-G573 PolarHBondContact O-N 3.19Å; K570-Y574 WeakPolarHBondContact O-CD2 3.4Å; K570-Y574 PolarHBondContact O-N 3.47Å |
| 571 | I | 88.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -59.2 | -47.1 | 175.4 | -62 | 165.1 | 0 | 0 | 0 | 111 | T456 Y459 Y501 A504 T567 M568 G573 Y574 Q575 | T456-I571 HydrophobicContact CG2-CD1 4.05Å; Y459-I571 HydrophobicContact CD1-CG1 4.46Å; Y459-I571 HydrophobicContact CD1-CG2 4.03Å; Y459-I571 HydrophobicContact CE1-CG2 3.87Å; Y501-I571 HydrophobicContact CD2-CG2 3.56Å; Y501-I571 HydrophobicContact CE2-CG2 3.72Å; A504-I571 HydrophobicContact CB-CD1 4.1Å; T567-I571 PolarHBondContact O-N 3.48Å; M568-I571 PolarHBondContact O-N 2.99Å; I571-G573 PolarHBondContact O-N 2.96Å; I571-Y574 PolarHBondContact O-N 3.37Å; I571-Q575 PolarHBondContact O-N 3.47Å |
| 572 | H | 86.8 | Confident | 84 | Confident | 55 Ų | 55 | 56.5 Ų | 56.5 | 26% | 0.255 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | -180 | -66.1 | 174.9 | 0 | 0 | 0 | 113.4 | Y501 M568 H569 K570 Y574 | Y501-H572 AromaticContact CE2-CD2 3.97Å; Y501-H572 AromaticContact CZ-CD2 3.88Å; Y501-H572 PolarHBondContact OH-CD2 3.47Å; M568-H572 PolarHBondContact O-CD2 3.12Å; M568-H572 PolarHBondContact O-N 3.32Å; H569-H572 PolarHBondContact O-N 2.83Å; K570-H572 PolarHBondContact O-N 3.44Å; H572-Y574 VanDerWaalsContact C-N 3.34Å |
| 573 | G | 82.4 | Confident | 84.6 | Confident | 33 Ų | 33 | 57.2 Ų | 57.2 | 34% | 0.34 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -67.3 | -36 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | H569 K570 I571 | H569-G573 PolarHBondContact O-N 2.96Å; H569-G573 VanDerWaalsContact O-N 3.09Å; K570-G573 PolarHBondContact O-N 3.19Å; I571-G573 PolarHBondContact O-N 2.96Å |
| 574 | Y | 84.7 | Confident | 84.7 | Confident | 93 Ų | 93 | 60.9 Ų | 60.9 | 37% | 0.365 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72.7 | -40.4 | 179.3 | -88.9 | -47.8 | 0 | 0 | 0 | 113.7 | M460 I463 K570 I571 H572 R576 Q577 L578 | M460-Y574 HydrophobicContact CE-CD2 4.47Å; M460-Y574 HydrophobicContact CE-CE2 3.91Å; M460-Y574 HydrophobicContact SD-CD2 3.73Å; M460-Y574 HydrophobicContact SD-CE2 3.76Å; I463-Y574 VanDerWaalsContact CD1-CB 3.43Å; I463-Y574 HydrophobicContact CD1-CD1 3.71Å; I463-Y574 HydrophobicContact CD1-CG 3.73Å; K570-Y574 WeakPolarHBondContact O-CD2 3.4Å; K570-Y574 PolarHBondContact O-N 3.47Å; I571-Y574 PolarHBondContact O-N 3.37Å; H572-Y574 VanDerWaalsContact C-N 3.34Å; Y574-R576 VanDerWaalsContact C-N 3.32Å; Y574-R576 PolarHBondContact O-N 3.04Å; Y574-Q577 PolarHBondContact O-N 3.5Å; Y574-L578 PolarHBondContact O-N 2.94Å |
| 575 | Q | 90.3 | Very high | 84.8 | Confident | 3 Ų | 3 | 63.3 Ų | 63.3 | 1% | 0.014 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -57.1 | -43.2 | 179.3 | 179.7 | 64.2 | 17.5 | 0 | 0 | 112.6 | Y459 Y501 I571 Q577 L578 E579 | Y459-Q575 VanDerWaalsContact OH-CA 3.26Å; Y459-Q575 WeakPolarHBondContact OH-CA 3.44Å; Y459-Q575 WeakPolarHBondContact OH-CB 3.3Å; Y459-Q575 PolarHBondContact OH-N 3.21Å; Y459-Q575 PolarHBondContact OH-OE1 3.25Å; Y501-Q575 HydrophobicContact CD2-CB 3.68Å; Y501-Q575 HydrophobicContact CD2-CG 3.7Å; Y501-Q575 HydrophobicContact CE1-CG 4.47Å; Y501-Q575 HydrophobicContact CE2-CB 3.42Å; Y501-Q575 VanDerWaalsContact CE2-CB 3.42Å; Y501-Q575 HydrophobicContact CE2-CG 3.58Å; Y501-Q575 HydrophobicContact CG-CG 4.2Å; I571-Q575 PolarHBondContact O-N 3.47Å; Q575-Q577 PolarHBondContact O-N 2.9Å; Q575-L578 PolarHBondContact O-N 3.18Å; Q575-L578 VanDerWaalsContact O-N 3.15Å; Q575-E579 HydrophobicContact CG-CG 4.49Å; Q575-E579 VanDerWaalsContact CG-OE1 3.28Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.43Å; Q575-E579 PolarHBondContact NE2-OE1 2.97Å; Q575-E579 PolarHBondContact O-N 3.25Å |
| 576 | R | 83.8 | Confident | 85 | Confident | 165 Ų | 165 | 63.9 Ų | 63.9 | 62% | 0.623 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -59 | -44 | 179.3 | -65.9 | 175.7 | -173.8 | 150.6 | 2.6 | 112.8 | Y574 L578 E579 D580 | Y574-R576 VanDerWaalsContact C-N 3.32Å; Y574-R576 PolarHBondContact O-N 3.04Å; R576-L578 PolarHBondContact O-N 3.38Å; R576-E579 PolarHBondContact O-N 3.17Å; R576-D580 PolarHBondContact O-N 3.02Å |
| 577 | Q | 85.2 | Confident | 85 | Confident | 108 Ų | 108 | 63.5 Ų | 63.5 | 51% | 0.505 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -61.6 | -32 | 179.4 | -65.3 | -178.4 | -7.9 | 0 | 0 | 112.2 | Y574 Q575 | Y574-Q577 PolarHBondContact O-N 3.5Å; Q575-Q577 PolarHBondContact O-N 2.9Å |
| 578 | L | 86.3 | Confident | 84.8 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -79.8 | -40.2 | 175.7 | -163.2 | 81.2 | 0 | 0 | 0 | 112.3 | W466 L467 V497 Y574 Q575 R576 D580 A581 W582 | W466-L578 VanDerWaalsContact C-CD1 3.43Å; W466-L578 HydrophobicContact CB-CD1 3.63Å; W466-L578 HydrophobicContact CB-CD2 3.94Å; W466-L578 HydrophobicContact CB-CG 4.47Å; W466-L578 HydrophobicContact CE3-CD2 4.41Å; L467-L578 HydrophobicContact CB-CD1 4.24Å; L467-L578 HydrophobicContact CD2-CD1 3.9Å; L467-L578 HydrophobicContact CG-CD1 3.72Å; L467-L578 VanDerWaalsContact N-CD1 3.34Å; V497-L578 HydrophobicContact CB-CD2 4.02Å; V497-L578 HydrophobicContact CG1-CD2 3.58Å; V497-L578 HydrophobicContact CG2-CD2 3.4Å; V497-L578 VanDerWaalsContact CG2-CD2 3.4Å; Y574-L578 PolarHBondContact O-N 2.94Å; Q575-L578 PolarHBondContact O-N 3.18Å; Q575-L578 VanDerWaalsContact O-N 3.15Å; R576-L578 PolarHBondContact O-N 3.38Å; L578-D580 PolarHBondContact O-N 3.31Å; L578-A581 PolarHBondContact O-N 3.34Å; L578-W582 VanDerWaalsContact O-CB 3.25Å; L578-W582 WeakPolarHBondContact O-CB 3.3Å; L578-W582 PolarHBondContact O-N 2.92Å |
| 579 | E | 84.6 | Confident | 84.7 | Confident | 64 Ų | 64 | 66 Ų | 66 | 30% | 0.299 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.6 | -46.5 | 175.2 | -80.4 | 169.1 | -172 | 0 | 0 | 111.6 | Y494 Q575 R576 A581 W582 Q583 | Y494-E579 HydrophobicContact CE2-CG 3.93Å; Y494-E579 PolarHBondContact OH-OE1 2.69Å; Q575-E579 HydrophobicContact CG-CG 4.49Å; Q575-E579 VanDerWaalsContact CG-OE1 3.28Å; Q575-E579 WeakPolarHBondContact CG-OE1 3.43Å; Q575-E579 PolarHBondContact NE2-OE1 2.97Å; Q575-E579 PolarHBondContact O-N 3.25Å; R576-E579 PolarHBondContact O-N 3.17Å; E579-A581 PolarHBondContact O-N 2.91Å; E579-W582 PolarHBondContact O-N 3.35Å; E579-Q583 VanDerWaalsContact O-CG 3.26Å; E579-Q583 WeakPolarHBondContact O-CG 3.39Å; E579-Q583 PolarHBondContact O-N 3.44Å |
| 580 | D | 81.1 | Confident | 84.6 | Confident | 104 Ų | 104 | 63.9 Ų | 63.9 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -57.8 | -49.6 | 176.7 | -72.6 | -32.3 | 0 | 0 | 0 | 111.8 | R576 L578 W582 Q583 Q584 | R576-D580 PolarHBondContact O-N 3.02Å; L578-D580 PolarHBondContact O-N 3.31Å; D580-W582 PolarHBondContact O-N 3.38Å; D580-Q583 PolarHBondContact O-N 2.96Å; D580-Q584 WeakPolarHBondContact O-CG 3.36Å; D580-Q584 PolarHBondContact O-N 2.75Å |
| 581 | A | 83.1 | Confident | 84.4 | Confident | 20 Ų | 20 | 61.9 Ų | 61.9 | 17% | 0.165 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65 | -39.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | C470 L578 E579 R585 | C470-A581 HydrophobicContact CB-CB 3.8Å; L578-A581 PolarHBondContact O-N 3.34Å; E579-A581 PolarHBondContact O-N 2.91Å; A581-R585 PolarHBondContact O-N 3.38Å |
| 582 | W | 88.5 | Confident | 84.2 | Confident | 20 Ų | 20 | 64 Ų | 64 | 8% | 0.076 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 178.9 | 179.8 | 81.9 | 0 | 0 | 0 | 112.1 | H490 Y494 L578 E579 D580 Q584 R585 R586 | H490-W582 AromaticContact CD2-CD1 3.6Å; H490-W582 AromaticContact CD2-CE2 3.97Å; H490-W582 AromaticContact CD2-NE1 3.27Å; H490-W582 PolarHBondContact CD2-NE1 2.94Å; H490-W582 VanDerWaalsContact CD2-NE1 3.27Å; H490-W582 AromaticContact CE1-CD1 3.36Å; H490-W582 AromaticContact CE1-NE1 3.85Å; H490-W582 AromaticContact CG-NE1 3.83Å; H490-W582 AromaticContact ND1-CD1 3.98Å; H490-W582 AromaticContact NE2-CD1 3.1Å; H490-W582 AromaticContact NE2-CE2 4Å; H490-W582 AromaticContact NE2-CG 3.62Å; H490-W582 AromaticContact NE2-NE1 3.3Å; H490-W582 PolarHBondContact NE2-NE1 3.28Å; H490-W582 PolarHBondContact NE2-O 2.79Å; H490-W582 PolarHBondContact O-NE1 3.45Å; Y494-W582 HydrophobicContact CD1-CH2 4.45Å; Y494-W582 HydrophobicContact CD1-CZ2 4.39Å; Y494-W582 HydrophobicContact CD2-CB 4.41Å; Y494-W582 AromaticContact CD2-CD2 3.6Å; Y494-W582 HydrophobicContact CD2-CD2 3.6Å; Y494-W582 AromaticContact CD2-CE2 3.85Å; Y494-W582 AromaticContact CD2-CE3 3.94Å; Y494-W582 HydrophobicContact CD2-CE3 3.94Å; Y494-W582 AromaticContact CD2-CG 3.79Å; Y494-W582 HydrophobicContact CD2-CG 3.79Å; Y494-W582 HydrophobicContact CD2-CZ2 4.36Å; Y494-W582 HydrophobicContact CD2-CZ3 4.43Å; Y494-W582 HydrophobicContact CE2-CD2 4.17Å; Y494-W582 HydrophobicContact CE2-CE3 4.06Å; Y494-W582 HydrophobicContact CE2-CZ3 4.47Å; Y494-W582 HydrophobicContact CG-CD2 4.05Å; Y494-W582 AromaticContact CG-CE2 3.79Å; Y494-W582 HydrophobicContact CG-CE3 4.45Å; Y494-W582 HydrophobicContact CG-CG 4.48Å; Y494-W582 HydrophobicContact CG-CH2 4.35Å; Y494-W582 AromaticContact CG-CZ2 3.97Å; Y494-W582 HydrophobicContact CG-CZ2 3.97Å; L578-W582 VanDerWaalsContact O-CB 3.25Å; L578-W582 WeakPolarHBondContact O-CB 3.3Å; L578-W582 PolarHBondContact O-N 2.92Å; E579-W582 PolarHBondContact O-N 3.35Å; D580-W582 PolarHBondContact O-N 3.38Å; W582-Q584 PolarHBondContact O-N 2.97Å; W582-R585 PolarHBondContact O-N 3.42Å; W582-R586 WeakPolarHBondContact O-CB 3.33Å; W582-R586 PolarHBondContact O-N 3.22Å |
| 583 | Q | 83.5 | Confident | 84.1 | Confident | 71 Ų | 71 | 62.6 Ų | 62.6 | 33% | 0.332 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.6 | -43.3 | 178.3 | -70 | -70.5 | 5.1 | 0 | 0 | 111.9 | E579 D580 R585 R586 I587 | E579-Q583 VanDerWaalsContact O-CG 3.26Å; E579-Q583 WeakPolarHBondContact O-CG 3.39Å; E579-Q583 PolarHBondContact O-N 3.44Å; D580-Q583 PolarHBondContact O-N 2.96Å; Q583-R585 PolarHBondContact O-N 3.49Å; Q583-R586 WeakPolarHBondContact O-CB 3.49Å; Q583-R586 PolarHBondContact O-N 3.19Å; Q583-R586 VanDerWaalsContact OE1-CZ 3.3Å; Q583-I587 WeakPolarHBondContact O-CG1 3.43Å; Q583-I587 PolarHBondContact O-N 2.99Å |
| 584 | Q | 83 | Confident | 84.2 | Confident | 133 Ų | 133 | 63 Ų | 63 | 62% | 0.621 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.9 | -47.8 | -179.6 | -71.1 | 178.6 | 17.3 | 0 | 0 | 112.2 | D580 W582 K588 | D580-Q584 WeakPolarHBondContact O-CG 3.36Å; D580-Q584 PolarHBondContact O-N 2.75Å; W582-Q584 PolarHBondContact O-N 2.97Å; Q584-K588 PolarHBondContact O-N 3.36Å |
| 585 | R | 85.7 | Confident | 84.1 | Confident | 51 Ų | 51 | 59.2 Ų | 59.2 | 19% | 0.192 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 176.7 | -173.7 | 71.2 | -177.5 | -177.2 | 6.4 | 111.9 | V472 S474 A581 W582 Q583 I587 K588 L589 | V472-R585 PolarHBondContact O-NH1 3.21Å; V472-R585 VanDerWaalsContact O-NH1 3.1Å; S474-R585 PolarHBondContact O-NH1 3.45Å; S474-R585 PolarHBondContact O-NH2 2.58Å; A581-R585 PolarHBondContact O-N 3.38Å; W582-R585 PolarHBondContact O-N 3.42Å; Q583-R585 PolarHBondContact O-N 3.49Å; R585-I587 PolarHBondContact O-N 2.87Å; R585-K588 PolarHBondContact O-N 3.09Å; R585-L589 HydrophobicContact CG-CD1 4.28Å; R585-L589 WeakPolarHBondContact O-CG 3.29Å; R585-L589 PolarHBondContact O-N 3.25Å |
| 586 | R | 86.3 | Confident | 83.8 | Confident | 85 Ų | 85 | 60.5 Ų | 60.5 | 32% | 0.321 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.7 | -42.7 | 178 | -173.4 | 172.2 | 74.9 | 125.6 | 0.7 | 112.5 | W582 Q583 H590 | W582-R586 WeakPolarHBondContact O-CB 3.33Å; W582-R586 PolarHBondContact O-N 3.22Å; Q583-R586 WeakPolarHBondContact O-CB 3.49Å; Q583-R586 PolarHBondContact O-N 3.19Å; Q583-R586 VanDerWaalsContact OE1-CZ 3.3Å; R586-H590 PolarHBondContact O-N 3.01Å; R586-H590 PolarHBondContact O-ND1 3.47Å |
| 587 | I | 81.5 | Confident | 83.9 | Confident | 89 Ų | 89 | 55.8 Ų | 55.8 | 46% | 0.456 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 178.8 | -68.3 | 164.9 | 0 | 0 | 0 | 110.8 | Q583 R585 L589 H590 Q591 | Q583-I587 WeakPolarHBondContact O-CG1 3.43Å; Q583-I587 PolarHBondContact O-N 2.99Å; R585-I587 PolarHBondContact O-N 2.87Å; I587-L589 VanDerWaalsContact C-N 3.3Å; I587-L589 PolarHBondContact O-N 2.79Å; I587-H590 PolarHBondContact O-N 3.19Å; I587-Q591 HydrophobicContact CG2-CG 4.35Å; I587-Q591 WeakPolarHBondContact O-CG 3.44Å; I587-Q591 PolarHBondContact O-N 3.15Å |
| 588 | K | 81.3 | Confident | 84.1 | Confident | 74 Ų | 74 | 51 Ų | 51 | 32% | 0.322 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -62.6 | -34.2 | -177.9 | -62.6 | -166.8 | -177.9 | -152.5 | 0 | 112.9 | L476 Q584 R585 K592 E667 | L476-K588 HydrophobicContact CD1-CB 4.25Å; Q584-K588 PolarHBondContact O-N 3.36Å; R585-K588 PolarHBondContact O-N 3.09Å; K588-K592 PolarHBondContact O-N 3.23Å; K588-E667 WeakPolarHBondContact CE-OE2 3.39Å; K588-E667 IonicContact NZ-OE1 2.75Å; K588-E667 PolarHBondContact NZ-OE1 2.86Å; K588-E667 IonicContact NZ-OE2 3.79Å; K588-E667 PolarHBondContact NZ-OE2 2.69Å |
| 589 | L | 83.9 | Confident | 84.1 | Confident | 3 Ų | 3 | 54.3 Ų | 54.3 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.6 | -51.2 | 171.9 | -73.6 | 163.8 | 0 | 0 | 0 | 112 | L476 L483 I487 H490 R585 I587 Q591 K592 L593 | L476-L589 HydrophobicContact CD2-CD2 3.59Å; L476-L589 HydrophobicContact CD2-CG 4.04Å; L483-L589 HydrophobicContact CD2-CB 4.26Å; L483-L589 HydrophobicContact CD2-CD2 3.7Å; L483-L589 VanDerWaalsContact CD2-O 3.3Å; L483-L589 WeakPolarHBondContact CD2-O 3.3Å; I487-L589 HydrophobicContact CD1-CB 4.24Å; I487-L589 HydrophobicContact CG1-CB 3.73Å; I487-L589 HydrophobicContact CG1-CD1 4.17Å; I487-L589 HydrophobicContact CG1-CG 4.36Å; H490-L589 HydrophobicContact CB-CD1 4.27Å; R585-L589 HydrophobicContact CG-CD1 4.28Å; R585-L589 WeakPolarHBondContact O-CG 3.29Å; R585-L589 PolarHBondContact O-N 3.25Å; I587-L589 VanDerWaalsContact C-N 3.3Å; I587-L589 PolarHBondContact O-N 2.79Å; L589-Q591 PolarHBondContact O-N 3.15Å; L589-K592 PolarHBondContact O-N 3.43Å; L589-L593 PolarHBondContact O-N 2.77Å; L589-L593 VanDerWaalsContact O-N 3.08Å |
| 590 | H | 82.3 | Confident | 84.2 | Confident | 82 Ų | 82 | 56.8 Ų | 56.8 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -65.6 | -39.3 | -176.3 | -76.9 | 77.9 | 0 | 0 | 0 | 113.1 | R586 I587 K592 L593 A594 | R586-H590 PolarHBondContact O-N 3.01Å; R586-H590 PolarHBondContact O-ND1 3.47Å; I587-H590 PolarHBondContact O-N 3.19Å; H590-K592 VanDerWaalsContact C-N 3.33Å; H590-K592 PolarHBondContact O-N 2.66Å; H590-L593 PolarHBondContact O-N 3.26Å; H590-A594 PolarHBondContact O-N 2.74Å |
| 591 | Q | 80.5 | Confident | 84.7 | Confident | 46 Ų | 46 | 55 Ų | 55 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 174.5 | -74.2 | 174.7 | -28.8 | 0 | 0 | 111.9 | I587 L589 A594 L595 T664 | I587-Q591 HydrophobicContact CG2-CG 4.35Å; I587-Q591 WeakPolarHBondContact O-CG 3.44Å; I587-Q591 PolarHBondContact O-N 3.15Å; L589-Q591 PolarHBondContact O-N 3.15Å; Q591-A594 PolarHBondContact O-N 2.9Å; Q591-L595 PolarHBondContact O-N 2.76Å; Q591-T664 PolarHBondContact NE2-O 3.29Å |
| 592 | K | 83.8 | Confident | 85.1 | Confident | 43 Ų | 43 | 54.2 Ų | 54.2 | 19% | 0.187 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -69.8 | -35.6 | 179.9 | -168 | 66.1 | 177.9 | -179.6 | 0 | 112.5 | L476 L483 K588 L589 H590 L596 W668 | L476-K592 HydrophobicContact CB-CG 4.49Å; L483-K592 HydrophobicContact CD1-CB 4.02Å; L483-K592 HydrophobicContact CD1-CG 3.68Å; L483-K592 HydrophobicContact CD2-CB 4.27Å; K588-K592 PolarHBondContact O-N 3.23Å; L589-K592 PolarHBondContact O-N 3.43Å; H590-K592 VanDerWaalsContact C-N 3.33Å; H590-K592 PolarHBondContact O-N 2.66Å; K592-L596 PolarHBondContact O-N 3.46Å; K592-W668 HydrophobicContact CD-CE3 4.46Å; K592-W668 HydrophobicContact CD-CH2 4.32Å; K592-W668 HydrophobicContact CD-CZ3 4.25Å |
| 593 | L | 84.9 | Confident | 85.1 | Confident | 26 Ų | 26 | 59.5 Ų | 59.5 | 14% | 0.136 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 173.5 | 177 | 60.5 | 0 | 0 | 0 | 111.5 | V480 E484 I487 L589 H590 L595 L596 L597 | V480-L593 HydrophobicContact CB-CD1 4.47Å; V480-L593 HydrophobicContact CG1-CD1 3.83Å; E484-L593 HydrophobicContact CG-CD1 4.33Å; I487-L593 HydrophobicContact CD1-CD2 3.84Å; L589-L593 PolarHBondContact O-N 2.77Å; L589-L593 VanDerWaalsContact O-N 3.08Å; H590-L593 PolarHBondContact O-N 3.26Å; L593-L595 VanDerWaalsContact C-N 3.35Å; L593-L595 PolarHBondContact O-N 2.92Å; L593-L596 PolarHBondContact O-N 3.14Å; L593-L597 HydrophobicContact CD1-CD1 4.09Å; L593-L597 HydrophobicContact CD1-CG 4.21Å; L593-L597 HydrophobicContact CG-CD1 4.02Å; L593-L597 WeakPolarHBondContact O-CG 3.21Å; L593-L597 PolarHBondContact O-N 3.47Å; L593-L597 VanDerWaalsContact O-N 3.09Å |
| 594 | A | 83.5 | Confident | 85.4 | Confident | 41 Ų | 41 | 62.7 Ų | 62.7 | 34% | 0.339 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -60.8 | -40.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | H590 Q591 L596 L597 F598 L661 | H590-A594 PolarHBondContact O-N 2.74Å; Q591-A594 PolarHBondContact O-N 2.9Å; A594-L596 PolarHBondContact O-N 2.81Å; A594-L597 PolarHBondContact O-N 2.98Å; A594-F598 PolarHBondContact O-N 3.4Å; A594-L661 HydrophobicContact CB-CD2 3.85Å |
| 595 | L | 82.8 | Confident | 85.9 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 175.4 | 177.7 | 62.6 | 0 | 0 | 0 | 112.7 | Q591 L593 Q599 V673 | Q591-L595 PolarHBondContact O-N 2.76Å; L593-L595 VanDerWaalsContact C-N 3.35Å; L593-L595 PolarHBondContact O-N 2.92Å; L595-Q599 WeakPolarHBondContact O-CG 3.22Å; L595-Q599 PolarHBondContact O-N 3.18Å; L595-Q599 VanDerWaalsContact O-N 3.14Å; L595-V673 HydrophobicContact CD1-CG2 3.7Å |
| 596 | L | 84.6 | Confident | 86.2 | Confident | 30 Ų | 30 | 55.7 Ų | 55.7 | 16% | 0.157 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -69.5 | -38.1 | -180 | -68.6 | 175.9 | 0 | 0 | 0 | 112.3 | V480 L483 K592 L593 A594 Q599 Q600 | V480-L596 HydrophobicContact CG2-CB 3.82Å; V480-L596 HydrophobicContact CG2-CD1 4.31Å; L483-L596 HydrophobicContact CD1-CD1 3.7Å; K592-L596 PolarHBondContact O-N 3.46Å; L593-L596 PolarHBondContact O-N 3.14Å; A594-L596 PolarHBondContact O-N 2.81Å; L596-Q599 PolarHBondContact O-N 3.03Å; L596-Q600 PolarHBondContact O-N 3.36Å; L596-Q600 VanDerWaalsContact O-N 3.09Å |
| 597 | L | 86.2 | Confident | 86.3 | Confident | 65 Ų | 65 | 54.6 Ų | 54.6 | 34% | 0.34 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 175.8 | -68.3 | 172.5 | 0 | 0 | 0 | 111.2 | V480 L593 A594 Q599 Q600 D601 | V480-L597 HydrophobicContact CG1-CD2 4.21Å; V480-L597 HydrophobicContact CG2-CD2 4.34Å; L593-L597 HydrophobicContact CD1-CD1 4.09Å; L593-L597 HydrophobicContact CD1-CG 4.21Å; L593-L597 HydrophobicContact CG-CD1 4.02Å; L593-L597 WeakPolarHBondContact O-CG 3.21Å; L593-L597 PolarHBondContact O-N 3.47Å; L593-L597 VanDerWaalsContact O-N 3.09Å; A594-L597 PolarHBondContact O-N 2.98Å; L597-Q599 PolarHBondContact O-N 2.81Å; L597-Q600 WeakPolarHBondContact O-CB 3.3Å; L597-Q600 PolarHBondContact O-N 2.61Å; L597-Q600 VanDerWaalsContact O-N 3.12Å; L597-D601 PolarHBondContact O-N 3.31Å |
| 598 | F | 88.5 | Confident | 86.8 | Confident | 8 Ų | 8 | 53 Ų | 53 | 4% | 0.035 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -55.7 | -47.7 | 174.2 | 164.2 | -106.4 | 0 | 0 | 0 | 112.4 | A594 Q600 D601 V602 L654 A658 L661 V673 T676 | A594-F598 PolarHBondContact O-N 3.4Å; F598-Q600 VanDerWaalsContact C-N 3.28Å; F598-Q600 PolarHBondContact O-N 2.89Å; F598-D601 PolarHBondContact O-N 2.93Å; F598-V602 HydrophobicContact CD2-CG2 3.81Å; F598-V602 HydrophobicContact CE1-CG2 4.45Å; F598-V602 HydrophobicContact CE2-CG2 3.39Å; F598-V602 HydrophobicContact CG-CG2 4.49Å; F598-V602 HydrophobicContact CZ-CG2 3.76Å; F598-V602 VanDerWaalsContact O-CG2 3.29Å; F598-V602 WeakPolarHBondContact O-CG2 3.4Å; F598-V602 PolarHBondContact O-N 3.47Å; F598-L654 HydrophobicContact CD2-CD2 4.09Å; F598-L654 HydrophobicContact CE2-CB 4.42Å; F598-L654 VanDerWaalsContact CE2-O 3.31Å; F598-L654 WeakPolarHBondContact CE2-O 3.41Å; F598-A658 HydrophobicContact CE2-CB 3.74Å; F598-A658 HydrophobicContact CZ-CB 3.64Å; F598-L661 HydrophobicContact CB-CD1 3.48Å; F598-L661 VanDerWaalsContact CB-CD1 3.48Å; F598-L661 HydrophobicContact CD1-CD1 3.94Å; F598-L661 HydrophobicContact CD2-CD1 4.28Å; F598-L661 HydrophobicContact CG-CD1 3.64Å; F598-V673 HydrophobicContact CE1-CG1 3.97Å; F598-V673 HydrophobicContact CZ-CG1 4.3Å; F598-T676 HydrophobicContact CE1-CG2 3.8Å; F598-T676 HydrophobicContact CZ-CG2 3.93Å |
| 599 | Q | 86.2 | Confident | 87.3 | Confident | 71 Ų | 71 | 49.5 Ų | 49.5 | 33% | 0.332 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.1 | -36.2 | 177.2 | -72.7 | 179 | -9.8 | 0 | 0 | 112.5 | L595 L596 L597 K603 | L595-Q599 WeakPolarHBondContact O-CG 3.22Å; L595-Q599 PolarHBondContact O-N 3.18Å; L595-Q599 VanDerWaalsContact O-N 3.14Å; L596-Q599 PolarHBondContact O-N 3.03Å; L597-Q599 PolarHBondContact O-N 2.81Å; Q599-K603 WeakPolarHBondContact O-CB 3.28Å; Q599-K603 PolarHBondContact O-N 3.36Å |
| 600 | Q | 87.2 | Confident | 87.5 | Confident | 116 Ų | 116 | 53.3 Ų | 53.3 | 54% | 0.542 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -69.7 | -43.1 | 177.2 | -171.5 | 178 | -84.5 | 0 | 0 | 112.5 | L596 L597 F598 K603 Q604 | L596-Q600 PolarHBondContact O-N 3.36Å; L596-Q600 VanDerWaalsContact O-N 3.09Å; L597-Q600 WeakPolarHBondContact O-CB 3.3Å; L597-Q600 PolarHBondContact O-N 2.61Å; L597-Q600 VanDerWaalsContact O-N 3.12Å; F598-Q600 VanDerWaalsContact C-N 3.28Å; F598-Q600 PolarHBondContact O-N 2.89Å; Q600-K603 WeakPolarHBondContact O-CB 3.42Å; Q600-K603 PolarHBondContact O-N 2.94Å; Q600-Q604 PolarHBondContact O-N 3.4Å |
| 601 | D | 90.8 | Very high | 87.7 | Confident | 67 Ų | 67 | 54.8 Ų | 54.8 | 36% | 0.358 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -73.4 | -38.2 | -177.5 | -70.5 | -9.7 | 0 | 0 | 0 | 112 | L597 F598 K603 Q604 V605 L654 | L597-D601 PolarHBondContact O-N 3.31Å; F598-D601 PolarHBondContact O-N 2.93Å; D601-K603 VanDerWaalsContact C-N 3.28Å; D601-K603 PolarHBondContact O-N 3.42Å; D601-Q604 WeakPolarHBondContact O-CB 3.27Å; D601-Q604 PolarHBondContact O-N 3.24Å; D601-Q604 VanDerWaalsContact O-N 3.11Å; D601-V605 PolarHBondContact O-N 3.4Å; D601-L654 HydrophobicContact CB-CD1 4.08Å; D601-L654 HydrophobicContact CB-CD2 3.66Å |
| 602 | V | 91.9 | Very high | 88 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -58.4 | -42.7 | 170.5 | 172.5 | 0 | 0 | 0 | 0 | 110.7 | F598 Q604 V605 L606 L654 T676 L680 | F598-V602 HydrophobicContact CD2-CG2 3.81Å; F598-V602 HydrophobicContact CE1-CG2 4.45Å; F598-V602 HydrophobicContact CE2-CG2 3.39Å; F598-V602 HydrophobicContact CG-CG2 4.49Å; F598-V602 HydrophobicContact CZ-CG2 3.76Å; F598-V602 VanDerWaalsContact O-CG2 3.29Å; F598-V602 WeakPolarHBondContact O-CG2 3.4Å; F598-V602 PolarHBondContact O-N 3.47Å; V602-Q604 PolarHBondContact O-N 2.89Å; V602-V605 PolarHBondContact O-N 3.43Å; V602-L606 HydrophobicContact CG1-CD1 4.02Å; V602-L606 WeakPolarHBondContact O-CG 3.36Å; V602-L606 PolarHBondContact O-N 3.14Å; V602-L606 VanDerWaalsContact O-N 3.1Å; V602-L654 HydrophobicContact CG2-CB 4.22Å; V602-L654 HydrophobicContact CG2-CD1 4.12Å; V602-L654 HydrophobicContact CG2-CD2 4.39Å; V602-L654 HydrophobicContact CG2-CG 4.48Å; V602-T676 HydrophobicContact CB-CG2 4.19Å; V602-T676 HydrophobicContact CG1-CG2 3.8Å; V602-T676 HydrophobicContact CG2-CG2 4.2Å; V602-L680 HydrophobicContact CG1-CB 4.16Å; V602-L680 HydrophobicContact CG1-CD1 4.36Å; V602-L680 HydrophobicContact CG1-CD2 4.26Å; V602-L680 HydrophobicContact CG1-CG 4.5Å; V602-L680 HydrophobicContact CG2-CD2 4.2Å |
| 603 | K | 89.4 | Confident | 88.3 | Confident | 130 Ų | 130 | 55.4 Ų | 55.4 | 57% | 0.565 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -61.3 | -43.4 | 174.2 | -176.4 | -174.1 | 172.4 | -173.4 | 0 | 111.5 | Q599 Q600 D601 V605 L606 D607 | Q599-K603 WeakPolarHBondContact O-CB 3.28Å; Q599-K603 PolarHBondContact O-N 3.36Å; Q600-K603 WeakPolarHBondContact O-CB 3.42Å; Q600-K603 PolarHBondContact O-N 2.94Å; D601-K603 VanDerWaalsContact C-N 3.28Å; D601-K603 PolarHBondContact O-N 3.42Å; K603-V605 VanDerWaalsContact C-N 3.29Å; K603-V605 PolarHBondContact O-N 3.39Å; K603-L606 PolarHBondContact O-N 2.97Å; K603-L606 VanDerWaalsContact O-N 3.16Å; K603-D607 VanDerWaalsContact CE-OD2 3.27Å; K603-D607 WeakPolarHBondContact CE-OD2 3.28Å; K603-D607 WeakPolarHBondContact O-CB 3.35Å; K603-D607 PolarHBondContact O-N 2.96Å |
| 604 | Q | 89.5 | Confident | 88.3 | Confident | 138 Ų | 138 | 54.9 Ų | 54.9 | 65% | 0.645 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -60.5 | -37.7 | 179 | -170.5 | 180 | 74.5 | 0 | 0 | 112.4 | Q600 D601 V602 W608 | Q600-Q604 PolarHBondContact O-N 3.4Å; D601-Q604 WeakPolarHBondContact O-CB 3.27Å; D601-Q604 PolarHBondContact O-N 3.24Å; D601-Q604 VanDerWaalsContact O-N 3.11Å; V602-Q604 PolarHBondContact O-N 2.89Å; Q604-W608 WeakPolarHBondContact O-CB 3.39Å; Q604-W608 PolarHBondContact O-N 2.96Å |
| 605 | V | 93.5 | Very high | 88.4 | Confident | 12 Ų | 12 | 55 Ų | 55 | 7% | 0.073 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -67 | -42.9 | 174.4 | 175 | 0 | 0 | 0 | 0 | 111.8 | D601 V602 K603 W608 L609 T647 A651 L654 L680 I684 | D601-V605 PolarHBondContact O-N 3.4Å; V602-V605 PolarHBondContact O-N 3.43Å; K603-V605 VanDerWaalsContact C-N 3.29Å; K603-V605 PolarHBondContact O-N 3.39Å; V605-W608 PolarHBondContact O-N 3.42Å; V605-L609 WeakPolarHBondContact O-CG 3.3Å; V605-L609 PolarHBondContact O-N 3.23Å; V605-T647 HydrophobicContact CG1-CG2 3.87Å; V605-A651 HydrophobicContact CG1-CB 4.27Å; V605-L654 HydrophobicContact CG2-CD1 3.79Å; V605-L680 HydrophobicContact CB-CD1 4.23Å; V605-L680 HydrophobicContact CG1-CD1 3.78Å; V605-I684 HydrophobicContact CG1-CD1 4.25Å |
| 606 | L | 91.6 | Very high | 88.7 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 13% | 0.131 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 176.8 | -68.1 | 167.8 | 0 | 0 | 0 | 111.9 | V602 K603 W608 L609 D610 L680 R683 | V602-L606 HydrophobicContact CG1-CD1 4.02Å; V602-L606 WeakPolarHBondContact O-CG 3.36Å; V602-L606 PolarHBondContact O-N 3.14Å; V602-L606 VanDerWaalsContact O-N 3.1Å; K603-L606 PolarHBondContact O-N 2.97Å; K603-L606 VanDerWaalsContact O-N 3.16Å; L606-W608 VanDerWaalsContact C-N 3.27Å; L606-W608 PolarHBondContact O-N 2.79Å; L606-L609 HydrophobicContact CD2-CD1 4.49Å; L606-L609 WeakPolarHBondContact O-CB 3.25Å; L606-L609 PolarHBondContact O-N 3.02Å; L606-L609 VanDerWaalsContact O-N 3.16Å; L606-D610 PolarHBondContact O-N 3.41Å; L606-L680 HydrophobicContact CD2-CD1 4.17Å; L606-L680 HydrophobicContact CG-CD1 4.24Å; L606-R683 HydrophobicContact CD2-CG 3.66Å |
| 607 | D | 88.5 | Confident | 88.8 | Confident | 62 Ų | 62 | 55.1 Ų | 55.1 | 33% | 0.332 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -58.7 | -38.3 | 173.5 | -86.8 | -38.2 | 0 | 0 | 0 | 111.2 | K603 Q611 | K603-D607 VanDerWaalsContact CE-OD2 3.27Å; K603-D607 WeakPolarHBondContact CE-OD2 3.28Å; K603-D607 WeakPolarHBondContact O-CB 3.35Å; K603-D607 PolarHBondContact O-N 2.96Å; D607-Q611 WeakPolarHBondContact O-CB 3.42Å; D607-Q611 WeakPolarHBondContact O-CG 3.41Å; D607-Q611 PolarHBondContact O-N 2.84Å |
| 608 | W | 92.7 | Very high | 88.7 | Confident | 57 Ų | 57 | 60.1 Ų | 60.1 | 22% | 0.216 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.1 | -44.8 | 174 | -172 | 96.4 | 0 | 0 | 0 | 112.3 | Q604 V605 L606 D610 H612 G613 F640 V643 A644 T647 F687 | Q604-W608 WeakPolarHBondContact O-CB 3.39Å; Q604-W608 PolarHBondContact O-N 2.96Å; V605-W608 PolarHBondContact O-N 3.42Å; L606-W608 VanDerWaalsContact C-N 3.27Å; L606-W608 PolarHBondContact O-N 2.79Å; W608-D610 VanDerWaalsContact C-N 3.33Å; W608-D610 PolarHBondContact O-N 3.29Å; W608-H612 AromaticContact CD1-ND1 3.98Å; W608-H612 HydrophobicContact CD2-CB 4.13Å; W608-H612 HydrophobicContact CG-CB 4.44Å; W608-H612 HydrophobicContact CZ2-CB 4.13Å; W608-H612 AromaticContact NE1-CG 3.97Å; W608-H612 WeakPolarHBondContact O-CA 3.31Å; W608-H612 WeakPolarHBondContact O-CB 3.48Å; W608-H612 PolarHBondContact O-N 3.11Å; W608-G613 PolarHBondContact O-N 2.64Å; W608-F640 HydrophobicContact CH2-CE2 4.36Å; W608-V643 HydrophobicContact CZ2-CG1 4Å; W608-A644 HydrophobicContact CH2-CB 4.02Å; W608-A644 HydrophobicContact CZ3-CB 4.49Å; W608-T647 HydrophobicContact CD2-CG2 4.1Å; W608-T647 HydrophobicContact CE3-CG2 3.42Å; W608-T647 VanDerWaalsContact CE3-CG2 3.42Å; W608-T647 WeakPolarHBondContact CH2-OG1 3.35Å; W608-T647 HydrophobicContact CZ3-CG2 3.85Å; W608-T647 WeakPolarHBondContact CZ3-OG1 3.28Å; W608-F687 HydrophobicContact CZ3-CZ 4.39Å |
| 609 | L | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -58 | -45.2 | 177.4 | -74.4 | 174.5 | 0 | 0 | 0 | 111.3 | V605 L606 G613 E614 T647 I684 F687 | V605-L609 WeakPolarHBondContact O-CG 3.3Å; V605-L609 PolarHBondContact O-N 3.23Å; L606-L609 HydrophobicContact CD2-CD1 4.49Å; L606-L609 WeakPolarHBondContact O-CB 3.25Å; L606-L609 PolarHBondContact O-N 3.02Å; L606-L609 VanDerWaalsContact O-N 3.16Å; L609-G613 CarbonylContact O-C 3.58Å; L609-G613 WeakPolarHBondContact O-CA 3.38Å; L609-G613 PolarHBondContact O-N 3.35Å; L609-E614 PolarHBondContact O-N 3.19Å; L609-T647 HydrophobicContact CD2-CG2 4.11Å; L609-T647 HydrophobicContact CG-CG2 4.31Å; L609-I684 HydrophobicContact CD1-CD1 3.93Å; L609-I684 HydrophobicContact CD1-CG1 4.09Å; L609-F687 HydrophobicContact CD2-CB 4.34Å; L609-F687 HydrophobicContact CD2-CD1 3.49Å; L609-F687 VanDerWaalsContact CD2-CD1 3.49Å; L609-F687 HydrophobicContact CD2-CD2 4.25Å; L609-F687 HydrophobicContact CD2-CE1 3.72Å; L609-F687 HydrophobicContact CD2-CE2 4.46Å; L609-F687 HydrophobicContact CD2-CG 3.77Å; L609-F687 HydrophobicContact CD2-CZ 4.2Å |
| 610 | D | 88.1 | Confident | 88.4 | Confident | 82 Ų | 82 | 66.2 Ų | 66.2 | 44% | 0.439 | 31% | 0.308 | S | S | . | . | I | π-helix | trans | -75.5 | -43.1 | -177.9 | -71.3 | -6.1 | 0 | 0 | 0 | 112.5 | L606 W608 R683 | L606-D610 PolarHBondContact O-N 3.41Å; W608-D610 VanDerWaalsContact C-N 3.33Å; W608-D610 PolarHBondContact O-N 3.29Å; D610-R683 IonicContact OD1-CZ 2.99Å; D610-R683 IonicContact OD1-NE 3.11Å; D610-R683 PolarHBondContact OD1-NE 3.37Å; D610-R683 IonicContact OD1-NH2 3.33Å; D610-R683 PolarHBondContact OD1-NH2 2.88Å |
| 611 | Q | 86.9 | Confident | 88.1 | Confident | 113 Ų | 113 | 64.1 Ų | 64.1 | 53% | 0.528 | 30% | 0.298 | S | S | . | . | I | π-helix | trans | -78.2 | -39 | -175.5 | -64.1 | 173 | 33.1 | 0 | 0 | 113 | D607 T615 | D607-Q611 WeakPolarHBondContact O-CB 3.42Å; D607-Q611 WeakPolarHBondContact O-CG 3.41Å; D607-Q611 PolarHBondContact O-N 2.84Å; Q611-T615 WeakPolarHBondContact O-CB 3.47Å; Q611-T615 PolarHBondContact O-OG1 3.31Å |
| 612 | H | 86.9 | Confident | 87.7 | Confident | 102 Ų | 102 | 62.9 Ų | 62.9 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | I | π-helix | trans | -108.3 | -46.7 | -174.8 | -63.3 | 75.3 | 0 | 0 | 0 | 112.1 | W608 F616 | W608-H612 AromaticContact CD1-ND1 3.98Å; W608-H612 HydrophobicContact CD2-CB 4.13Å; W608-H612 HydrophobicContact CG-CB 4.44Å; W608-H612 HydrophobicContact CZ2-CB 4.13Å; W608-H612 AromaticContact NE1-CG 3.97Å; W608-H612 WeakPolarHBondContact O-CA 3.31Å; W608-H612 WeakPolarHBondContact O-CB 3.48Å; W608-H612 PolarHBondContact O-N 3.11Å; H612-F616 WeakPolarHBondContact O-CB 3.48Å; H612-F616 PolarHBondContact O-N 3.37Å |
| 613 | G | 89.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -65.1 | -65.9 | -175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W608 L609 T615 F616 L617 | W608-G613 PolarHBondContact O-N 2.64Å; L609-G613 CarbonylContact O-C 3.58Å; L609-G613 WeakPolarHBondContact O-CA 3.38Å; L609-G613 PolarHBondContact O-N 3.35Å; G613-T615 VanDerWaalsContact C-N 3.26Å; G613-T615 PolarHBondContact O-N 3.27Å; G613-F616 PolarHBondContact O-N 2.82Å; G613-F616 VanDerWaalsContact O-N 3.12Å; G613-L617 PolarHBondContact O-N 2.93Å |
| 614 | E | 85.2 | Confident | 87.2 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 7% | 0.07 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.1 | -37.9 | 178.7 | -65.9 | -68.5 | 171.9 | 0 | 0 | 111.7 | L609 F616 L617 R618 R683 R690 | L609-E614 PolarHBondContact O-N 3.19Å; E614-F616 VanDerWaalsContact C-N 3.35Å; E614-F616 PolarHBondContact O-N 2.95Å; E614-L617 PolarHBondContact O-N 2.67Å; E614-R618 WeakPolarHBondContact O-CB 3.46Å; E614-R618 WeakPolarHBondContact O-CG 3.31Å; E614-R618 PolarHBondContact O-N 3.1Å; E614-R683 IonicContact OE1-CZ 3.32Å; E614-R683 IonicContact OE1-NH1 3.57Å; E614-R683 PolarHBondContact OE1-NH1 3.49Å; E614-R683 IonicContact OE1-NH2 3.86Å; E614-R683 PolarHBondContact OE1-NH2 3.3Å; E614-R690 IonicContact OE1-NH1 3.36Å; E614-R690 PolarHBondContact OE1-NH1 3.32Å; E614-R690 IonicContact OE2-CZ 2.68Å; E614-R690 IonicContact OE2-NH1 3.42Å; E614-R690 PolarHBondContact OE2-NH1 2.96Å; E614-R690 IonicContact OE2-NH2 3.25Å |
| 615 | T | 85.5 | Confident | 86.9 | Confident | 43 Ų | 43 | 54.7 Ų | 54.7 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.8 | -38.7 | 175.5 | -65.9 | 0 | 0 | 0 | 0 | 112.6 | Q611 G613 K619 | Q611-T615 WeakPolarHBondContact O-CB 3.47Å; Q611-T615 PolarHBondContact O-OG1 3.31Å; G613-T615 VanDerWaalsContact C-N 3.26Å; G613-T615 PolarHBondContact O-N 3.27Å; T615-K619 HydrophobicContact CG2-CD 3.9Å; T615-K619 WeakPolarHBondContact O-CB 3.46Å; T615-K619 VanDerWaalsContact O-CG 3.28Å; T615-K619 WeakPolarHBondContact O-CG 3.44Å; T615-K619 PolarHBondContact O-N 2.75Å; T615-K619 VanDerWaalsContact O-N 3.16Å |
| 616 | F | 89.8 | Confident | 86.6 | Confident | 35 Ų | 35 | 57.9 Ų | 57.9 | 15% | 0.154 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.7 | -47.3 | 176.4 | -179.4 | -90.3 | 0 | 0 | 0 | 111.4 | H612 G613 E614 R618 K619 N620 F640 | H612-F616 WeakPolarHBondContact O-CB 3.48Å; H612-F616 PolarHBondContact O-N 3.37Å; G613-F616 PolarHBondContact O-N 2.82Å; G613-F616 VanDerWaalsContact O-N 3.12Å; E614-F616 VanDerWaalsContact C-N 3.35Å; E614-F616 PolarHBondContact O-N 2.95Å; F616-R618 PolarHBondContact O-N 3.46Å; F616-K619 PolarHBondContact O-N 3.27Å; F616-N620 WeakPolarHBondContact CD2-ND2 3.43Å; F616-N620 HydrophobicContact CE1-CB 4.46Å; F616-N620 WeakPolarHBondContact CE2-ND2 3.48Å; F616-N620 WeakPolarHBondContact O-CB 3.35Å; F616-N620 PolarHBondContact O-N 3Å; F616-N620 VanDerWaalsContact O-N 3.16Å; F616-N620 PolarHBondContact O-ND2 3.46Å; F616-F640 HydrophobicContact CB-CD2 3.75Å; F616-F640 HydrophobicContact CB-CE1 4.4Å; F616-F640 HydrophobicContact CB-CE2 3.34Å; F616-F640 HydrophobicContact CB-CG 4.41Å; F616-F640 HydrophobicContact CB-CZ 3.68Å; F616-F640 HydrophobicContact CD1-CB 4.09Å; F616-F640 AromaticContact CD1-CD1 3.39Å; F616-F640 HydrophobicContact CD1-CD1 3.39Å; F616-F640 AromaticContact CD1-CD2 3.68Å; F616-F640 HydrophobicContact CD1-CD2 3.68Å; F616-F640 AromaticContact CD1-CE1 3.52Å; F616-F640 HydrophobicContact CD1-CE1 3.52Å; F616-F640 AromaticContact CD1-CE2 3.82Å; F616-F640 HydrophobicContact CD1-CE2 3.82Å; F616-F640 AromaticContact CD1-CG 3.44Å; F616-F640 HydrophobicContact CD1-CG 3.44Å; F616-F640 VanDerWaalsContact CD1-CG 3.44Å; F616-F640 AromaticContact CD1-CZ 3.71Å; F616-F640 HydrophobicContact CD1-CZ 3.71Å; F616-F640 HydrophobicContact CD2-CB 4.12Å; F616-F640 AromaticContact CD2-CD2 3.7Å; F616-F640 HydrophobicContact CD2-CD2 3.7Å; F616-F640 HydrophobicContact CD2-CE2 4.23Å; F616-F640 AromaticContact CD2-CG 3.94Å; F616-F640 HydrophobicContact CD2-CG 3.94Å; F616-F640 HydrophobicContact CE1-CB 3.71Å; F616-F640 AromaticContact CE1-CD1 3.52Å; F616-F640 HydrophobicContact CE1-CD1 3.52Å; F616-F640 HydrophobicContact CE1-CD2 4.21Å; F616-F640 HydrophobicContact CE1-CE1 4.09Å; F616-F640 AromaticContact CE1-CG 3.56Å; F616-F640 HydrophobicContact CE1-CG 3.56Å; F616-F640 HydrophobicContact CE2-CB 3.75Å; F616-F640 HydrophobicContact CE2-CD2 4.23Å; F616-F640 HydrophobicContact CE2-CG 4.05Å; F616-F640 HydrophobicContact CG-CB 4.29Å; F616-F640 HydrophobicContact CG-CD1 4.04Å; F616-F640 AromaticContact CG-CD2 3.41Å; F616-F640 HydrophobicContact CG-CD2 3.41Å; F616-F640 VanDerWaalsContact CG-CD2 3.41Å; F616-F640 HydrophobicContact CG-CE1 4.14Å; F616-F640 AromaticContact CG-CE2 3.53Å; F616-F640 HydrophobicContact CG-CE2 3.53Å; F616-F640 AromaticContact CG-CG 3.66Å; F616-F640 HydrophobicContact CG-CG 3.66Å; F616-F640 AromaticContact CG-CZ 3.87Å; F616-F640 HydrophobicContact CG-CZ 3.87Å; F616-F640 HydrophobicContact CZ-CB 3.53Å; F616-F640 HydrophobicContact CZ-CD1 4.26Å; F616-F640 HydrophobicContact CZ-CD2 4.47Å; F616-F640 AromaticContact CZ-CG 3.87Å; F616-F640 HydrophobicContact CZ-CG 3.87Å |
| 617 | L | 86.8 | Confident | 86.6 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -46.5 | 178.9 | -66.2 | 176.4 | 0 | 0 | 0 | 111.5 | G613 E614 K619 N620 F687 R690 V691 | G613-L617 PolarHBondContact O-N 2.93Å; E614-L617 PolarHBondContact O-N 2.67Å; L617-K619 VanDerWaalsContact C-N 3.34Å; L617-K619 PolarHBondContact O-N 2.98Å; L617-N620 PolarHBondContact O-N 3.01Å; L617-F687 HydrophobicContact CD1-CD2 4Å; L617-F687 HydrophobicContact CD1-CE2 3.85Å; L617-F687 HydrophobicContact CG-CE2 4.47Å; L617-R690 HydrophobicContact CD1-CB 4.12Å; L617-V691 HydrophobicContact CD1-CG2 4.41Å; L617-V691 HydrophobicContact CD2-CG2 4.36Å |
| 618 | R | 82.8 | Confident | 86.4 | Confident | 171 Ų | 171 | 63.6 Ų | 63.6 | 65% | 0.645 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.4 | -36.7 | 177.1 | -74.7 | 174.8 | 176.4 | 157.7 | 1.1 | 113.4 | E614 F616 | E614-R618 WeakPolarHBondContact O-CB 3.46Å; E614-R618 WeakPolarHBondContact O-CG 3.31Å; E614-R618 PolarHBondContact O-N 3.1Å; F616-R618 PolarHBondContact O-N 3.46Å |
| 619 | K | 83.9 | Confident | 86.2 | Confident | 162 Ų | 162 | 69 Ų | 69 | 70% | 0.704 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -79.2 | -19.6 | -179.2 | -74.8 | 173.9 | 179.9 | 170.3 | 0 | 114 | T615 F616 L617 | T615-K619 HydrophobicContact CG2-CD 3.9Å; T615-K619 WeakPolarHBondContact O-CB 3.46Å; T615-K619 VanDerWaalsContact O-CG 3.28Å; T615-K619 WeakPolarHBondContact O-CG 3.44Å; T615-K619 PolarHBondContact O-N 2.75Å; T615-K619 VanDerWaalsContact O-N 3.16Å; F616-K619 PolarHBondContact O-N 3.27Å; L617-K619 VanDerWaalsContact C-N 3.34Å; L617-K619 PolarHBondContact O-N 2.98Å |
| 620 | N | 85.3 | Confident | 86.1 | Confident | 44 Ų | 44 | 69 Ų | 69 | 24% | 0.235 | 33% | 0.33 | C | S | . | . | trans | -121.9 | 51.1 | -170.1 | -64.9 | -77.8 | 0 | 0 | 0 | 112.7 | F616 L617 R694 | F616-N620 WeakPolarHBondContact CD2-ND2 3.43Å; F616-N620 HydrophobicContact CE1-CB 4.46Å; F616-N620 WeakPolarHBondContact CE2-ND2 3.48Å; F616-N620 WeakPolarHBondContact O-CB 3.35Å; F616-N620 PolarHBondContact O-N 3Å; F616-N620 VanDerWaalsContact O-N 3.16Å; F616-N620 PolarHBondContact O-ND2 3.46Å; L617-N620 PolarHBondContact O-N 3.01Å; N620-R694 PolarHBondContact O-NE 2.95Å; N620-R694 PolarHBondContact O-NH2 3.13Å | ||
| 621 | Q | 81.2 | Confident | 86.3 | Confident | 73 Ų | 73 | 70 Ų | 70 | 34% | 0.341 | 33% | 0.328 | S | S | . | . | trans | -79.7 | -45 | -177.9 | -69.3 | -178.5 | -21.7 | 0 | 0 | 114.9 | R694 | Q621-R694 PolarHBondContact O-NH1 3.41Å; Q621-R694 PolarHBondContact O-NH2 3.13Å; Q621-R694 VanDerWaalsContact O-NH2 3.11Å | ||
| 622 | G | 81.1 | Confident | 86.4 | Confident | 40 Ų | 40 | 66 Ų | 66 | 41% | 0.412 | 32% | 0.316 | S | S | . | . | trans | -65.6 | 142.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114 | L633 R694 | G622-L633 VanDerWaalsContact O-CD1 3.32Å; G622-L633 WeakPolarHBondContact O-CD1 3.38Å; G622-R694 PolarHBondContact O-NH2 3.26Å | ||
| 623 | I | 86.8 | Confident | 86.6 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 30% | 0.302 | C | S | . | . | trans | -79.3 | -25.3 | -177.4 | 56.2 | 166.4 | 0 | 0 | 0 | 114.8 | L633 L697 L763 L767 V785 | I623-L633 VanDerWaalsContact C-CD1 3.48Å; I623-L633 WeakPolarHBondContact O-CD1 3.33Å; I623-L697 HydrophobicContact CG2-CD1 4Å; I623-L697 HydrophobicContact CG2-CD2 3.86Å; I623-L697 HydrophobicContact CG2-CG 3.65Å; I623-L763 HydrophobicContact CD1-CD1 4.11Å; I623-L763 HydrophobicContact CD1-CD2 4.15Å; I623-L763 HydrophobicContact CD1-CG 4.32Å; I623-L767 HydrophobicContact CD1-CD1 4.01Å; I623-L767 HydrophobicContact CD1-CD2 4.25Å; I623-L767 HydrophobicContact CG1-CD2 4.5Å; I623-L767 HydrophobicContact CG2-CD2 3.94Å; I623-V785 HydrophobicContact CD1-CG2 4.36Å | ||
| 624 | G | 85.4 | Confident | 86.9 | Confident | 8 Ų | 8 | 65.4 Ų | 65.4 | 8% | 0.082 | 32% | 0.315 | C | S | . | . | trans | 99.1 | 118.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | T626 H705 | G624-T626 PolarHBondContact O-N 3.45Å; G624-T626 VanDerWaalsContact O-N 3.14Å; G624-H705 PolarHBondContact O-NE2 2.89Å | ||
| 625 | K | 83.3 | Confident | 87.1 | Confident | 88 Ų | 88 | 72.4 Ų | 72.4 | 38% | 0.383 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -78.2 | 14.9 | -179.4 | -57.2 | -171.2 | -177.1 | -176 | 0 | 114.4 | E780 F784 | K625-E780 IonicContact NZ-OE2 2.75Å; K625-E780 PolarHBondContact NZ-OE2 2.64Å; K625-F784 HydrophobicContact CB-CD1 4.12Å; K625-F784 HydrophobicContact CB-CE1 3.74Å; K625-F784 HydrophobicContact CB-CE2 4.29Å; K625-F784 HydrophobicContact CB-CZ 3.84Å; K625-F784 HydrophobicContact CD-CD2 4.27Å; K625-F784 HydrophobicContact CD-CG 4.25Å; K625-F784 HydrophobicContact CG-CD1 4.1Å; K625-F784 HydrophobicContact CG-CE1 4.25Å; K625-F784 HydrophobicContact CG-CG 4.29Å; K625-F784 WeakPolarHBondContact O-CE1 3.3Å; K625-F784 VanDerWaalsContact O-CZ 3.26Å; K625-F784 WeakPolarHBondContact O-CZ 3.47Å |
| 626 | T | 86.9 | Confident | 87.3 | Confident | 78 Ų | 78 | 72.7 Ų | 72.7 | 48% | 0.479 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -151.4 | 153.2 | 174.6 | 66.6 | 0 | 0 | 0 | 0 | 110.8 | G624 Q628 R629 A630 | G624-T626 PolarHBondContact O-N 3.45Å; G624-T626 VanDerWaalsContact O-N 3.14Å; T626-Q628 VanDerWaalsContact C-N 3.34Å; T626-Q628 PolarHBondContact O-N 3.14Å; T626-R629 PolarHBondContact O-N 2.82Å; T626-R629 WeakPolarHBondContact OG1-CB 3.4Å; T626-R629 PolarHBondContact OG1-N 2.69Å; T626-A630 PolarHBondContact O-N 3.22Å |
| 627 | L | 90 | Very high | 87.4 | Confident | 36 Ų | 36 | 71.3 Ų | 71.3 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -54.3 | -45.7 | 178.5 | -178.4 | 56.2 | 0 | 0 | 0 | 113.2 | R629 A630 R631 V702 H705 T706 | L627-R629 VanDerWaalsContact C-N 3.29Å; L627-R629 PolarHBondContact O-N 2.91Å; L627-A630 PolarHBondContact O-N 3.45Å; L627-R631 HydrophobicContact CD1-CG 4.11Å; L627-R631 WeakPolarHBondContact O-CB 3.45Å; L627-R631 WeakPolarHBondContact O-CG 3.42Å; L627-R631 PolarHBondContact O-N 3.09Å; L627-V702 HydrophobicContact CD1-CG1 4.4Å; L627-H705 HydrophobicContact CB-CB 3.96Å; L627-H705 HydrophobicContact CD1-CB 3.81Å; L627-H705 HydrophobicContact CG-CB 4.48Å; L627-T706 WeakPolarHBondContact CD1-OG1 3.41Å |
| 628 | Q | 85.7 | Confident | 87.6 | Confident | 171 Ų | 171 | 75.9 Ų | 75.9 | 80% | 0.799 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.5 | -37.1 | 178 | -69.5 | -176.5 | -11.7 | 0 | 0 | 112.2 | T626 G632 | T626-Q628 VanDerWaalsContact C-N 3.34Å; T626-Q628 PolarHBondContact O-N 3.14Å; Q628-G632 PolarHBondContact O-N 2.9Å |
| 629 | R | 87.1 | Confident | 87.7 | Confident | 172 Ų | 172 | 74.1 Ų | 74.1 | 65% | 0.649 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -74.5 | -41 | 179.5 | -167.2 | 167.3 | -177.7 | 162.9 | 0 | 111.5 | T626 L627 G632 L633 | T626-R629 PolarHBondContact O-N 2.82Å; T626-R629 WeakPolarHBondContact OG1-CB 3.4Å; T626-R629 PolarHBondContact OG1-N 2.69Å; L627-R629 VanDerWaalsContact C-N 3.29Å; L627-R629 PolarHBondContact O-N 2.91Å; R629-G632 WeakPolarHBondContact O-CA 3.43Å; R629-G632 PolarHBondContact O-N 3.33Å; R629-G632 VanDerWaalsContact O-N 3.15Å; R629-L633 HydrophobicContact CG-CD1 4.31Å; R629-L633 WeakPolarHBondContact O-CG 3.33Å; R629-L633 PolarHBondContact O-N 3.43Å |
| 630 | A | 91.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 67.2 Ų | 67.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -61.8 | -48.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T626 L627 G632 L633 Q634 V702 | T626-A630 PolarHBondContact O-N 3.22Å; L627-A630 PolarHBondContact O-N 3.45Å; A630-G632 PolarHBondContact O-N 3.44Å; A630-L633 PolarHBondContact O-N 3.46Å; A630-L633 VanDerWaalsContact O-N 3.14Å; A630-Q634 WeakPolarHBondContact O-CB 3.44Å; A630-Q634 PolarHBondContact O-N 3.44Å; A630-V702 HydrophobicContact CB-CG2 3.7Å |
| 631 | R | 91.9 | Very high | 88.3 | Confident | 103 Ų | 103 | 66 Ų | 66 | 39% | 0.389 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.6 | -19.6 | 173.2 | -69.3 | -176.2 | -176.6 | 176.7 | 6.5 | 113.4 | L627 R635 V702 T706 | L627-R631 HydrophobicContact CD1-CG 4.11Å; L627-R631 WeakPolarHBondContact O-CB 3.45Å; L627-R631 WeakPolarHBondContact O-CG 3.42Å; L627-R631 PolarHBondContact O-N 3.09Å; R631-R635 PolarHBondContact O-NE 3.06Å; R631-V702 HydrophobicContact CG-CB 4.48Å; R631-V702 HydrophobicContact CG-CG1 3.67Å; R631-V702 HydrophobicContact CG-CG2 3.95Å; R631-T706 PolarHBondContact NH2-OG1 3.44Å |
| 632 | G | 88.7 | Confident | 88.5 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 29% | 0.289 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -74 | -48.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q628 R629 A630 R635 S636 | Q628-G632 PolarHBondContact O-N 2.9Å; R629-G632 WeakPolarHBondContact O-CA 3.43Å; R629-G632 PolarHBondContact O-N 3.33Å; R629-G632 VanDerWaalsContact O-N 3.15Å; A630-G632 PolarHBondContact O-N 3.44Å; G632-R635 PolarHBondContact O-N 2.92Å; G632-S636 PolarHBondContact O-N 2.68Å |
| 633 | L | 91.1 | Very high | 88.8 | Confident | 31 Ų | 31 | 68.2 Ų | 68.2 | 16% | 0.162 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -64.9 | -41.8 | 178.7 | -70.9 | 157.7 | 0 | 0 | 0 | 112.2 | G622 I623 R629 A630 R635 S636 Q637 L698 | G622-L633 VanDerWaalsContact O-CD1 3.32Å; G622-L633 WeakPolarHBondContact O-CD1 3.38Å; I623-L633 VanDerWaalsContact C-CD1 3.48Å; I623-L633 WeakPolarHBondContact O-CD1 3.33Å; R629-L633 HydrophobicContact CG-CD1 4.31Å; R629-L633 WeakPolarHBondContact O-CG 3.33Å; R629-L633 PolarHBondContact O-N 3.43Å; A630-L633 PolarHBondContact O-N 3.46Å; A630-L633 VanDerWaalsContact O-N 3.14Å; L633-R635 VanDerWaalsContact C-N 3.34Å; L633-R635 PolarHBondContact O-N 3.06Å; L633-S636 WeakPolarHBondContact O-CB 3.43Å; L633-S636 PolarHBondContact O-N 3.18Å; L633-S636 VanDerWaalsContact O-N 3.13Å; L633-Q637 WeakPolarHBondContact O-CB 3.32Å; L633-Q637 PolarHBondContact O-N 3.19Å; L633-L698 HydrophobicContact CB-CD1 4.27Å; L633-L698 HydrophobicContact CB-CD2 3.68Å; L633-L698 HydrophobicContact CD1-CD2 4.41Å |
| 634 | Q | 94.1 | Very high | 88.9 | Confident | 59 Ų | 59 | 68 Ų | 68 | 28% | 0.276 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -56.5 | -44.4 | 174.9 | -170.9 | -170.7 | 34.4 | 0 | 0 | 112.1 | A630 Q637 Q638 N699 V702 | A630-Q634 WeakPolarHBondContact O-CB 3.44Å; A630-Q634 PolarHBondContact O-N 3.44Å; Q634-Q637 PolarHBondContact O-N 3.2Å; Q634-Q638 WeakPolarHBondContact O-CB 3.38Å; Q634-Q638 PolarHBondContact O-N 2.99Å; Q634-N699 PolarHBondContact NE2-OD1 3.45Å; Q634-V702 HydrophobicContact CB-CG2 4.2Å |
| 635 | R | 90.3 | Very high | 88.8 | Confident | 162 Ų | 162 | 73 Ų | 73 | 61% | 0.611 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -68.8 | -35.1 | 175.5 | -75.3 | 179.7 | -71 | 167.1 | -1.8 | 112.7 | R631 G632 L633 Q638 H639 | R631-R635 PolarHBondContact O-NE 3.06Å; G632-R635 PolarHBondContact O-N 2.92Å; L633-R635 VanDerWaalsContact C-N 3.34Å; L633-R635 PolarHBondContact O-N 3.06Å; R635-Q638 PolarHBondContact O-N 3.26Å; R635-H639 WeakPolarHBondContact O-CB 3.15Å; R635-H639 PolarHBondContact O-N 3.41Å |
| 636 | S | 90.2 | Very high | 88.8 | Confident | 48 Ų | 48 | 73.6 Ų | 73.6 | 34% | 0.336 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.5 | -41.9 | 174.4 | -173.3 | 0 | 0 | 0 | 0 | 112 | G632 L633 H639 F640 | G632-S636 PolarHBondContact O-N 2.68Å; L633-S636 WeakPolarHBondContact O-CB 3.43Å; L633-S636 PolarHBondContact O-N 3.18Å; L633-S636 VanDerWaalsContact O-N 3.13Å; S636-H639 PolarHBondContact O-N 3.13Å; S636-F640 WeakPolarHBondContact O-CB 3.48Å; S636-F640 PolarHBondContact O-N 3.31Å |
| 637 | Q | 91.7 | Very high | 88.9 | Confident | 6 Ų | 6 | 70.2 Ų | 70.2 | 3% | 0.028 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.5 | -49.4 | 172.9 | 175.3 | 67.7 | 28.9 | 0 | 0 | 111.4 | L633 Q634 H639 F640 E641 V691 L698 | L633-Q637 WeakPolarHBondContact O-CB 3.32Å; L633-Q637 PolarHBondContact O-N 3.19Å; Q634-Q637 PolarHBondContact O-N 3.2Å; Q637-H639 VanDerWaalsContact C-N 3.32Å; Q637-H639 PolarHBondContact O-N 2.89Å; Q637-F640 PolarHBondContact O-N 3.11Å; Q637-E641 WeakPolarHBondContact CG-OE1 3.32Å; Q637-E641 PolarHBondContact NE2-OE1 3.04Å; Q637-E641 PolarHBondContact O-N 3.37Å; Q637-V691 PolarHBondContact NE2-O 3.02Å; Q637-L698 HydrophobicContact CB-CD1 3.83Å; Q637-L698 HydrophobicContact CG-CD1 4.21Å |
| 638 | Q | 89.9 | Confident | 88.9 | Confident | 110 Ų | 110 | 70.9 Ų | 70.9 | 51% | 0.514 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61 | -38.6 | 178.2 | -168.9 | -174.2 | 24.6 | 0 | 0 | 112.6 | Q634 R635 N642 | Q634-Q638 WeakPolarHBondContact O-CB 3.38Å; Q634-Q638 PolarHBondContact O-N 2.99Å; R635-Q638 PolarHBondContact O-N 3.26Å; Q638-N642 PolarHBondContact O-N 3.46Å; Q638-N642 PolarHBondContact O-ND2 3.13Å |
| 639 | H | 86.7 | Confident | 88.9 | Confident | 134 Ų | 134 | 66.3 Ų | 66.3 | 62% | 0.62 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -65.5 | -45.9 | 175 | -178.2 | 63.6 | 0 | 0 | 0 | 111.7 | R635 S636 Q637 E641 N642 V643 | R635-H639 WeakPolarHBondContact O-CB 3.15Å; R635-H639 PolarHBondContact O-N 3.41Å; S636-H639 PolarHBondContact O-N 3.13Å; Q637-H639 VanDerWaalsContact C-N 3.32Å; Q637-H639 PolarHBondContact O-N 2.89Å; H639-E641 PolarHBondContact O-N 3.15Å; H639-N642 PolarHBondContact O-N 2.95Å; H639-V643 PolarHBondContact O-N 3.06Å |
| 640 | F | 92.1 | Very high | 88.9 | Confident | 17 Ų | 17 | 60.7 Ų | 60.7 | 8% | 0.075 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.2 | -43.4 | 176.5 | 168.4 | -105.4 | 0 | 0 | 0 | 112.7 | W608 F616 S636 Q637 N642 V643 A644 F687 V691 | W608-F640 HydrophobicContact CH2-CE2 4.36Å; F616-F640 HydrophobicContact CB-CD2 3.75Å; F616-F640 HydrophobicContact CB-CE1 4.4Å; F616-F640 HydrophobicContact CB-CE2 3.34Å; F616-F640 HydrophobicContact CB-CG 4.41Å; F616-F640 HydrophobicContact CB-CZ 3.68Å; F616-F640 HydrophobicContact CD1-CB 4.09Å; F616-F640 AromaticContact CD1-CD1 3.39Å; F616-F640 HydrophobicContact CD1-CD1 3.39Å; F616-F640 AromaticContact CD1-CD2 3.68Å; F616-F640 HydrophobicContact CD1-CD2 3.68Å; F616-F640 AromaticContact CD1-CE1 3.52Å; F616-F640 HydrophobicContact CD1-CE1 3.52Å; F616-F640 AromaticContact CD1-CE2 3.82Å; F616-F640 HydrophobicContact CD1-CE2 3.82Å; F616-F640 AromaticContact CD1-CG 3.44Å; F616-F640 HydrophobicContact CD1-CG 3.44Å; F616-F640 VanDerWaalsContact CD1-CG 3.44Å; F616-F640 AromaticContact CD1-CZ 3.71Å; F616-F640 HydrophobicContact CD1-CZ 3.71Å; F616-F640 HydrophobicContact CD2-CB 4.12Å; F616-F640 AromaticContact CD2-CD2 3.7Å; F616-F640 HydrophobicContact CD2-CD2 3.7Å; F616-F640 HydrophobicContact CD2-CE2 4.23Å; F616-F640 AromaticContact CD2-CG 3.94Å; F616-F640 HydrophobicContact CD2-CG 3.94Å; F616-F640 HydrophobicContact CE1-CB 3.71Å; F616-F640 AromaticContact CE1-CD1 3.52Å; F616-F640 HydrophobicContact CE1-CD1 3.52Å; F616-F640 HydrophobicContact CE1-CD2 4.21Å; F616-F640 HydrophobicContact CE1-CE1 4.09Å; F616-F640 AromaticContact CE1-CG 3.56Å; F616-F640 HydrophobicContact CE1-CG 3.56Å; F616-F640 HydrophobicContact CE2-CB 3.75Å; F616-F640 HydrophobicContact CE2-CD2 4.23Å; F616-F640 HydrophobicContact CE2-CG 4.05Å; F616-F640 HydrophobicContact CG-CB 4.29Å; F616-F640 HydrophobicContact CG-CD1 4.04Å; F616-F640 AromaticContact CG-CD2 3.41Å; F616-F640 HydrophobicContact CG-CD2 3.41Å; F616-F640 VanDerWaalsContact CG-CD2 3.41Å; F616-F640 HydrophobicContact CG-CE1 4.14Å; F616-F640 AromaticContact CG-CE2 3.53Å; F616-F640 HydrophobicContact CG-CE2 3.53Å; F616-F640 AromaticContact CG-CG 3.66Å; F616-F640 HydrophobicContact CG-CG 3.66Å; F616-F640 AromaticContact CG-CZ 3.87Å; F616-F640 HydrophobicContact CG-CZ 3.87Å; F616-F640 HydrophobicContact CZ-CB 3.53Å; F616-F640 HydrophobicContact CZ-CD1 4.26Å; F616-F640 HydrophobicContact CZ-CD2 4.47Å; F616-F640 AromaticContact CZ-CG 3.87Å; F616-F640 HydrophobicContact CZ-CG 3.87Å; S636-F640 WeakPolarHBondContact O-CB 3.48Å; S636-F640 PolarHBondContact O-N 3.31Å; Q637-F640 PolarHBondContact O-N 3.11Å; F640-N642 VanDerWaalsContact C-N 3.33Å; F640-N642 PolarHBondContact O-N 2.72Å; F640-V643 WeakPolarHBondContact O-CA 3.24Å; F640-V643 WeakPolarHBondContact O-CB 3.35Å; F640-V643 PolarHBondContact O-N 3.49Å; F640-A644 PolarHBondContact O-N 3.49Å; F640-F687 HydrophobicContact CE1-CZ 4.15Å; F640-F687 HydrophobicContact CZ-CE2 4.26Å; F640-F687 AromaticContact CZ-CZ 3.76Å; F640-F687 HydrophobicContact CZ-CZ 3.76Å; F640-V691 HydrophobicContact CE1-CG2 4.14Å |
| 641 | E | 88.9 | Confident | 89 | Confident | 17 Ų | 17 | 60.8 Ų | 60.8 | 8% | 0.079 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.3 | -36.9 | 177 | -78.2 | 179.2 | -128.4 | 0 | 0 | 113.3 | Q637 H639 V643 A644 K645 V691 R695 | Q637-E641 WeakPolarHBondContact CG-OE1 3.32Å; Q637-E641 PolarHBondContact NE2-OE1 3.04Å; Q637-E641 PolarHBondContact O-N 3.37Å; H639-E641 PolarHBondContact O-N 3.15Å; E641-V643 PolarHBondContact O-N 2.71Å; E641-A644 PolarHBondContact O-N 3.25Å; E641-A644 VanDerWaalsContact O-N 3.15Å; E641-K645 WeakPolarHBondContact O-CG 3.42Å; E641-K645 PolarHBondContact O-N 3.19Å; E641-V691 HydrophobicContact CG-CG1 3.56Å; E641-R695 IonicContact OE1-CZ 2.76Å; E641-R695 IonicContact OE1-NH1 3.6Å; E641-R695 PolarHBondContact OE1-NH1 3.12Å; E641-R695 IonicContact OE2-CZ 3.89Å; E641-R695 IonicContact OE2-NH1 3.8Å; E641-R695 PolarHBondContact OE2-NH1 2.88Å; E641-R695 IonicContact OE2-NH2 3.91Å; E641-R695 PolarHBondContact OE2-NH2 3.49Å |
| 642 | N | 84.9 | Confident | 88.8 | Confident | 91 Ų | 91 | 61.8 Ų | 61.8 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.2 | -23 | 174.2 | -74.4 | -29 | 0 | 0 | 0 | 112.8 | Q638 H639 F640 K645 | Q638-N642 PolarHBondContact O-N 3.46Å; Q638-N642 PolarHBondContact O-ND2 3.13Å; H639-N642 PolarHBondContact O-N 2.95Å; F640-N642 VanDerWaalsContact C-N 3.33Å; F640-N642 PolarHBondContact O-N 2.72Å; N642-K645 PolarHBondContact OD1-NZ 2.99Å |
| 643 | V | 87.1 | Confident | 88.9 | Confident | 69 Ų | 69 | 66.1 Ų | 66.1 | 42% | 0.418 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -79 | -44.9 | 167.3 | -174.6 | 0 | 0 | 0 | 0 | 110.8 | W608 H639 F640 E641 K645 N646 | W608-V643 HydrophobicContact CZ2-CG1 4Å; H639-V643 PolarHBondContact O-N 3.06Å; F640-V643 WeakPolarHBondContact O-CA 3.24Å; F640-V643 WeakPolarHBondContact O-CB 3.35Å; F640-V643 PolarHBondContact O-N 3.49Å; E641-V643 PolarHBondContact O-N 2.71Å; V643-K645 PolarHBondContact O-N 2.98Å; V643-N646 WeakPolarHBondContact O-CB 3.18Å; V643-N646 PolarHBondContact O-N 3.19Å; V643-N646 VanDerWaalsContact O-N 3.09Å |
| 644 | A | 89.2 | Confident | 88.9 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62.4 | -26.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114 | W608 F640 E641 N646 T647 Y648 | W608-A644 HydrophobicContact CH2-CB 4.02Å; W608-A644 HydrophobicContact CZ3-CB 4.49Å; F640-A644 PolarHBondContact O-N 3.49Å; E641-A644 PolarHBondContact O-N 3.25Å; E641-A644 VanDerWaalsContact O-N 3.15Å; A644-N646 PolarHBondContact O-N 3.37Å; A644-T647 WeakPolarHBondContact O-CA 3.16Å; A644-T647 VanDerWaalsContact O-CB 3.25Å; A644-T647 WeakPolarHBondContact O-CB 3.46Å; A644-T647 PolarHBondContact O-N 2.99Å; A644-Y648 HydrophobicContact CB-CE2 4.38Å; A644-Y648 PolarHBondContact O-N 3.19Å |
| 645 | K | 82.7 | Confident | 88.7 | Confident | 114 Ų | 114 | 63.9 Ų | 63.9 | 50% | 0.496 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -54.3 | -34.1 | 171.4 | -79.3 | 172.4 | -175.3 | 166.2 | 0 | 113.1 | E641 N642 V643 T649 | E641-K645 WeakPolarHBondContact O-CG 3.42Å; E641-K645 PolarHBondContact O-N 3.19Å; N642-K645 PolarHBondContact OD1-NZ 2.99Å; V643-K645 PolarHBondContact O-N 2.98Å; K645-T649 VanDerWaalsContact O-CB 3.32Å; K645-T649 WeakPolarHBondContact O-CB 3.37Å; K645-T649 PolarHBondContact O-N 3.3Å |
| 646 | N | 83.7 | Confident | 88.6 | Confident | 99 Ų | 99 | 59.6 Ų | 59.6 | 53% | 0.529 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -65.2 | -43.7 | 173.9 | -168.2 | 8.8 | 0 | 0 | 0 | 111.2 | V643 A644 T649 N650 | V643-N646 WeakPolarHBondContact O-CB 3.18Å; V643-N646 PolarHBondContact O-N 3.19Å; V643-N646 VanDerWaalsContact O-N 3.09Å; A644-N646 PolarHBondContact O-N 3.37Å; N646-T649 PolarHBondContact O-N 2.87Å; N646-N650 WeakPolarHBondContact O-CB 3.33Å; N646-N650 PolarHBondContact O-N 3.16Å; N646-N650 PolarHBondContact O-ND2 2.78Å; N646-N650 VanDerWaalsContact O-ND2 3.08Å; N646-N650 PolarHBondContact OD1-ND2 3.45Å |
| 647 | T | 90 | Very high | 88.3 | Confident | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.049 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 175.6 | -46 | 0 | 0 | 0 | 0 | 111.9 | V605 W608 L609 A644 N650 A651 | V605-T647 HydrophobicContact CG1-CG2 3.87Å; W608-T647 HydrophobicContact CD2-CG2 4.1Å; W608-T647 HydrophobicContact CE3-CG2 3.42Å; W608-T647 VanDerWaalsContact CE3-CG2 3.42Å; W608-T647 WeakPolarHBondContact CH2-OG1 3.35Å; W608-T647 HydrophobicContact CZ3-CG2 3.85Å; W608-T647 WeakPolarHBondContact CZ3-OG1 3.28Å; L609-T647 HydrophobicContact CD2-CG2 4.11Å; L609-T647 HydrophobicContact CG-CG2 4.31Å; A644-T647 WeakPolarHBondContact O-CA 3.16Å; A644-T647 VanDerWaalsContact O-CB 3.25Å; A644-T647 WeakPolarHBondContact O-CB 3.46Å; A644-T647 PolarHBondContact O-N 2.99Å; T647-N650 PolarHBondContact O-N 3.37Å; T647-A651 PolarHBondContact O-N 3.43Å |
| 648 | Y | 89.8 | Confident | 88 | Confident | 50 Ų | 50 | 58.7 Ų | 58.7 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.8 | -50 | 177.7 | -60.6 | -41 | 0 | 0 | 0 | 111.5 | A644 N650 A651 E652 I684 F687 A688 | A644-Y648 HydrophobicContact CB-CE2 4.38Å; A644-Y648 PolarHBondContact O-N 3.19Å; Y648-N650 VanDerWaalsContact C-N 3.25Å; Y648-N650 PolarHBondContact O-N 3.14Å; Y648-A651 PolarHBondContact O-N 2.9Å; Y648-A651 VanDerWaalsContact O-N 3.14Å; Y648-E652 PolarHBondContact O-N 3.25Å; Y648-I684 HydrophobicContact CD1-CG1 4.46Å; Y648-I684 HydrophobicContact CD1-CG2 4.07Å; Y648-I684 HydrophobicContact CE1-CG2 4.25Å; Y648-F687 AromaticContact CE1-CD1 3.9Å; Y648-F687 HydrophobicContact CE1-CD1 3.9Å; Y648-F687 HydrophobicContact CE1-CE1 4.12Å; Y648-A688 HydrophobicContact CE1-CB 4.17Å; Y648-A688 WeakPolarHBondContact OH-CA 3.45Å |
| 649 | T | 85.6 | Confident | 87.6 | Confident | 74 Ų | 74 | 59.1 Ų | 59.1 | 45% | 0.454 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -25.1 | -179 | 112.4 | 0 | 0 | 0 | 0 | 113.4 | K645 N646 K653 | K645-T649 VanDerWaalsContact O-CB 3.32Å; K645-T649 WeakPolarHBondContact O-CB 3.37Å; K645-T649 PolarHBondContact O-N 3.3Å; N646-T649 PolarHBondContact O-N 2.87Å; T649-K653 WeakPolarHBondContact O-CD 3.49Å; T649-K653 WeakPolarHBondContact O-CE 3.47Å; T649-K653 VanDerWaalsContact O-CG 3.29Å; T649-K653 WeakPolarHBondContact O-CG 3.38Å; T649-K653 PolarHBondContact O-N 3.49Å |
| 650 | N | 88.1 | Confident | 87.3 | Confident | 54 Ų | 54 | 57.4 Ų | 57.4 | 29% | 0.289 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -81.1 | -37.3 | 172.6 | -65.1 | -26.3 | 0 | 0 | 0 | 111.9 | N646 T647 Y648 K653 L654 | N646-N650 WeakPolarHBondContact O-CB 3.33Å; N646-N650 PolarHBondContact O-N 3.16Å; N646-N650 PolarHBondContact O-ND2 2.78Å; N646-N650 VanDerWaalsContact O-ND2 3.08Å; N646-N650 PolarHBondContact OD1-ND2 3.45Å; T647-N650 PolarHBondContact O-N 3.37Å; Y648-N650 VanDerWaalsContact C-N 3.25Å; Y648-N650 PolarHBondContact O-N 3.14Å; N650-K653 PolarHBondContact O-N 3.26Å; N650-K653 PolarHBondContact OD1-NZ 2.79Å; N650-L654 WeakPolarHBondContact O-CG 3.33Å; N650-L654 PolarHBondContact O-N 3.38Å |
| 651 | A | 91.5 | Very high | 86.6 | Confident | 3 Ų | 3 | 57.5 Ų | 57.5 | 3% | 0.025 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.8 | -42 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | V605 T647 Y648 K653 L654 L655 L680 I684 | V605-A651 HydrophobicContact CG1-CB 4.27Å; T647-A651 PolarHBondContact O-N 3.43Å; Y648-A651 PolarHBondContact O-N 2.9Å; Y648-A651 VanDerWaalsContact O-N 3.14Å; A651-K653 VanDerWaalsContact C-N 3.32Å; A651-K653 PolarHBondContact O-N 2.6Å; A651-L654 CarbonylContact O-C 3.58Å; A651-L654 PolarHBondContact O-N 2.89Å; A651-L655 WeakPolarHBondContact O-CG 3.48Å; A651-L655 PolarHBondContact O-N 3.29Å; A651-L680 HydrophobicContact CB-CD1 4.43Å; A651-L680 HydrophobicContact CB-CD2 4.12Å; A651-L680 HydrophobicContact CB-CG 4.38Å; A651-I684 HydrophobicContact CB-CD1 3.66Å; A651-I684 HydrophobicContact CB-CG1 4.25Å |
| 652 | E | 88.6 | Confident | 85.9 | Confident | 123 Ų | 123 | 57.3 Ų | 57.3 | 58% | 0.575 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -53.6 | -49.2 | 174.6 | -158.6 | 72.1 | -157 | 0 | 0 | 111.3 | Y648 L654 L655 V656 | Y648-E652 PolarHBondContact O-N 3.25Å; E652-L654 VanDerWaalsContact C-N 3.32Å; E652-L654 PolarHBondContact O-N 2.95Å; E652-L655 PolarHBondContact O-N 3.03Å; E652-V656 WeakPolarHBondContact O-CG2 3.32Å; E652-V656 PolarHBondContact O-N 3Å; E652-V656 VanDerWaalsContact O-N 3.07Å |
| 653 | K | 90.6 | Very high | 85.3 | Confident | 119 Ų | 119 | 57.1 Ų | 57.1 | 52% | 0.517 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.3 | -39.4 | 175 | -65.1 | 163.7 | -158.7 | 154 | 0 | 112.5 | T649 N650 A651 V656 A657 | T649-K653 WeakPolarHBondContact O-CD 3.49Å; T649-K653 WeakPolarHBondContact O-CE 3.47Å; T649-K653 VanDerWaalsContact O-CG 3.29Å; T649-K653 WeakPolarHBondContact O-CG 3.38Å; T649-K653 PolarHBondContact O-N 3.49Å; N650-K653 PolarHBondContact O-N 3.26Å; N650-K653 PolarHBondContact OD1-NZ 2.79Å; A651-K653 VanDerWaalsContact C-N 3.32Å; A651-K653 PolarHBondContact O-N 2.6Å; K653-V656 PolarHBondContact O-N 3.19Å; K653-A657 WeakPolarHBondContact O-CB 3.5Å; K653-A657 PolarHBondContact O-N 3.43Å |
| 654 | L | 91.2 | Very high | 84.3 | Confident | 18 Ų | 18 | 57.9 Ų | 57.9 | 9% | 0.094 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -71.2 | -33.5 | 179 | -70.8 | 167.7 | 0 | 0 | 0 | 112.2 | F598 D601 V602 V605 N650 A651 E652 A657 A658 L680 | F598-L654 HydrophobicContact CD2-CD2 4.09Å; F598-L654 HydrophobicContact CE2-CB 4.42Å; F598-L654 VanDerWaalsContact CE2-O 3.31Å; F598-L654 WeakPolarHBondContact CE2-O 3.41Å; D601-L654 HydrophobicContact CB-CD1 4.08Å; D601-L654 HydrophobicContact CB-CD2 3.66Å; V602-L654 HydrophobicContact CG2-CB 4.22Å; V602-L654 HydrophobicContact CG2-CD1 4.12Å; V602-L654 HydrophobicContact CG2-CD2 4.39Å; V602-L654 HydrophobicContact CG2-CG 4.48Å; V605-L654 HydrophobicContact CG2-CD1 3.79Å; N650-L654 WeakPolarHBondContact O-CG 3.33Å; N650-L654 PolarHBondContact O-N 3.38Å; A651-L654 CarbonylContact O-C 3.58Å; A651-L654 PolarHBondContact O-N 2.89Å; E652-L654 VanDerWaalsContact C-N 3.32Å; E652-L654 PolarHBondContact O-N 2.95Å; L654-A657 PolarHBondContact O-N 3.2Å; L654-A658 WeakPolarHBondContact O-CB 3.47Å; L654-A658 PolarHBondContact O-N 2.82Å; L654-L680 HydrophobicContact CB-CD2 4.11Å |
| 655 | L | 90 | Very high | 82.7 | Confident | 25 Ų | 25 | 58.9 Ų | 58.9 | 13% | 0.131 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 172.4 | -66.5 | 175.6 | 0 | 0 | 0 | 111.3 | A651 E652 A658 E659 A677 L680 R681 | A651-L655 WeakPolarHBondContact O-CG 3.48Å; A651-L655 PolarHBondContact O-N 3.29Å; E652-L655 PolarHBondContact O-N 3.03Å; L655-A658 WeakPolarHBondContact O-CB 3.48Å; L655-A658 PolarHBondContact O-N 2.67Å; L655-E659 PolarHBondContact O-N 3.27Å; L655-A677 HydrophobicContact CD2-CB 3.84Å; L655-A677 WeakPolarHBondContact CD2-O 3.25Å; L655-L680 HydrophobicContact CD2-CD2 4.26Å; L655-L680 HydrophobicContact CG-CD2 4.42Å; L655-R681 HydrophobicContact CD1-CB 4.22Å; L655-R681 HydrophobicContact CD1-CG 3.96Å; L655-R681 HydrophobicContact CD2-CB 4.18Å |
| 656 | V | 87.5 | Confident | 81.5 | Confident | 72 Ų | 72 | 57.4 Ų | 57.4 | 44% | 0.436 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 172.3 | 176.3 | 0 | 0 | 0 | 0 | 111.3 | E652 K653 A658 E659 D660 | E652-V656 WeakPolarHBondContact O-CG2 3.32Å; E652-V656 PolarHBondContact O-N 3Å; E652-V656 VanDerWaalsContact O-N 3.07Å; K653-V656 PolarHBondContact O-N 3.19Å; V656-A658 PolarHBondContact O-N 2.67Å; V656-E659 WeakPolarHBondContact O-CA 3.3Å; V656-E659 WeakPolarHBondContact O-CB 3.32Å; V656-E659 PolarHBondContact O-N 2.77Å; V656-D660 PolarHBondContact O-N 2.69Å |
| 657 | A | 84.5 | Confident | 80.1 | Confident | 34 Ų | 34 | 58.4 Ų | 58.4 | 28% | 0.281 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.1 | -26.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113 | K653 L654 L661 | K653-A657 WeakPolarHBondContact O-CB 3.5Å; K653-A657 PolarHBondContact O-N 3.43Å; L654-A657 PolarHBondContact O-N 3.2Å; A657-L661 VanDerWaalsContact O-CB 3.27Å; A657-L661 WeakPolarHBondContact O-CB 3.45Å; A657-L661 WeakPolarHBondContact O-CD1 3.25Å; A657-L661 VanDerWaalsContact O-CG 3.26Å; A657-L661 WeakPolarHBondContact O-CG 3.38Å; A657-L661 PolarHBondContact O-N 2.8Å |
| 658 | A | 85 | Confident | 78.5 | Confident | 2 Ų | 2 | 61.5 Ų | 61.5 | 2% | 0.017 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F598 L654 L655 V656 A662 V673 A677 | F598-A658 HydrophobicContact CE2-CB 3.74Å; F598-A658 HydrophobicContact CZ-CB 3.64Å; L654-A658 WeakPolarHBondContact O-CB 3.47Å; L654-A658 PolarHBondContact O-N 2.82Å; L655-A658 WeakPolarHBondContact O-CB 3.48Å; L655-A658 PolarHBondContact O-N 2.67Å; V656-A658 PolarHBondContact O-N 2.67Å; A658-A662 WeakPolarHBondContact O-CB 3.06Å; A658-A662 PolarHBondContact O-N 2.91Å; A658-V673 HydrophobicContact CB-CG1 3.71Å; A658-V673 VanDerWaalsContact O-CG1 3.24Å; A658-V673 WeakPolarHBondContact O-CG1 3.18Å; A658-A677 HydrophobicContact CB-CB 3.82Å |
| 659 | E | 81.4 | Confident | 77.1 | Confident | 119 Ų | 119 | 65.7 Ų | 65.7 | 56% | 0.556 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -66.8 | -44.7 | 174.4 | -66.6 | 175.4 | 179.6 | 0 | 0 | 110.7 | L655 V656 A662 A663 | L655-E659 PolarHBondContact O-N 3.27Å; V656-E659 WeakPolarHBondContact O-CA 3.3Å; V656-E659 WeakPolarHBondContact O-CB 3.32Å; V656-E659 PolarHBondContact O-N 2.77Å; E659-A662 PolarHBondContact O-N 3.45Å; E659-A663 WeakPolarHBondContact O-CB 3.39Å; E659-A663 PolarHBondContact O-N 2.84Å |
| 660 | D | 80.5 | Confident | 76.2 | Confident | 98 Ų | 98 | 64.4 Ų | 64.4 | 52% | 0.524 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 174.7 | -71.6 | -34.7 | 0 | 0 | 0 | 112.8 | V656 A663 T664 | V656-D660 PolarHBondContact O-N 2.69Å; D660-A663 PolarHBondContact O-N 3.39Å; D660-T664 WeakPolarHBondContact O-CB 3.43Å; D660-T664 WeakPolarHBondContact O-CG2 3.42Å; D660-T664 PolarHBondContact O-N 3.23Å; D660-T664 VanDerWaalsContact O-N 3.09Å; D660-T664 PolarHBondContact O-OG1 2.93Å |
| 661 | L | 78.9 | Confident | 75.5 | Confident | 18 Ų | 18 | 68.5 Ų | 68.5 | 9% | 0.094 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.4 | -44.2 | 177 | -83.7 | 167.4 | 0 | 0 | 0 | 112 | A594 F598 A657 A663 T664 T665 V673 | A594-L661 HydrophobicContact CB-CD2 3.85Å; F598-L661 HydrophobicContact CB-CD1 3.48Å; F598-L661 VanDerWaalsContact CB-CD1 3.48Å; F598-L661 HydrophobicContact CD1-CD1 3.94Å; F598-L661 HydrophobicContact CD2-CD1 4.28Å; F598-L661 HydrophobicContact CG-CD1 3.64Å; A657-L661 VanDerWaalsContact O-CB 3.27Å; A657-L661 WeakPolarHBondContact O-CB 3.45Å; A657-L661 WeakPolarHBondContact O-CD1 3.25Å; A657-L661 VanDerWaalsContact O-CG 3.26Å; A657-L661 WeakPolarHBondContact O-CG 3.38Å; A657-L661 PolarHBondContact O-N 2.8Å; L661-A663 VanDerWaalsContact C-N 3.32Å; L661-A663 PolarHBondContact O-N 3.24Å; L661-T664 PolarHBondContact O-N 3.33Å; L661-T664 PolarHBondContact O-OG1 2.88Å; L661-T665 WeakPolarHBondContact O-CG2 3.36Å; L661-T665 PolarHBondContact O-N 3.29Å; L661-T665 PolarHBondContact O-OG1 3.49Å; L661-V673 HydrophobicContact CB-CG1 4.24Å |
| 662 | A | 73.6 | Confident | 74.7 | Confident | 14 Ų | 14 | 73.3 Ų | 73.3 | 12% | 0.116 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.9 | -32.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A658 E659 P670 Y674 | A658-A662 WeakPolarHBondContact O-CB 3.06Å; A658-A662 PolarHBondContact O-N 2.91Å; E659-A662 PolarHBondContact O-N 3.45Å; A662-P670 HydrophobicContact CB-CB 4.06Å; A662-Y674 HydrophobicContact CB-CE1 3.87Å; A662-Y674 HydrophobicContact CB-CE2 4.17Å |
| 663 | A | 72.3 | Confident | 74.4 | Confident | 86 Ų | 86 | 67.6 Ų | 67.6 | 71% | 0.711 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -74.6 | -28.6 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | E659 D660 L661 | E659-A663 WeakPolarHBondContact O-CB 3.39Å; E659-A663 PolarHBondContact O-N 2.84Å; D660-A663 PolarHBondContact O-N 3.39Å; L661-A663 VanDerWaalsContact C-N 3.32Å; L661-A663 PolarHBondContact O-N 3.24Å |
| 664 | T | 65.5 | Low | 74.1 | Confident | 85 Ų | 85 | 67 Ų | 67 | 52% | 0.521 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -96 | -9 | -174.1 | 50.9 | 0 | 0 | 0 | 0 | 115 | Q591 D660 L661 G666 | Q591-T664 PolarHBondContact NE2-O 3.29Å; D660-T664 WeakPolarHBondContact O-CB 3.43Å; D660-T664 WeakPolarHBondContact O-CG2 3.42Å; D660-T664 PolarHBondContact O-N 3.23Å; D660-T664 VanDerWaalsContact O-N 3.09Å; D660-T664 PolarHBondContact O-OG1 2.93Å; L661-T664 PolarHBondContact O-N 3.33Å; L661-T664 PolarHBondContact O-OG1 2.88Å; T664-G666 PolarHBondContact O-N 2.89Å |
| 665 | T | 56.8 | Low | 73.7 | Confident | 21 Ų | 21 | 72.8 Ų | 72.8 | 13% | 0.129 | 40% | 0.399 | C | S | . | . | trans | -99.3 | 80.8 | -173.4 | 44.2 | 0 | 0 | 0 | 0 | 114 | L661 E667 W668 | L661-T665 WeakPolarHBondContact O-CG2 3.36Å; L661-T665 PolarHBondContact O-N 3.29Å; L661-T665 PolarHBondContact O-OG1 3.49Å; T665-E667 PolarHBondContact O-N 3.27Å; T665-W668 HydrophobicContact CG2-CB 4.24Å | ||
| 666 | G | 57.2 | Low | 73.6 | Confident | 83 Ų | 83 | 73 Ų | 73 | 86% | 0.856 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -10.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | T664 | T664-G666 PolarHBondContact O-N 2.89Š|
| 667 | E | 53.5 | Low | 73.7 | Confident | 121 Ų | 121 | 70.2 Ų | 70.2 | 57% | 0.565 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126.9 | 2.8 | -177.7 | -68.7 | -175 | 171.2 | 0 | 0 | 114.4 | K588 T665 | K588-E667 WeakPolarHBondContact CE-OE2 3.39Å; K588-E667 IonicContact NZ-OE1 2.75Å; K588-E667 PolarHBondContact NZ-OE1 2.86Å; K588-E667 IonicContact NZ-OE2 3.79Å; K588-E667 PolarHBondContact NZ-OE2 2.69Å; T665-E667 PolarHBondContact O-N 3.27Å |
| 668 | W | 56 | Low | 73.8 | Confident | 73 Ų | 73 | 75.1 Ų | 75.1 | 28% | 0.277 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -130.8 | 141.4 | -173.5 | -56.6 | 89.3 | 0 | 0 | 0 | 111.5 | L476 K592 T665 P670 | L476-W668 HydrophobicContact CD1-CH2 3.98Å; L476-W668 HydrophobicContact CD1-CZ2 3.58Å; K592-W668 HydrophobicContact CD-CE3 4.46Å; K592-W668 HydrophobicContact CD-CH2 4.32Å; K592-W668 HydrophobicContact CD-CZ3 4.25Å; T665-W668 HydrophobicContact CG2-CB 4.24Å; W668-P670 WeakPolarHBondContact O-CD 3.14Å; W668-P670 VanDerWaalsContact O-N 3.15Å |
| 669 | H | 60.9 | Low | 74.1 | Confident | 138 Ų | 138 | 79.6 Ų | 79.6 | 64% | 0.639 | 42% | 0.423 | S | S | * | . | trans | -61.1 | 109.3 | -168.6 | -52.1 | 104.5 | 0 | 0 | 0 | 113.5 | E671 E672 | H669-E671 PolarHBondContact O-N 2.92Å; H669-E672 PolarHBondContact O-N 3.04Å | ||
| 670 | P | 66.7 | Low | 74.7 | Confident | 47 Ų | 47 | 74 Ų | 74 | 31% | 0.305 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -70.2 | -22.1 | 179.4 | 29.8 | -35.5 | 0 | 0 | 0 | 112.3 | A662 W668 E672 V673 Y674 | A662-P670 HydrophobicContact CB-CB 4.06Å; W668-P670 WeakPolarHBondContact O-CD 3.14Å; W668-P670 VanDerWaalsContact O-N 3.15Å; P670-E672 VanDerWaalsContact C-N 3.3Å; P670-E672 PolarHBondContact O-N 3.33Å; P670-V673 WeakPolarHBondContact O-CB 3.32Å; P670-V673 PolarHBondContact O-N 2.97Å; P670-Y674 HydrophobicContact CB-CD2 4.26Å; P670-Y674 HydrophobicContact CB-CE2 3.92Å; P670-Y674 VanDerWaalsContact O-CD2 3.31Å; P670-Y674 WeakPolarHBondContact O-CD2 3.46Å; P670-Y674 PolarHBondContact O-N 3.41Å |
| 671 | E | 72.3 | Confident | 75.3 | Confident | 140 Ų | 140 | 76.9 Ų | 76.9 | 65% | 0.654 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -55.1 | -38.7 | 176 | -65.1 | -62.5 | 157.7 | 0 | 0 | 113.4 | H669 V673 Y674 H675 | H669-E671 PolarHBondContact O-N 2.92Å; E671-V673 VanDerWaalsContact C-N 3.32Å; E671-V673 PolarHBondContact O-N 2.97Å; E671-Y674 PolarHBondContact O-N 3.32Å; E671-H675 VanDerWaalsContact O-CB 3.28Å; E671-H675 WeakPolarHBondContact O-CB 3.28Å; E671-H675 PolarHBondContact O-N 3.22Å |
| 672 | E | 75 | Confident | 75.9 | Confident | 103 Ų | 103 | 79.4 Ų | 79.4 | 48% | 0.481 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.5 | -36.9 | 177.4 | -67.9 | -170.8 | 171.8 | 0 | 0 | 111.7 | H669 P670 T676 | H669-E672 PolarHBondContact O-N 3.04Å; P670-E672 VanDerWaalsContact C-N 3.3Å; P670-E672 PolarHBondContact O-N 3.33Å; E672-T676 VanDerWaalsContact O-CB 3.27Å; E672-T676 WeakPolarHBondContact O-CB 3.36Å; E672-T676 PolarHBondContact O-N 3.35Å; E672-T676 VanDerWaalsContact O-N 3.07Å; E672-T676 PolarHBondContact O-OG1 3.41Å |
| 673 | V | 82.8 | Confident | 76.8 | Confident | 4 Ų | 4 | 81 Ų | 81 | 2% | 0.024 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -69.2 | -47.4 | 177.7 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | L595 F598 A658 L661 P670 E671 T676 A677 | L595-V673 HydrophobicContact CD1-CG2 3.7Å; F598-V673 HydrophobicContact CE1-CG1 3.97Å; F598-V673 HydrophobicContact CZ-CG1 4.3Å; A658-V673 HydrophobicContact CB-CG1 3.71Å; A658-V673 VanDerWaalsContact O-CG1 3.24Å; A658-V673 WeakPolarHBondContact O-CG1 3.18Å; L661-V673 HydrophobicContact CB-CG1 4.24Å; P670-V673 WeakPolarHBondContact O-CB 3.32Å; P670-V673 PolarHBondContact O-N 2.97Å; E671-V673 VanDerWaalsContact C-N 3.32Å; E671-V673 PolarHBondContact O-N 2.97Å; V673-T676 PolarHBondContact O-N 3.46Å; V673-A677 WeakPolarHBondContact O-CB 3.37Å; V673-A677 PolarHBondContact O-N 2.84Å |
| 674 | Y | 83.9 | Confident | 77.8 | Confident | 106 Ų | 106 | 78.2 Ų | 78.2 | 42% | 0.416 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 176.5 | -68.6 | -48 | 0 | 0 | 0 | 113 | A662 P670 E671 T676 A677 Q678 | A662-Y674 HydrophobicContact CB-CE1 3.87Å; A662-Y674 HydrophobicContact CB-CE2 4.17Å; P670-Y674 HydrophobicContact CB-CD2 4.26Å; P670-Y674 HydrophobicContact CB-CE2 3.92Å; P670-Y674 VanDerWaalsContact O-CD2 3.31Å; P670-Y674 WeakPolarHBondContact O-CD2 3.46Å; P670-Y674 PolarHBondContact O-N 3.41Å; E671-Y674 PolarHBondContact O-N 3.32Å; Y674-T676 VanDerWaalsContact C-N 3.33Å; Y674-T676 PolarHBondContact O-N 2.83Å; Y674-A677 PolarHBondContact O-N 2.68Å; Y674-Q678 WeakPolarHBondContact O-CB 3.22Å; Y674-Q678 WeakPolarHBondContact O-CG 3.36Å; Y674-Q678 PolarHBondContact O-N 3.26Å |
| 675 | H | 84.2 | Confident | 78.9 | Confident | 140 Ų | 140 | 76.7 Ų | 76.7 | 65% | 0.648 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.6 | -42.3 | 176.3 | -177.7 | -87.8 | 0 | 0 | 0 | 111.7 | E671 Q678 H679 | E671-H675 VanDerWaalsContact O-CB 3.28Å; E671-H675 WeakPolarHBondContact O-CB 3.28Å; E671-H675 PolarHBondContact O-N 3.22Å; H675-Q678 PolarHBondContact O-N 3.24Å; H675-H679 PolarHBondContact O-N 3.13Å |
| 676 | T | 87.1 | Confident | 80.4 | Confident | 30 Ų | 30 | 79.2 Ų | 79.2 | 18% | 0.184 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 176.5 | -60 | 0 | 0 | 0 | 0 | 111.8 | F598 V602 E672 V673 Y674 H679 L680 | F598-T676 HydrophobicContact CE1-CG2 3.8Å; F598-T676 HydrophobicContact CZ-CG2 3.93Å; V602-T676 HydrophobicContact CB-CG2 4.19Å; V602-T676 HydrophobicContact CG1-CG2 3.8Å; V602-T676 HydrophobicContact CG2-CG2 4.2Å; E672-T676 VanDerWaalsContact O-CB 3.27Å; E672-T676 WeakPolarHBondContact O-CB 3.36Å; E672-T676 PolarHBondContact O-N 3.35Å; E672-T676 VanDerWaalsContact O-N 3.07Å; E672-T676 PolarHBondContact O-OG1 3.41Å; V673-T676 PolarHBondContact O-N 3.46Å; Y674-T676 VanDerWaalsContact C-N 3.33Å; Y674-T676 PolarHBondContact O-N 2.83Å; T676-H679 PolarHBondContact O-N 3.08Å; T676-L680 PolarHBondContact O-N 2.93Å |
| 677 | A | 88.7 | Confident | 82 | Confident | 12 Ų | 12 | 75.2 Ų | 75.2 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -65.2 | -42.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | L655 A658 V673 Y674 H679 L680 R681 | L655-A677 HydrophobicContact CD2-CB 3.84Å; L655-A677 WeakPolarHBondContact CD2-O 3.25Å; A658-A677 HydrophobicContact CB-CB 3.82Å; V673-A677 WeakPolarHBondContact O-CB 3.37Å; V673-A677 PolarHBondContact O-N 2.84Å; Y674-A677 PolarHBondContact O-N 2.68Å; A677-H679 PolarHBondContact O-N 3.27Å; A677-L680 PolarHBondContact O-N 2.95Å; A677-R681 WeakPolarHBondContact O-CB 3.28Å; A677-R681 PolarHBondContact O-N 3.23Å |
| 678 | Q | 87.9 | Confident | 83.8 | Confident | 137 Ų | 137 | 71.1 Ų | 71.1 | 64% | 0.64 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -62.5 | -40.9 | 176.4 | -74.7 | -177.1 | 21.4 | 0 | 0 | 112.2 | Y674 H675 R681 S682 | Y674-Q678 WeakPolarHBondContact O-CB 3.22Å; Y674-Q678 WeakPolarHBondContact O-CG 3.36Å; Y674-Q678 PolarHBondContact O-N 3.26Å; H675-Q678 PolarHBondContact O-N 3.24Å; Q678-R681 PolarHBondContact O-N 3.39Å; Q678-S682 VanDerWaalsContact O-CB 3.22Å; Q678-S682 WeakPolarHBondContact O-CB 3.41Å; Q678-S682 PolarHBondContact O-N 3.12Å |
| 679 | H | 91.2 | Very high | 85.3 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 45% | 0.449 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.9 | -45.5 | 175.9 | 179.5 | -119.2 | 0 | 0 | 0 | 112 | H675 T676 A677 R683 | H675-H679 PolarHBondContact O-N 3.13Å; T676-H679 PolarHBondContact O-N 3.08Å; A677-H679 PolarHBondContact O-N 3.27Å; H679-R683 PolarHBondContact O-N 2.88Å |
| 680 | L | 94 | Very high | 86.7 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60.4 | -51.5 | 174.9 | -179.2 | 65.5 | 0 | 0 | 0 | 111.7 | V602 V605 L606 A651 L654 L655 T676 A677 S682 R683 I684 | V602-L680 HydrophobicContact CG1-CB 4.16Å; V602-L680 HydrophobicContact CG1-CD1 4.36Å; V602-L680 HydrophobicContact CG1-CD2 4.26Å; V602-L680 HydrophobicContact CG1-CG 4.5Å; V602-L680 HydrophobicContact CG2-CD2 4.2Å; V605-L680 HydrophobicContact CB-CD1 4.23Å; V605-L680 HydrophobicContact CG1-CD1 3.78Å; L606-L680 HydrophobicContact CD2-CD1 4.17Å; L606-L680 HydrophobicContact CG-CD1 4.24Å; A651-L680 HydrophobicContact CB-CD1 4.43Å; A651-L680 HydrophobicContact CB-CD2 4.12Å; A651-L680 HydrophobicContact CB-CG 4.38Å; L654-L680 HydrophobicContact CB-CD2 4.11Å; L655-L680 HydrophobicContact CD2-CD2 4.26Å; L655-L680 HydrophobicContact CG-CD2 4.42Å; T676-L680 PolarHBondContact O-N 2.93Å; A677-L680 PolarHBondContact O-N 2.95Å; L680-S682 VanDerWaalsContact C-N 3.33Å; L680-S682 PolarHBondContact O-N 3.08Å; L680-R683 PolarHBondContact O-N 3.3Å; L680-I684 HydrophobicContact CD1-CD1 3.31Å; L680-I684 HydrophobicContact CG-CD1 3.73Å; L680-I684 VanDerWaalsContact O-CD1 3.28Å; L680-I684 WeakPolarHBondContact O-CD1 3.43Å; L680-I684 PolarHBondContact O-N 3.37Å |
| 681 | R | 93 | Very high | 87.8 | Confident | 159 Ų | 159 | 69.1 Ų | 69.1 | 60% | 0.6 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -60.6 | -41.9 | -178.3 | -158 | 178.6 | -150.7 | 175.7 | 12 | 112 | L655 A677 Q678 S685 | L655-R681 HydrophobicContact CD1-CB 4.22Å; L655-R681 HydrophobicContact CD1-CG 3.96Å; L655-R681 HydrophobicContact CD2-CB 4.18Å; A677-R681 WeakPolarHBondContact O-CB 3.28Å; A677-R681 PolarHBondContact O-N 3.23Å; Q678-R681 PolarHBondContact O-N 3.39Å; R681-S685 WeakPolarHBondContact O-CB 3.35Å; R681-S685 PolarHBondContact O-N 2.9Å; R681-S685 VanDerWaalsContact O-N 3.09Å |
| 682 | S | 90.9 | Very high | 88.6 | Confident | 72 Ų | 72 | 64.7 Ų | 64.7 | 50% | 0.503 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -57.1 | -53.1 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 111.1 | Q678 L680 S685 V686 | Q678-S682 VanDerWaalsContact O-CB 3.22Å; Q678-S682 WeakPolarHBondContact O-CB 3.41Å; Q678-S682 PolarHBondContact O-N 3.12Å; L680-S682 VanDerWaalsContact C-N 3.33Å; L680-S682 PolarHBondContact O-N 3.08Å; S682-S685 PolarHBondContact O-N 2.86Å; S682-V686 PolarHBondContact O-N 2.85Å |
| 683 | R | 93 | Very high | 89.2 | Confident | 46 Ų | 46 | 62.6 Ų | 62.6 | 17% | 0.174 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -84.6 | -16 | -173.3 | 92.3 | 160.8 | -99.3 | 76.7 | -2.5 | 117.1 | L606 D610 E614 H679 L680 F687 | L606-R683 HydrophobicContact CD2-CG 3.66Å; D610-R683 IonicContact OD1-CZ 2.99Å; D610-R683 IonicContact OD1-NE 3.11Å; D610-R683 PolarHBondContact OD1-NE 3.37Å; D610-R683 IonicContact OD1-NH2 3.33Å; D610-R683 PolarHBondContact OD1-NH2 2.88Å; E614-R683 IonicContact OE1-CZ 3.32Å; E614-R683 IonicContact OE1-NH1 3.57Å; E614-R683 PolarHBondContact OE1-NH1 3.49Å; E614-R683 IonicContact OE1-NH2 3.86Å; E614-R683 PolarHBondContact OE1-NH2 3.3Å; H679-R683 PolarHBondContact O-N 2.88Å; L680-R683 PolarHBondContact O-N 3.3Å; R683-F687 VanDerWaalsContact O-CB 3.3Å; R683-F687 WeakPolarHBondContact O-CB 3.24Å; R683-F687 PolarHBondContact O-N 3.24Å |
| 684 | I | 92.8 | Very high | 89.6 | Confident | 29 Ų | 29 | 63 Ų | 63 | 15% | 0.149 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.1 | -46.8 | 157.1 | -86.3 | 99.7 | 0 | 0 | 0 | 111.6 | V605 L609 Y648 A651 L680 V686 F687 A688 | V605-I684 HydrophobicContact CG1-CD1 4.25Å; L609-I684 HydrophobicContact CD1-CD1 3.93Å; L609-I684 HydrophobicContact CD1-CG1 4.09Å; Y648-I684 HydrophobicContact CD1-CG1 4.46Å; Y648-I684 HydrophobicContact CD1-CG2 4.07Å; Y648-I684 HydrophobicContact CE1-CG2 4.25Å; A651-I684 HydrophobicContact CB-CD1 3.66Å; A651-I684 HydrophobicContact CB-CG1 4.25Å; L680-I684 HydrophobicContact CD1-CD1 3.31Å; L680-I684 HydrophobicContact CG-CD1 3.73Å; L680-I684 VanDerWaalsContact O-CD1 3.28Å; L680-I684 WeakPolarHBondContact O-CD1 3.43Å; L680-I684 PolarHBondContact O-N 3.37Å; I684-V686 VanDerWaalsContact C-N 3.32Å; I684-V686 PolarHBondContact O-N 3.43Å; I684-F687 PolarHBondContact O-N 3.44Å; I684-F687 VanDerWaalsContact O-N 3.15Å; I684-A688 WeakPolarHBondContact O-CB 3.3Å; I684-A688 PolarHBondContact O-N 2.69Å |
| 685 | S | 89.1 | Confident | 89.9 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 36% | 0.364 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.6 | -40.8 | -177.2 | -168.6 | 0 | 0 | 0 | 0 | 112.4 | R681 S682 K689 | R681-S685 WeakPolarHBondContact O-CB 3.35Å; R681-S685 PolarHBondContact O-N 2.9Å; R681-S685 VanDerWaalsContact O-N 3.09Å; S682-S685 PolarHBondContact O-N 2.86Å; S685-K689 WeakPolarHBondContact O-CD 3.47Å; S685-K689 VanDerWaalsContact O-CG 3.31Å; S685-K689 WeakPolarHBondContact O-CG 3.28Å; S685-K689 PolarHBondContact O-N 3.26Å |
| 686 | V | 88.3 | Confident | 90.2 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 45% | 0.448 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.2 | -43.6 | 175 | 175.3 | 0 | 0 | 0 | 0 | 111.7 | S682 I684 R690 | S682-V686 PolarHBondContact O-N 2.85Å; I684-V686 VanDerWaalsContact C-N 3.32Å; I684-V686 PolarHBondContact O-N 3.43Å; V686-R690 WeakPolarHBondContact O-CG 3.13Å; V686-R690 PolarHBondContact O-N 3.43Å |
| 687 | F | 91 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -65 | -48.7 | 179.2 | 174.5 | -104.4 | 0 | 0 | 0 | 112 | W608 L609 L617 F640 Y648 R683 I684 K689 R690 V691 | W608-F687 HydrophobicContact CZ3-CZ 4.39Å; L609-F687 HydrophobicContact CD2-CB 4.34Å; L609-F687 HydrophobicContact CD2-CD1 3.49Å; L609-F687 VanDerWaalsContact CD2-CD1 3.49Å; L609-F687 HydrophobicContact CD2-CD2 4.25Å; L609-F687 HydrophobicContact CD2-CE1 3.72Å; L609-F687 HydrophobicContact CD2-CE2 4.46Å; L609-F687 HydrophobicContact CD2-CG 3.77Å; L609-F687 HydrophobicContact CD2-CZ 4.2Å; L617-F687 HydrophobicContact CD1-CD2 4Å; L617-F687 HydrophobicContact CD1-CE2 3.85Å; L617-F687 HydrophobicContact CG-CE2 4.47Å; F640-F687 HydrophobicContact CE1-CZ 4.15Å; F640-F687 HydrophobicContact CZ-CE2 4.26Å; F640-F687 AromaticContact CZ-CZ 3.76Å; F640-F687 HydrophobicContact CZ-CZ 3.76Å; Y648-F687 AromaticContact CE1-CD1 3.9Å; Y648-F687 HydrophobicContact CE1-CD1 3.9Å; Y648-F687 HydrophobicContact CE1-CE1 4.12Å; R683-F687 VanDerWaalsContact O-CB 3.3Å; R683-F687 WeakPolarHBondContact O-CB 3.24Å; R683-F687 PolarHBondContact O-N 3.24Å; I684-F687 PolarHBondContact O-N 3.44Å; I684-F687 VanDerWaalsContact O-N 3.15Å; F687-K689 VanDerWaalsContact C-N 3.35Å; F687-K689 PolarHBondContact O-N 2.98Å; F687-R690 PolarHBondContact O-N 3.07Å; F687-R690 VanDerWaalsContact O-N 3.08Å; F687-V691 HydrophobicContact CD1-CG2 4.22Å; F687-V691 HydrophobicContact CD2-CG2 4.36Å; F687-V691 HydrophobicContact CE1-CG2 3.83Å; F687-V691 HydrophobicContact CE2-CG2 3.96Å; F687-V691 HydrophobicContact CG-CG2 4.48Å; F687-V691 HydrophobicContact CZ-CG2 3.7Å; F687-V691 WeakPolarHBondContact O-CG2 3.29Å; F687-V691 PolarHBondContact O-N 3.49Å |
| 688 | A | 90.5 | Very high | 90.6 | Very high | 35 Ų | 35 | 54.2 Ų | 54.2 | 29% | 0.289 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -58.7 | -43 | 180 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y648 I684 R690 V691 Q692 | Y648-A688 HydrophobicContact CE1-CB 4.17Å; Y648-A688 WeakPolarHBondContact OH-CA 3.45Å; I684-A688 WeakPolarHBondContact O-CB 3.3Å; I684-A688 PolarHBondContact O-N 2.69Å; A688-R690 VanDerWaalsContact C-N 3.29Å; A688-R690 PolarHBondContact O-N 2.76Å; A688-V691 PolarHBondContact O-N 3.49Å; A688-Q692 PolarHBondContact O-N 2.83Å |
| 689 | K | 89 | Confident | 90.8 | Very high | 144 Ų | 144 | 49.1 Ų | 49.1 | 63% | 0.626 | 25% | 0.251 | S | S | * | . | H | α-helix | trans | -60 | -37.1 | 175.6 | -74.6 | 171.2 | -179.4 | 172.8 | 0 | 112.8 | S685 F687 A693 | S685-K689 WeakPolarHBondContact O-CD 3.47Å; S685-K689 VanDerWaalsContact O-CG 3.31Å; S685-K689 WeakPolarHBondContact O-CG 3.28Å; S685-K689 PolarHBondContact O-N 3.26Å; F687-K689 VanDerWaalsContact C-N 3.35Å; F687-K689 PolarHBondContact O-N 2.98Å; K689-A693 WeakPolarHBondContact O-CB 3.44Å; K689-A693 PolarHBondContact O-N 2.78Å |
| 690 | R | 89.1 | Confident | 90.8 | Very high | 67 Ų | 67 | 46.7 Ų | 46.7 | 25% | 0.253 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -75 | -37.3 | 177.6 | -69.2 | 174.5 | 62.2 | -139.6 | -6.4 | 112.4 | E614 L617 V686 F687 A688 Q692 R694 E774 | E614-R690 IonicContact OE1-NH1 3.36Å; E614-R690 PolarHBondContact OE1-NH1 3.32Å; E614-R690 IonicContact OE2-CZ 2.68Å; E614-R690 IonicContact OE2-NH1 3.42Å; E614-R690 PolarHBondContact OE2-NH1 2.96Å; E614-R690 IonicContact OE2-NH2 3.25Å; L617-R690 HydrophobicContact CD1-CB 4.12Å; V686-R690 WeakPolarHBondContact O-CG 3.13Å; V686-R690 PolarHBondContact O-N 3.43Å; F687-R690 PolarHBondContact O-N 3.07Å; F687-R690 VanDerWaalsContact O-N 3.08Å; A688-R690 VanDerWaalsContact C-N 3.29Å; A688-R690 PolarHBondContact O-N 2.76Å; R690-Q692 VanDerWaalsContact C-N 3.35Å; R690-R694 WeakPolarHBondContact O-CB 3.5Å; R690-R694 PolarHBondContact O-N 3.18Å; R690-E774 IonicContact CZ-OE1 2.87Å; R690-E774 IonicContact NE-OE1 3.35Å; R690-E774 PolarHBondContact NE-OE1 2.93Å; R690-E774 IonicContact NH2-OE1 2.69Å; R690-E774 PolarHBondContact NH2-OE1 3.44Å |
| 691 | V | 90.6 | Very high | 90.8 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 3% | 0.03 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 170 | 173.5 | 0 | 0 | 0 | 0 | 110.7 | L617 Q637 F640 E641 F687 A688 R694 R695 | L617-V691 HydrophobicContact CD1-CG2 4.41Å; L617-V691 HydrophobicContact CD2-CG2 4.36Å; Q637-V691 PolarHBondContact NE2-O 3.02Å; F640-V691 HydrophobicContact CE1-CG2 4.14Å; E641-V691 HydrophobicContact CG-CG1 3.56Å; F687-V691 HydrophobicContact CD1-CG2 4.22Å; F687-V691 HydrophobicContact CD2-CG2 4.36Å; F687-V691 HydrophobicContact CE1-CG2 3.83Å; F687-V691 HydrophobicContact CE2-CG2 3.96Å; F687-V691 HydrophobicContact CG-CG2 4.48Å; F687-V691 HydrophobicContact CZ-CG2 3.7Å; F687-V691 WeakPolarHBondContact O-CG2 3.29Å; F687-V691 PolarHBondContact O-N 3.49Å; A688-V691 PolarHBondContact O-N 3.49Å; V691-R694 WeakPolarHBondContact O-CB 3.5Å; V691-R694 PolarHBondContact O-N 3.23Å; V691-R695 PolarHBondContact O-N 2.99Å |
| 692 | Q | 89 | Confident | 90.8 | Very high | 46 Ų | 46 | 39.8 Ų | 39.8 | 22% | 0.215 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -72.4 | -36.8 | -178.9 | -175.6 | 56.1 | 5.9 | 0 | 0 | 113.4 | A688 R690 R694 R695 N696 E2418 | A688-Q692 PolarHBondContact O-N 2.83Å; R690-Q692 VanDerWaalsContact C-N 3.35Å; Q692-R694 PolarHBondContact O-N 3.4Å; Q692-R695 WeakPolarHBondContact O-CB 3.42Å; Q692-R695 PolarHBondContact O-N 3.26Å; Q692-N696 PolarHBondContact O-N 2.81Å; Q692-N696 VanDerWaalsContact O-N 3.08Å; Q692-E2418 VanDerWaalsContact NE2-CB 3.28Å; Q692-E2418 PolarHBondContact NE2-OE2 3.21Å |
| 693 | A | 86.8 | Confident | 91 | Very high | 60 Ų | 60 | 39.6 Ų | 39.6 | 50% | 0.496 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -58.1 | -39.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K689 N696 L697 | K689-A693 WeakPolarHBondContact O-CB 3.44Å; K689-A693 PolarHBondContact O-N 2.78Å; A693-N696 PolarHBondContact O-N 2.9Å; A693-L697 WeakPolarHBondContact O-CB 3.37Å; A693-L697 PolarHBondContact O-N 2.71Å |
| 694 | R | 90.8 | Very high | 91.1 | Very high | 11 Ų | 11 | 37.4 Ų | 37.4 | 4% | 0.042 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -69.9 | -40.2 | 178.5 | -174 | 56.7 | 178.4 | 157.4 | 3.2 | 113.4 | N620 Q621 G622 R690 V691 Q692 L698 | N620-R694 PolarHBondContact O-NE 2.95Å; N620-R694 PolarHBondContact O-NH2 3.13Å; Q621-R694 PolarHBondContact O-NH1 3.41Å; Q621-R694 PolarHBondContact O-NH2 3.13Å; Q621-R694 VanDerWaalsContact O-NH2 3.11Å; G622-R694 PolarHBondContact O-NH2 3.26Å; R690-R694 WeakPolarHBondContact O-CB 3.5Å; R690-R694 PolarHBondContact O-N 3.18Å; V691-R694 WeakPolarHBondContact O-CB 3.5Å; V691-R694 PolarHBondContact O-N 3.23Å; Q692-R694 PolarHBondContact O-N 3.4Å; R694-L698 HydrophobicContact CG-CD1 4.3Å; R694-L698 PolarHBondContact O-N 3.41Å; R694-L698 VanDerWaalsContact O-N 3.12Å |
| 695 | R | 92.1 | Very high | 91.2 | Very high | 50 Ų | 50 | 36.2 Ų | 36.2 | 19% | 0.189 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -51.5 | -54.5 | 168.1 | 160.9 | 90.9 | 109.1 | -114.3 | -19.7 | 110.5 | E641 V691 Q692 L698 N699 E2418 | E641-R695 IonicContact OE1-CZ 2.76Å; E641-R695 IonicContact OE1-NH1 3.6Å; E641-R695 PolarHBondContact OE1-NH1 3.12Å; E641-R695 IonicContact OE2-CZ 3.89Å; E641-R695 IonicContact OE2-NH1 3.8Å; E641-R695 PolarHBondContact OE2-NH1 2.88Å; E641-R695 IonicContact OE2-NH2 3.91Å; E641-R695 PolarHBondContact OE2-NH2 3.49Å; V691-R695 PolarHBondContact O-N 2.99Å; Q692-R695 WeakPolarHBondContact O-CB 3.42Å; Q692-R695 PolarHBondContact O-N 3.26Å; R695-L698 PolarHBondContact O-N 3.06Å; R695-N699 WeakPolarHBondContact O-CB 3.35Å; R695-N699 VanDerWaalsContact O-CG 3.3Å; R695-N699 PolarHBondContact O-N 3.37Å; R695-N699 PolarHBondContact O-ND2 2.98Å; R695-E2418 IonicContact CZ-OE1 3.38Å; R695-E2418 IonicContact NE-OE1 3.49Å; R695-E2418 PolarHBondContact NE-OE1 3.08Å; R695-E2418 IonicContact NE-OE2 2.7Å; R695-E2418 PolarHBondContact NE-OE2 3.11Å; R695-E2418 IonicContact NH2-OE1 3.24Å; R695-E2418 PolarHBondContact NH2-OE1 3.02Å |
| 696 | N | 90.6 | Very high | 91.4 | Very high | 45 Ų | 45 | 34.6 Ų | 34.6 | 24% | 0.241 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | -175.4 | -78.9 | -29.7 | 0 | 0 | 0 | 112.5 | Q692 A693 L698 N699 F700 K2417 | Q692-N696 PolarHBondContact O-N 2.81Å; Q692-N696 VanDerWaalsContact O-N 3.08Å; A693-N696 PolarHBondContact O-N 2.9Å; N696-L698 PolarHBondContact O-N 2.63Å; N696-N699 PolarHBondContact O-N 3.28Å; N696-F700 WeakPolarHBondContact O-CD2 3.49Å; N696-F700 PolarHBondContact O-N 3.04Å; N696-K2417 WeakPolarHBondContact OD1-CD 3.34Å |
| 697 | L | 90.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 33.7 Ų | 33.7 | 3% | 0.031 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -59.1 | -42.3 | 177.1 | 179 | 64.2 | 0 | 0 | 0 | 112.8 | I623 A693 S701 L763 L766 L767 | I623-L697 HydrophobicContact CG2-CD1 4Å; I623-L697 HydrophobicContact CG2-CD2 3.86Å; I623-L697 HydrophobicContact CG2-CG 3.65Å; A693-L697 WeakPolarHBondContact O-CB 3.37Å; A693-L697 PolarHBondContact O-N 2.71Å; L697-S701 PolarHBondContact O-N 2.94Å; L697-S701 VanDerWaalsContact O-N 3.11Å; L697-L763 HydrophobicContact CD1-CD1 3.79Å; L697-L766 HydrophobicContact CD1-CB 3.78Å; L697-L767 HydrophobicContact CD1-CD2 3.98Å; L697-L767 HydrophobicContact CD1-CG 4.02Å; L697-L767 HydrophobicContact CD2-CD2 4.36Å |
| 698 | L | 91.6 | Very high | 91.8 | Very high | 3 Ų | 3 | 34.7 Ų | 34.7 | 2% | 0.016 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -70.1 | -36.4 | 176.8 | -75.2 | 172.9 | 0 | 0 | 0 | 112.7 | L633 Q637 R694 R695 N696 S701 V702 | L633-L698 HydrophobicContact CB-CD1 4.27Å; L633-L698 HydrophobicContact CB-CD2 3.68Å; L633-L698 HydrophobicContact CD1-CD2 4.41Å; Q637-L698 HydrophobicContact CB-CD1 3.83Å; Q637-L698 HydrophobicContact CG-CD1 4.21Å; R694-L698 HydrophobicContact CG-CD1 4.3Å; R694-L698 PolarHBondContact O-N 3.41Å; R694-L698 VanDerWaalsContact O-N 3.12Å; R695-L698 PolarHBondContact O-N 3.06Å; N696-L698 PolarHBondContact O-N 2.63Å; L698-S701 PolarHBondContact O-N 2.94Å; L698-V702 WeakPolarHBondContact O-CG2 3.2Å; L698-V702 PolarHBondContact O-N 2.82Å |
| 699 | N | 92.7 | Very high | 91.8 | Very high | 30 Ų | 30 | 37.1 Ų | 37.1 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.9 | -47.4 | 175.8 | -76.3 | -21.6 | 0 | 0 | 0 | 111.7 | Q634 R695 N696 S701 V702 L703 K2417 | Q634-N699 PolarHBondContact NE2-OD1 3.45Å; R695-N699 WeakPolarHBondContact O-CB 3.35Å; R695-N699 VanDerWaalsContact O-CG 3.3Å; R695-N699 PolarHBondContact O-N 3.37Å; R695-N699 PolarHBondContact O-ND2 2.98Å; N696-N699 PolarHBondContact O-N 3.28Å; N699-S701 VanDerWaalsContact C-N 3.32Å; N699-S701 PolarHBondContact O-N 3.41Å; N699-V702 PolarHBondContact O-N 3.22Å; N699-L703 WeakPolarHBondContact O-CB 3.46Å; N699-L703 PolarHBondContact O-N 3.37Å; N699-K2417 WeakPolarHBondContact ND2-CE 3.45Å |
| 700 | F | 92.2 | Very high | 91.9 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 21% | 0.206 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.7 | -38.2 | 174.1 | -85.7 | -76.6 | 0 | 0 | 0 | 112.4 | N696 V702 L703 F704 Q762 L763 L766 | N696-F700 WeakPolarHBondContact O-CD2 3.49Å; N696-F700 PolarHBondContact O-N 3.04Å; F700-V702 VanDerWaalsContact C-N 3.32Å; F700-V702 PolarHBondContact O-N 3.38Å; F700-L703 PolarHBondContact O-N 2.9Å; F700-F704 WeakPolarHBondContact O-CB 3.43Å; F700-F704 PolarHBondContact O-N 3.08Å; F700-Q762 HydrophobicContact CD1-CB 4.35Å; F700-Q762 HydrophobicContact CE1-CB 4.12Å; F700-L763 HydrophobicContact CB-CD1 4.25Å; F700-L766 HydrophobicContact CB-CD1 4.31Å; F700-L766 HydrophobicContact CD2-CD1 3.43Å; F700-L766 VanDerWaalsContact CD2-CD1 3.43Å; F700-L766 HydrophobicContact CE2-CD1 3.94Å; F700-L766 HydrophobicContact CG-CD1 4.02Å |
| 701 | S | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -66.9 | -29.2 | 175.3 | -173.8 | 0 | 0 | 0 | 0 | 113.9 | L697 L698 N699 H705 | L697-S701 PolarHBondContact O-N 2.94Å; L697-S701 VanDerWaalsContact O-N 3.11Å; L698-S701 PolarHBondContact O-N 2.94Å; N699-S701 VanDerWaalsContact C-N 3.32Å; N699-S701 PolarHBondContact O-N 3.41Å; S701-H705 VanDerWaalsContact O-CB 3.29Å; S701-H705 WeakPolarHBondContact O-CB 3.28Å; S701-H705 PolarHBondContact O-CD2 2.88Å; S701-H705 PolarHBondContact O-N 3.5Å |
| 702 | V | 93.4 | Very high | 91.9 | Very high | 14 Ų | 14 | 32.8 Ų | 32.8 | 9% | 0.085 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -77.7 | -37.5 | 173.9 | 169.7 | 0 | 0 | 0 | 0 | 111.2 | L627 A630 R631 Q634 L698 N699 F700 T706 | L627-V702 HydrophobicContact CD1-CG1 4.4Å; A630-V702 HydrophobicContact CB-CG2 3.7Å; R631-V702 HydrophobicContact CG-CB 4.48Å; R631-V702 HydrophobicContact CG-CG1 3.67Å; R631-V702 HydrophobicContact CG-CG2 3.95Å; Q634-V702 HydrophobicContact CB-CG2 4.2Å; L698-V702 WeakPolarHBondContact O-CG2 3.2Å; L698-V702 PolarHBondContact O-N 2.82Å; N699-V702 PolarHBondContact O-N 3.22Å; F700-V702 VanDerWaalsContact C-N 3.32Å; F700-V702 PolarHBondContact O-N 3.38Å; V702-T706 WeakPolarHBondContact O-CB 3.46Å; V702-T706 PolarHBondContact O-N 3.07Å; V702-T706 VanDerWaalsContact O-N 3.1Å; V702-T706 PolarHBondContact O-OG1 2.98Å |
| 703 | L | 93.9 | Very high | 91.7 | Very high | 68 Ų | 68 | 32.7 Ų | 32.7 | 36% | 0.356 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -63.8 | -58.7 | 178.5 | -168.4 | 68 | 0 | 0 | 0 | 111 | N699 F700 H705 T706 H707 E759 | N699-L703 WeakPolarHBondContact O-CB 3.46Å; N699-L703 PolarHBondContact O-N 3.37Å; F700-L703 PolarHBondContact O-N 2.9Å; L703-H705 VanDerWaalsContact C-N 3.34Å; L703-H705 PolarHBondContact O-N 3.36Å; L703-T706 WeakPolarHBondContact O-CA 3.21Å; L703-T706 WeakPolarHBondContact O-CB 3.41Å; L703-T706 PolarHBondContact O-N 3.49Å; L703-H707 VanDerWaalsContact CD1-CE1 3.42Å; L703-H707 WeakPolarHBondContact CD1-CE1 3.34Å; L703-H707 PolarHBondContact O-N 3.38Å; L703-H707 VanDerWaalsContact O-N 3.07Å; L703-E759 HydrophobicContact CD2-CG 4.01Å; L703-E759 WeakPolarHBondContact CD2-OE1 3.46Å; L703-E759 HydrophobicContact CG-CG 4.45Å |
| 704 | F | 96.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.4 | -46 | 178.9 | 176.2 | -112 | 0 | 0 | 0 | 112.5 | F700 T706 F708 T756 E759 G760 L763 V785 M788 I789 | F700-F704 WeakPolarHBondContact O-CB 3.43Å; F700-F704 PolarHBondContact O-N 3.08Å; F704-T706 PolarHBondContact O-N 3.22Å; F704-F708 WeakPolarHBondContact O-CB 3.42Å; F704-F708 PolarHBondContact O-N 3.02Å; F704-T756 HydrophobicContact CD2-CG2 4.08Å; F704-T756 VanDerWaalsContact CD2-O 3.25Å; F704-T756 WeakPolarHBondContact CD2-O 3.48Å; F704-T756 HydrophobicContact CE2-CG2 3.95Å; F704-T756 WeakPolarHBondContact CE2-O 3.38Å; F704-E759 HydrophobicContact CB-CB 4.2Å; F704-E759 HydrophobicContact CD2-CB 4.22Å; F704-G760 VanDerWaalsContact CD2-CA 3.49Å; F704-G760 VanDerWaalsContact CD2-N 3.34Å; F704-G760 VanDerWaalsContact CE2-CA 3.5Å; F704-L763 HydrophobicContact CB-CD2 4.23Å; F704-L763 HydrophobicContact CD1-CD2 3.94Å; F704-L763 HydrophobicContact CG-CD2 4.34Å; F704-V785 HydrophobicContact CD1-CG1 4.31Å; F704-V785 HydrophobicContact CE1-CB 4.47Å; F704-V785 HydrophobicContact CE1-CG1 3.78Å; F704-V785 HydrophobicContact CE1-CG2 4.4Å; F704-V785 HydrophobicContact CZ-CG1 4.07Å; F704-M788 HydrophobicContact CD1-CE 4.29Å; F704-M788 HydrophobicContact CE1-CB 3.95Å; F704-M788 HydrophobicContact CE1-CE 3.6Å; F704-M788 HydrophobicContact CE1-SD 3.84Å; F704-M788 HydrophobicContact CZ-CB 3.74Å; F704-M788 HydrophobicContact CZ-CE 4.16Å; F704-I789 HydrophobicContact CE2-CG1 4.38Å; F704-I789 HydrophobicContact CZ-CG1 4.24Å |
| 705 | H | 94 | Very high | 91.2 | Very high | 3 Ų | 3 | 35.9 Ų | 35.9 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -69.3 | -15.7 | 176.8 | -72.4 | -21.3 | 0 | 0 | 0 | 113.7 | G624 L627 S701 L703 N709 | G624-H705 PolarHBondContact O-NE2 2.89Å; L627-H705 HydrophobicContact CB-CB 3.96Å; L627-H705 HydrophobicContact CD1-CB 3.81Å; L627-H705 HydrophobicContact CG-CB 4.48Å; S701-H705 VanDerWaalsContact O-CB 3.29Å; S701-H705 WeakPolarHBondContact O-CB 3.28Å; S701-H705 PolarHBondContact O-CD2 2.88Å; S701-H705 PolarHBondContact O-N 3.5Å; L703-H705 VanDerWaalsContact C-N 3.34Å; L703-H705 PolarHBondContact O-N 3.36Å; H705-N709 PolarHBondContact O-ND2 3.22Å |
| 706 | T | 92.5 | Very high | 90.7 | Very high | 18 Ų | 18 | 36.4 Ų | 36.4 | 11% | 0.11 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -79.9 | -60.3 | 172.4 | -57.9 | 0 | 0 | 0 | 0 | 108.6 | L627 R631 V702 L703 F704 F708 N709 E710 | L627-T706 WeakPolarHBondContact CD1-OG1 3.41Å; R631-T706 PolarHBondContact NH2-OG1 3.44Å; V702-T706 WeakPolarHBondContact O-CB 3.46Å; V702-T706 PolarHBondContact O-N 3.07Å; V702-T706 VanDerWaalsContact O-N 3.1Å; V702-T706 PolarHBondContact O-OG1 2.98Å; L703-T706 WeakPolarHBondContact O-CA 3.21Å; L703-T706 WeakPolarHBondContact O-CB 3.41Å; L703-T706 PolarHBondContact O-N 3.49Å; F704-T706 PolarHBondContact O-N 3.22Å; T706-F708 PolarHBondContact O-N 3.25Å; T706-N709 PolarHBondContact O-N 3.43Å; T706-N709 VanDerWaalsContact O-N 3.09Å; T706-E710 WeakPolarHBondContact CG2-OE1 3.26Å; T706-E710 PolarHBondContact O-N 3.19Å; T706-E710 VanDerWaalsContact O-N 3.14Å |
| 707 | H | 93.7 | Very high | 89.9 | Confident | 56 Ų | 56 | 38.1 Ų | 38.1 | 26% | 0.259 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -62.3 | -36.6 | -176.5 | -58.4 | 155.6 | 0 | 0 | 0 | 113.4 | L703 N709 E710 I711 T756 E759 | L703-H707 VanDerWaalsContact CD1-CE1 3.42Å; L703-H707 WeakPolarHBondContact CD1-CE1 3.34Å; L703-H707 PolarHBondContact O-N 3.38Å; L703-H707 VanDerWaalsContact O-N 3.07Å; H707-N709 VanDerWaalsContact C-N 3.35Å; H707-N709 PolarHBondContact O-N 2.89Å; H707-E710 IonicContact CD2-OE2 3.6Å; H707-E710 PolarHBondContact O-N 2.89Å; H707-I711 WeakPolarHBondContact O-CB 3.44Å; H707-I711 WeakPolarHBondContact O-CG2 3.29Å; H707-I711 PolarHBondContact O-N 3.38Å; H707-T756 HydrophobicContact CB-CG2 4.37Å; H707-E759 IonicContact CE1-OE1 3.72Å; H707-E759 PolarHBondContact CE1-OE1 3.04Å; H707-E759 IonicContact CE1-OE2 2.86Å; H707-E759 IonicContact CG-OE2 3.23Å; H707-E759 IonicContact ND1-OE1 2.62Å; H707-E759 PolarHBondContact ND1-OE1 3Å; H707-E759 IonicContact ND1-OE2 2.69Å; H707-E759 PolarHBondContact ND1-OE2 3Å |
| 708 | F | 94.8 | Very high | 89.1 | Confident | 21 Ų | 21 | 39.4 Ų | 39.4 | 9% | 0.092 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -58.3 | -43.3 | 173.9 | 176 | -85.5 | 0 | 0 | 0 | 112.7 | F704 T706 M712 T756 M788 V792 | F704-F708 WeakPolarHBondContact O-CB 3.42Å; F704-F708 PolarHBondContact O-N 3.02Å; T706-F708 PolarHBondContact O-N 3.25Å; F708-M712 HydrophobicContact CD1-CG 4.31Å; F708-M712 HydrophobicContact CD2-CG 4.4Å; F708-M712 HydrophobicContact CE1-CG 4.02Å; F708-M712 HydrophobicContact CE2-CG 4.11Å; F708-M712 HydrophobicContact CG-CG 4.5Å; F708-M712 HydrophobicContact CZ-CG 3.92Å; F708-M712 VanDerWaalsContact O-CB 3.26Å; F708-M712 WeakPolarHBondContact O-CB 3.43Å; F708-M712 WeakPolarHBondContact O-CG 3.43Å; F708-M712 PolarHBondContact O-N 3.06Å; F708-M712 VanDerWaalsContact O-N 3.09Å; F708-T756 HydrophobicContact CB-CG2 4.03Å; F708-M788 HydrophobicContact CB-CE 3.94Å; F708-M788 HydrophobicContact CD1-CE 3.41Å; F708-M788 VanDerWaalsContact CD1-CE 3.41Å; F708-M788 HydrophobicContact CD2-CB 4.1Å; F708-M788 HydrophobicContact CD2-CE 3.65Å; F708-M788 HydrophobicContact CE1-CE 3.75Å; F708-M788 HydrophobicContact CE2-CB 3.79Å; F708-M788 HydrophobicContact CE2-CE 3.96Å; F708-M788 HydrophobicContact CE2-CG 4.15Å; F708-M788 WeakPolarHBondContact CE2-O 3.39Å; F708-M788 HydrophobicContact CG-CE 3.36Å; F708-M788 HydrophobicContact CZ-CB 4.38Å; F708-M788 HydrophobicContact CZ-CE 4Å; F708-M788 HydrophobicContact CZ-CG 4.25Å; F708-V792 HydrophobicContact CD2-CG2 3.64Å; F708-V792 HydrophobicContact CE2-CG2 3.8Å |
| 709 | N | 90.9 | Very high | 88.2 | Confident | 86 Ų | 86 | 42.9 Ų | 42.9 | 46% | 0.46 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -72.8 | -35.7 | -179.4 | -78.8 | -70.2 | 0 | 0 | 0 | 111.6 | H705 T706 H707 A713 | H705-N709 PolarHBondContact O-ND2 3.22Å; T706-N709 PolarHBondContact O-N 3.43Å; T706-N709 VanDerWaalsContact O-N 3.09Å; H707-N709 VanDerWaalsContact C-N 3.35Å; H707-N709 PolarHBondContact O-N 2.89Å; N709-A713 WeakPolarHBondContact O-CB 3.2Å; N709-A713 PolarHBondContact O-N 2.96Å; N709-A713 VanDerWaalsContact O-N 3.15Å |
| 710 | E | 90 | Very high | 87.2 | Confident | 90 Ų | 90 | 50.1 Ų | 50.1 | 42% | 0.421 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -68.1 | -47.3 | 177.8 | -71.8 | 162.8 | 178.1 | 0 | 0 | 111.3 | T706 H707 A713 W714 | T706-E710 WeakPolarHBondContact CG2-OE1 3.26Å; T706-E710 PolarHBondContact O-N 3.19Å; T706-E710 VanDerWaalsContact O-N 3.14Å; H707-E710 IonicContact CD2-OE2 3.6Å; H707-E710 PolarHBondContact O-N 2.89Å; E710-A713 WeakPolarHBondContact O-CB 3.34Å; E710-A713 PolarHBondContact O-N 3.27Å; E710-W714 PolarHBondContact O-N 3.43Å |
| 711 | I | 90.9 | Very high | 85.9 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.3 | -37.5 | -179.5 | -159 | 176.5 | 0 | 0 | 0 | 113.1 | H707 A713 W714 M715 A752 T753 T756 | H707-I711 WeakPolarHBondContact O-CB 3.44Å; H707-I711 WeakPolarHBondContact O-CG2 3.29Å; H707-I711 PolarHBondContact O-N 3.38Å; I711-A713 PolarHBondContact O-N 2.84Å; I711-W714 PolarHBondContact O-N 2.89Å; I711-M715 HydrophobicContact CD1-CE 4.06Å; I711-M715 HydrophobicContact CG1-CE 4.26Å; I711-M715 HydrophobicContact CG1-CG 4.49Å; I711-M715 HydrophobicContact CG1-SD 4.49Å; I711-M715 WeakPolarHBondContact O-CB 3.46Å; I711-M715 WeakPolarHBondContact O-CG 3.4Å; I711-M715 PolarHBondContact O-N 2.91Å; I711-A752 VanDerWaalsContact CD1-C 3.45Å; I711-A752 HydrophobicContact CD1-CB 3.68Å; I711-A752 HydrophobicContact CG1-CB 4.24Å; I711-T753 WeakPolarHBondContact CD1-OG1 3.18Å; I711-T756 HydrophobicContact CG2-CG2 4.5Å |
| 712 | M | 88.5 | Confident | 84.2 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 16% | 0.163 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.1 | -30.2 | 174 | -70.9 | -66.2 | -73.3 | 0 | 0 | 111.2 | F708 N716 K795 | F708-M712 HydrophobicContact CD1-CG 4.31Å; F708-M712 HydrophobicContact CD2-CG 4.4Å; F708-M712 HydrophobicContact CE1-CG 4.02Å; F708-M712 HydrophobicContact CE2-CG 4.11Å; F708-M712 HydrophobicContact CG-CG 4.5Å; F708-M712 HydrophobicContact CZ-CG 3.92Å; F708-M712 VanDerWaalsContact O-CB 3.26Å; F708-M712 WeakPolarHBondContact O-CB 3.43Å; F708-M712 WeakPolarHBondContact O-CG 3.43Å; F708-M712 PolarHBondContact O-N 3.06Å; F708-M712 VanDerWaalsContact O-N 3.09Å; M712-N716 WeakPolarHBondContact O-CB 3.43Å; M712-N716 PolarHBondContact O-N 3.13Å; M712-N716 VanDerWaalsContact O-N 3.15Å; M712-N716 PolarHBondContact O-ND2 3.11Å; M712-K795 HydrophobicContact CE-CG 4.26Å; M712-K795 HydrophobicContact SD-CG 4.23Å |
| 713 | A | 85.3 | Confident | 82.2 | Confident | 44 Ų | 44 | 59.5 Ų | 59.5 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67.5 | -49 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | N709 E710 I711 M715 N716 D717 | N709-A713 WeakPolarHBondContact O-CB 3.2Å; N709-A713 PolarHBondContact O-N 2.96Å; N709-A713 VanDerWaalsContact O-N 3.15Å; E710-A713 WeakPolarHBondContact O-CB 3.34Å; E710-A713 PolarHBondContact O-N 3.27Å; I711-A713 PolarHBondContact O-N 2.84Å; A713-M715 PolarHBondContact O-N 3.28Å; A713-N716 PolarHBondContact O-N 3.2Å; A713-N716 VanDerWaalsContact O-N 3.15Å; A713-D717 PolarHBondContact O-N 3.24Å |
| 714 | W | 82.8 | Confident | 80.4 | Confident | 138 Ų | 138 | 61.4 Ų | 61.4 | 52% | 0.523 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.2 | -46.2 | 177.9 | -63.3 | -8.7 | 0 | 0 | 0 | 112.4 | E710 I711 N716 D717 L718 A752 | E710-W714 PolarHBondContact O-N 3.43Å; I711-W714 PolarHBondContact O-N 2.89Å; W714-N716 VanDerWaalsContact C-N 3.33Å; W714-N716 PolarHBondContact O-N 2.92Å; W714-D717 PolarHBondContact O-N 3.09Å; W714-L718 WeakPolarHBondContact O-CG 3.47Å; W714-L718 PolarHBondContact O-N 2.93Å; W714-A752 HydrophobicContact CE3-CB 4.46Å; W714-A752 HydrophobicContact CZ3-CB 3.9Å |
| 715 | M | 84.1 | Confident | 78.6 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -39.6 | 175.8 | -74.7 | 178.3 | 169.8 | 0 | 0 | 112.2 | I711 A713 D717 L718 E719 T749 T753 K795 Q796 F799 | I711-M715 HydrophobicContact CD1-CE 4.06Å; I711-M715 HydrophobicContact CG1-CE 4.26Å; I711-M715 HydrophobicContact CG1-CG 4.49Å; I711-M715 HydrophobicContact CG1-SD 4.49Å; I711-M715 WeakPolarHBondContact O-CB 3.46Å; I711-M715 WeakPolarHBondContact O-CG 3.4Å; I711-M715 PolarHBondContact O-N 2.91Å; A713-M715 PolarHBondContact O-N 3.28Å; M715-D717 VanDerWaalsContact C-N 3.33Å; M715-D717 PolarHBondContact O-N 2.84Å; M715-L718 PolarHBondContact O-N 3.34Å; M715-E719 PolarHBondContact O-N 3.12Å; M715-T749 HydrophobicContact CE-CG2 3.88Å; M715-T749 HydrophobicContact CG-CG2 4.1Å; M715-T753 HydrophobicContact CE-CG2 4.49Å; M715-T753 VanDerWaalsContact CE-OG1 3.27Å; M715-T753 WeakPolarHBondContact CE-OG1 3.34Å; M715-K795 HydrophobicContact CB-CD 4.35Å; M715-K795 HydrophobicContact SD-CB 3.67Å; M715-K795 HydrophobicContact SD-CD 4.35Å; M715-K795 HydrophobicContact SD-CG 4.41Å; M715-Q796 HydrophobicContact CE-CB 4.43Å; M715-F799 HydrophobicContact CB-CE2 3.85Å; M715-F799 HydrophobicContact CB-CZ 4.48Å; M715-F799 HydrophobicContact CG-CD2 4.3Å; M715-F799 HydrophobicContact CG-CE2 4.11Å; M715-F799 VanDerWaalsContact O-CZ 3.25Å; M715-F799 WeakPolarHBondContact O-CZ 3.46Å |
| 716 | N | 81.2 | Confident | 76.9 | Confident | 61 Ų | 61 | 67.6 Ų | 67.6 | 33% | 0.326 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.7 | -25.2 | 177.2 | -68.7 | -19.6 | 0 | 0 | 0 | 113.3 | M712 A713 W714 R720 K795 | M712-N716 WeakPolarHBondContact O-CB 3.43Å; M712-N716 PolarHBondContact O-N 3.13Å; M712-N716 VanDerWaalsContact O-N 3.15Å; M712-N716 PolarHBondContact O-ND2 3.11Å; A713-N716 PolarHBondContact O-N 3.2Å; A713-N716 VanDerWaalsContact O-N 3.15Å; W714-N716 VanDerWaalsContact C-N 3.33Å; W714-N716 PolarHBondContact O-N 2.92Å; N716-R720 WeakPolarHBondContact O-CG 3.42Å; N716-K795 PolarHBondContact OD1-NZ 3.45Å |
| 717 | D | 75.1 | Confident | 75.6 | Confident | 80 Ų | 80 | 71.9 Ų | 71.9 | 43% | 0.428 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -83.8 | -30.6 | 173.2 | -78.8 | -28.7 | 0 | 0 | 0 | 113 | A713 W714 M715 E719 R720 T721 | A713-D717 PolarHBondContact O-N 3.24Å; W714-D717 PolarHBondContact O-N 3.09Å; M715-D717 VanDerWaalsContact C-N 3.33Å; M715-D717 PolarHBondContact O-N 2.84Å; D717-E719 VanDerWaalsContact C-N 3.33Å; D717-R720 WeakPolarHBondContact O-CB 3.38Å; D717-R720 PolarHBondContact O-N 3.48Å; D717-R720 VanDerWaalsContact O-N 3.13Å; D717-R720 WeakPolarHBondContact OD1-CD 3.36Å; D717-R720 IonicContact OD1-CZ 2.73Å; D717-R720 IonicContact OD1-NE 3.15Å; D717-R720 IonicContact OD1-NH1 3.32Å; D717-R720 PolarHBondContact OD1-NH1 2.89Å; D717-T721 PolarHBondContact O-N 3.28Å; D717-T721 PolarHBondContact O-OG1 3.31Å |
| 718 | L | 73.8 | Confident | 74.4 | Confident | 34 Ų | 34 | 69.3 Ų | 69.3 | 18% | 0.178 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 167.5 | -70.9 | 170.8 | 0 | 0 | 0 | 111.3 | W714 M715 R720 T721 T749 F799 W803 | W714-L718 WeakPolarHBondContact O-CG 3.47Å; W714-L718 PolarHBondContact O-N 2.93Å; M715-L718 PolarHBondContact O-N 3.34Å; L718-R720 PolarHBondContact O-N 3.43Å; L718-T721 WeakPolarHBondContact CA-OG1 3.44Å; L718-T721 PolarHBondContact O-N 3.42Å; L718-T721 PolarHBondContact O-OG1 3.36Å; L718-T749 HydrophobicContact CD1-CG2 4.2Å; L718-F799 HydrophobicContact CB-CE1 3.81Å; L718-F799 HydrophobicContact CB-CZ 3.97Å; L718-W803 HydrophobicContact CD1-CZ2 4.31Å |
| 719 | E | 72.5 | Confident | 73.3 | Confident | 76 Ų | 76 | 68.8 Ų | 68.8 | 36% | 0.355 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -59.6 | -22.6 | 172.2 | -108.1 | 157.1 | -135.8 | 0 | 0 | 113.9 | M715 D717 K795 F799 | M715-E719 PolarHBondContact O-N 3.12Å; D717-E719 VanDerWaalsContact C-N 3.33Å; E719-K795 IonicContact OE1-NZ 2.83Å; E719-K795 PolarHBondContact OE1-NZ 3.07Å; E719-K795 IonicContact OE2-NZ 2.85Å; E719-K795 PolarHBondContact OE2-NZ 3.5Å; E719-F799 HydrophobicContact CB-CZ 4.34Å; E719-F799 HydrophobicContact CG-CE2 4.49Å; E719-F799 HydrophobicContact CG-CZ 3.83Å |
| 720 | R | 72.7 | Confident | 72.4 | Confident | 181 Ų | 181 | 69.7 Ų | 69.7 | 68% | 0.683 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -90.6 | -22.8 | 177.8 | -69.1 | 166.4 | 179.1 | 160.9 | -1.5 | 113.8 | N716 D717 L718 | N716-R720 WeakPolarHBondContact O-CG 3.42Å; D717-R720 WeakPolarHBondContact O-CB 3.38Å; D717-R720 PolarHBondContact O-N 3.48Å; D717-R720 VanDerWaalsContact O-N 3.13Å; D717-R720 WeakPolarHBondContact OD1-CD 3.36Å; D717-R720 IonicContact OD1-CZ 2.73Å; D717-R720 IonicContact OD1-NE 3.15Å; D717-R720 IonicContact OD1-NH1 3.32Å; D717-R720 PolarHBondContact OD1-NH1 2.89Å; L718-R720 PolarHBondContact O-N 3.43Å |
| 721 | T | 64.8 | Low | 71.8 | Confident | 87 Ų | 87 | 68.4 Ų | 68.4 | 53% | 0.534 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -92.9 | -1.3 | -176.5 | 29.2 | 0 | 0 | 0 | 0 | 113.8 | D717 L718 S723 | D717-T721 PolarHBondContact O-N 3.28Å; D717-T721 PolarHBondContact O-OG1 3.31Å; L718-T721 WeakPolarHBondContact CA-OG1 3.44Å; L718-T721 PolarHBondContact O-N 3.42Å; L718-T721 PolarHBondContact O-OG1 3.36Å; T721-S723 PolarHBondContact O-N 3.49Å; T721-S723 VanDerWaalsContact O-N 3.13Å |
| 722 | E | 57.7 | Low | 71.3 | Confident | 61 Ų | 61 | 69.4 Ų | 69.4 | 29% | 0.285 | 37% | 0.372 | S | S | . | . | G | 310 helix | trans | -68.3 | -10.8 | -172.4 | -134.6 | 177.7 | 165.8 | 0 | 0 | 115.6 | T724 K802 Q806 | E722-T724 PolarHBondContact O-N 3.41Å; E722-K802 VanDerWaalsContact OE1-CD 3.28Å; E722-K802 WeakPolarHBondContact OE1-CD 3.2Å; E722-K802 IonicContact OE1-NZ 2.66Å; E722-K802 WeakPolarHBondContact OE2-CE 3.46Å; E722-K802 IonicContact OE2-NZ 3.68Å; E722-K802 PolarHBondContact OE2-NZ 3.23Å; E722-Q806 VanDerWaalsContact CG-NE2 3.25Å; E722-Q806 PolarHBondContact OE1-NE2 2.9Å |
| 723 | S | 51.8 | Low | 70.7 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 78% | 0.776 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -87.5 | 6.3 | -166.6 | 63 | 0 | 0 | 0 | 0 | 116.5 | T721 | T721-S723 PolarHBondContact O-N 3.49Å; T721-S723 VanDerWaalsContact O-N 3.13Å |
| 724 | T | 55.2 | Low | 70.3 | Confident | 107 Ų | 107 | 75.3 Ų | 75.3 | 66% | 0.656 | 39% | 0.391 | S | S | * | . | G | 310 helix | trans | -117.7 | 1.9 | -169.4 | 53.4 | 0 | 0 | 0 | 0 | 115.6 | E722 N726 | E722-T724 PolarHBondContact O-N 3.41Å; T724-N726 PolarHBondContact O-N 3.15Å |
| 725 | I | 57.8 | Low | 70.3 | Confident | 38 Ų | 38 | 69 Ų | 69 | 20% | 0.195 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -17.3 | -163.3 | -58.9 | 176 | 0 | 0 | 0 | 114.3 | V727 Q806 Q809 L810 | I725-V727 VanDerWaalsContact C-N 3.26Å; I725-V727 PolarHBondContact O-N 2.91Å; I725-V727 VanDerWaalsContact O-N 3.16Å; I725-Q806 HydrophobicContact CD1-CB 4.35Å; I725-Q806 HydrophobicContact CD1-CG 3.67Å; I725-Q809 HydrophobicContact CG2-CB 4.14Å; I725-L810 HydrophobicContact CG2-CD2 4.37Å; I725-L810 HydrophobicContact CG2-CG 4.47Å |
| 726 | N | 59.6 | Low | 70.1 | Confident | 96 Ų | 96 | 72.7 Ų | 72.7 | 51% | 0.513 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78 | 5.3 | -172.1 | -68.1 | 0.3 | 0 | 0 | 0 | 115.8 | T724 Q809 | T724-N726 PolarHBondContact O-N 3.15Å; N726-Q809 PolarHBondContact OD1-NE2 2.69Å; N726-Q809 VanDerWaalsContact OD1-NE2 3.08Å |
| 727 | V | 64.8 | Low | 70.1 | Confident | 107 Ų | 107 | 75.4 Ų | 75.4 | 65% | 0.648 | 40% | 0.396 | S | S | * | . | B | Isolated β-bridge | trans | -113.8 | 122.5 | -179.5 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | I725 | I725-V727 VanDerWaalsContact C-N 3.26Å; I725-V727 PolarHBondContact O-N 2.91Å; I725-V727 VanDerWaalsContact O-N 3.16Å |
| 728 | I | 69.2 | Low | 70.4 | Confident | 3 Ų | 3 | 75.1 Ų | 75.1 | 2% | 0.015 | 40% | 0.395 | C | S | . | . | trans | -75 | 135.6 | 177.1 | -58.6 | 172.2 | 0 | 0 | 0 | 109.4 | A813 F816 R817 L888 V896 | I728-A813 HydrophobicContact CB-CB 4.45Å; I728-A813 HydrophobicContact CD1-CB 4.44Å; I728-A813 HydrophobicContact CG1-CB 3.82Å; I728-A813 HydrophobicContact CG2-CB 4.18Å; I728-F816 HydrophobicContact CD1-CD1 3.92Å; I728-F816 HydrophobicContact CD1-CE1 4.5Å; I728-F816 HydrophobicContact CG2-CD1 4.48Å; I728-R817 HydrophobicContact CG2-CG 3.67Å; I728-L888 HydrophobicContact CD1-CB 3.94Å; I728-L888 HydrophobicContact CD1-CD1 4.13Å; I728-L888 HydrophobicContact CG1-CB 4.39Å; I728-L888 HydrophobicContact CG1-CD1 4.4Å; I728-V896 HydrophobicContact CD1-CG2 3.32Å | ||
| 729 | G | 70.8 | Confident | 70.9 | Confident | 9 Ų | 9 | 75.2 Ų | 75.2 | 9% | 0.093 | 39% | 0.394 | C | S | . | . | trans | -57.8 | 157.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | T731 R817 | G729-T731 VanDerWaalsContact C-N 3.31Å; G729-R817 VanDerWaalsContact O-CZ 3.23Å; G729-R817 PolarHBondContact O-NE 3.46Å; G729-R817 PolarHBondContact O-NH2 3.5Å | ||
| 730 | N | 72.9 | Confident | 71.4 | Confident | 106 Ų | 106 | 75.9 Ų | 75.9 | 57% | 0.567 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -78.1 | -18.7 | -178.3 | -61.5 | -67.7 | 0 | 0 | 0 | 113.2 | E734 S891 | N730-E734 PolarHBondContact N-OE2 2.96Å; N730-S891 WeakPolarHBondContact OD1-CB 3.5Å; N730-S891 PolarHBondContact OD1-OG 3.1Å |
| 731 | T | 76.2 | Confident | 71.8 | Confident | 62 Ų | 62 | 71.5 Ų | 71.5 | 38% | 0.38 | 39% | 0.387 | S | S | . | . | S | Bend | trans | -128 | 158.6 | -179.5 | 60.3 | 0 | 0 | 0 | 0 | 111.2 | G729 Q733 E734 C735 | G729-T731 VanDerWaalsContact C-N 3.31Å; T731-Q733 PolarHBondContact O-N 3.09Å; T731-E734 WeakPolarHBondContact CB-OE1 3.45Å; T731-E734 WeakPolarHBondContact CG2-OE1 3.48Å; T731-E734 PolarHBondContact N-OE1 2.7Å; T731-E734 PolarHBondContact O-N 2.63Å; T731-E734 VanDerWaalsContact OG1-CD 3.3Å; T731-E734 VanDerWaalsContact OG1-CG 3.32Å; T731-E734 WeakPolarHBondContact OG1-CG 3.32Å; T731-E734 PolarHBondContact OG1-N 3.22Å; T731-E734 VanDerWaalsContact OG1-N 3.11Å; T731-E734 PolarHBondContact OG1-OE1 2.95Å; T731-C735 PolarHBondContact O-N 3.12Å; T731-C735 PolarHBondContact O-SG 3.09Å |
| 732 | I | 80 | Confident | 72.8 | Confident | 24 Ų | 24 | 68.8 Ų | 68.8 | 12% | 0.123 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -56.7 | -42.6 | 169.1 | -65.4 | 179 | 0 | 0 | 0 | 110 | E734 C735 E736 L814 R817 V818 Q821 | I732-E734 VanDerWaalsContact C-N 3.33Å; I732-E734 PolarHBondContact O-N 2.93Å; I732-C735 CarbonylContact O-C 3.46Å; I732-C735 WeakPolarHBondContact O-CA 3.16Å; I732-C735 WeakPolarHBondContact O-CB 3.32Å; I732-C735 PolarHBondContact O-N 2.95Å; I732-E736 HydrophobicContact CG2-CG 3.86Å; I732-E736 WeakPolarHBondContact O-CG 3.45Å; I732-E736 PolarHBondContact O-N 3.35Å; I732-L814 HydrophobicContact CG2-CD1 4.11Å; I732-R817 HydrophobicContact CG1-CB 3.99Å; I732-V818 HydrophobicContact CD1-CB 4.49Å; I732-V818 HydrophobicContact CD1-CG2 4.1Å; I732-V818 HydrophobicContact CG1-CG2 4.47Å; I732-V818 HydrophobicContact CG2-CG2 4.3Å; I732-Q821 HydrophobicContact CD1-CB 3.77Å; I732-Q821 VanDerWaalsContact CD1-CD 3.47Å; I732-Q821 HydrophobicContact CD1-CG 4.25Å |
| 733 | Q | 75.6 | Confident | 74.1 | Confident | 132 Ų | 132 | 69.4 Ų | 69.4 | 62% | 0.617 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -61.4 | -37.2 | -179.3 | -67.5 | -176.4 | -0.2 | 0 | 0 | 113.1 | T731 C735 Q737 | T731-Q733 PolarHBondContact O-N 3.09Å; Q733-C735 VanDerWaalsContact C-N 3.33Å; Q733-Q737 WeakPolarHBondContact O-CB 3.3Å; Q733-Q737 WeakPolarHBondContact O-CG 3.49Å; Q733-Q737 PolarHBondContact O-N 2.94Å; Q733-Q737 PolarHBondContact O-NE2 3.32Å |
| 734 | E | 77.1 | Confident | 75.5 | Confident | 68 Ų | 68 | 67.1 Ų | 67.1 | 32% | 0.318 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.5 | -39 | 170.7 | -77.5 | 156.9 | -112.3 | 0 | 0 | 111.7 | N730 T731 I732 N738 | N730-E734 PolarHBondContact N-OE2 2.96Å; T731-E734 WeakPolarHBondContact CB-OE1 3.45Å; T731-E734 WeakPolarHBondContact CG2-OE1 3.48Å; T731-E734 PolarHBondContact N-OE1 2.7Å; T731-E734 PolarHBondContact O-N 2.63Å; T731-E734 VanDerWaalsContact OG1-CD 3.3Å; T731-E734 VanDerWaalsContact OG1-CG 3.32Å; T731-E734 WeakPolarHBondContact OG1-CG 3.32Å; T731-E734 PolarHBondContact OG1-N 3.22Å; T731-E734 VanDerWaalsContact OG1-N 3.11Å; T731-E734 PolarHBondContact OG1-OE1 2.95Å; I732-E734 VanDerWaalsContact C-N 3.33Å; I732-E734 PolarHBondContact O-N 2.93Å; E734-N738 VanDerWaalsContact O-CB 3.27Å; E734-N738 WeakPolarHBondContact O-CB 3.3Å; E734-N738 PolarHBondContact O-N 2.7Å; E734-N738 PolarHBondContact O-ND2 3.11Å; E734-N738 VanDerWaalsContact O-ND2 3.11Å |
| 735 | C | 83.7 | Confident | 76.8 | Confident | 6 Ų | 6 | 68 Ų | 68 | 4% | 0.041 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -73.7 | -42.3 | -179.1 | -59.4 | 0 | 0 | 0 | 0 | 112.4 | T731 I732 Q733 N738 F739 L814 | T731-C735 PolarHBondContact O-N 3.12Å; T731-C735 PolarHBondContact O-SG 3.09Å; I732-C735 CarbonylContact O-C 3.46Å; I732-C735 WeakPolarHBondContact O-CA 3.16Å; I732-C735 WeakPolarHBondContact O-CB 3.32Å; I732-C735 PolarHBondContact O-N 2.95Å; Q733-C735 VanDerWaalsContact C-N 3.33Å; C735-N738 PolarHBondContact O-N 3.13Å; C735-F739 WeakPolarHBondContact O-CB 3.45Å; C735-F739 PolarHBondContact O-N 3.23Å; C735-L814 HydrophobicContact CB-CB 4.19Å; C735-L814 HydrophobicContact CB-CD1 3.86Å |
| 736 | E | 80.4 | Confident | 78.1 | Confident | 78 Ų | 78 | 66.3 Ų | 66.3 | 36% | 0.364 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.3 | -51.4 | 171.2 | -70.1 | 178.1 | 137 | 0 | 0 | 110.2 | I732 N738 F739 D740 L814 | I732-E736 HydrophobicContact CG2-CG 3.86Å; I732-E736 WeakPolarHBondContact O-CG 3.45Å; I732-E736 PolarHBondContact O-N 3.35Å; E736-N738 VanDerWaalsContact C-N 3.32Å; E736-N738 PolarHBondContact O-N 3Å; E736-F739 PolarHBondContact O-N 3.15Å; E736-F739 VanDerWaalsContact O-N 3.16Å; E736-D740 WeakPolarHBondContact O-CB 3.5Å; E736-D740 PolarHBondContact O-N 3.35Å; E736-L814 HydrophobicContact CG-CD1 3.66Å; E736-L814 HydrophobicContact CG-CD2 4.41Å |
| 737 | Q | 80.9 | Confident | 79.3 | Confident | 118 Ų | 118 | 66 Ų | 66 | 55% | 0.551 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -60.5 | -38.6 | 178.1 | -74.4 | 172.7 | 45.4 | 0 | 0 | 112.6 | Q733 Q741 | Q733-Q737 WeakPolarHBondContact O-CB 3.3Å; Q733-Q737 WeakPolarHBondContact O-CG 3.49Å; Q733-Q737 PolarHBondContact O-N 2.94Å; Q733-Q737 PolarHBondContact O-NE2 3.32Å; Q737-Q741 WeakPolarHBondContact O-CB 3.4Å; Q737-Q741 PolarHBondContact O-N 3.1Å |
| 738 | N | 81.5 | Confident | 80.2 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 40% | 0.396 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.9 | -41.1 | 175.9 | -75.8 | -25.5 | 0 | 0 | 0 | 112 | E734 C735 E736 W742 L810 | E734-N738 VanDerWaalsContact O-CB 3.27Å; E734-N738 WeakPolarHBondContact O-CB 3.3Å; E734-N738 PolarHBondContact O-N 2.7Å; E734-N738 PolarHBondContact O-ND2 3.11Å; E734-N738 VanDerWaalsContact O-ND2 3.11Å; C735-N738 PolarHBondContact O-N 3.13Å; E736-N738 VanDerWaalsContact C-N 3.32Å; E736-N738 PolarHBondContact O-N 3Å; N738-W742 WeakPolarHBondContact O-CB 3.43Å; N738-W742 PolarHBondContact O-N 3.31Å; N738-L810 HydrophobicContact CB-CD2 4.3Å |
| 739 | F | 84.5 | Confident | 81.1 | Confident | 35 Ų | 35 | 63.6 Ų | 63.6 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.3 | -46.8 | 176.9 | -172.7 | -88.3 | 0 | 0 | 0 | 112.1 | C735 E736 W742 L743 R807 L810 N811 | C735-F739 WeakPolarHBondContact O-CB 3.45Å; C735-F739 PolarHBondContact O-N 3.23Å; E736-F739 PolarHBondContact O-N 3.15Å; E736-F739 VanDerWaalsContact O-N 3.16Å; F739-W742 WeakPolarHBondContact O-CB 3.28Å; F739-W742 PolarHBondContact O-N 2.65Å; F739-L743 HydrophobicContact CE1-CD2 4.44Å; F739-L743 WeakPolarHBondContact O-CB 3.2Å; F739-L743 PolarHBondContact O-N 3.2Å; F739-R807 HydrophobicContact CE2-CG 4.31Å; F739-L810 HydrophobicContact CD2-CB 3.84Å; F739-N811 HydrophobicContact CE2-CB 4.29Å |
| 740 | D | 81.3 | Confident | 81.8 | Confident | 90 Ų | 90 | 66.7 Ų | 66.7 | 48% | 0.481 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 179.5 | -75 | -15.9 | 0 | 0 | 0 | 111.9 | E736 W742 L743 A744 | E736-D740 WeakPolarHBondContact O-CB 3.5Å; E736-D740 PolarHBondContact O-N 3.35Å; D740-W742 VanDerWaalsContact C-N 3.31Å; D740-W742 PolarHBondContact O-N 2.85Å; D740-L743 PolarHBondContact O-N 2.99Å; D740-A744 VanDerWaalsContact O-CB 3.28Å; D740-A744 WeakPolarHBondContact O-CB 2.98Å; D740-A744 PolarHBondContact O-N 2.99Å |
| 741 | Q | 82.6 | Confident | 82.5 | Confident | 89 Ų | 89 | 67.7 Ų | 67.7 | 42% | 0.416 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.8 | -35 | 175.9 | -172.8 | -179.6 | 117.4 | 0 | 0 | 111.6 | Q737 R745 | Q737-Q741 WeakPolarHBondContact O-CB 3.4Å; Q737-Q741 PolarHBondContact O-N 3.1Å; Q741-R745 WeakPolarHBondContact O-CB 3.1Å; Q741-R745 VanDerWaalsContact O-CG 3.28Å; Q741-R745 WeakPolarHBondContact O-CG 3.38Å; Q741-R745 PolarHBondContact O-N 2.89Å |
| 742 | W | 85.5 | Confident | 83 | Confident | 30 Ų | 30 | 65.7 Ų | 65.7 | 11% | 0.114 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.2 | -49 | 171 | 172.2 | 90.3 | 0 | 0 | 0 | 111.4 | N738 F739 D740 A744 R745 A746 W803 R807 L810 | N738-W742 WeakPolarHBondContact O-CB 3.43Å; N738-W742 PolarHBondContact O-N 3.31Å; F739-W742 WeakPolarHBondContact O-CB 3.28Å; F739-W742 PolarHBondContact O-N 2.65Å; D740-W742 VanDerWaalsContact C-N 3.31Å; D740-W742 PolarHBondContact O-N 2.85Å; W742-A744 PolarHBondContact O-N 2.72Å; W742-R745 PolarHBondContact O-N 3.42Å; W742-A746 HydrophobicContact CZ2-CB 4.43Å; W742-A746 WeakPolarHBondContact O-CB 3.49Å; W742-A746 PolarHBondContact O-N 2.98Å; W742-W803 HydrophobicContact CZ2-CB 3.82Å; W742-W803 HydrophobicContact CZ2-CG 4.14Å; W742-W803 VanDerWaalsContact CZ2-O 3.3Å; W742-W803 WeakPolarHBondContact CZ2-O 3.44Å; W742-W803 AromaticContact NE1-CD1 3.94Å; W742-R807 HydrophobicContact CH2-CB 3.56Å; W742-R807 HydrophobicContact CH2-CG 3.88Å; W742-R807 HydrophobicContact CZ2-CB 3.92Å; W742-R807 HydrophobicContact CZ3-CB 4.07Å; W742-R807 HydrophobicContact CZ3-CG 3.99Å; W742-L810 HydrophobicContact CB-CD1 3.59Å; W742-L810 HydrophobicContact CD2-CD1 4.1Å; W742-L810 HydrophobicContact CG-CD1 3.54Å |
| 743 | L | 84.8 | Confident | 83.4 | Confident | 74 Ų | 74 | 64.9 Ų | 64.9 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.6 | -45.5 | -178.1 | -179.8 | 63.3 | 0 | 0 | 0 | 111.5 | F739 D740 A746 E747 | F739-L743 HydrophobicContact CE1-CD2 4.44Å; F739-L743 WeakPolarHBondContact O-CB 3.2Å; F739-L743 PolarHBondContact O-N 3.2Å; D740-L743 PolarHBondContact O-N 2.99Å; L743-A746 PolarHBondContact O-N 3.36Å; L743-E747 PolarHBondContact O-N 3.4Å |
| 744 | A | 80.9 | Confident | 84.1 | Confident | 63 Ų | 63 | 60.8 Ų | 60.8 | 52% | 0.521 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D740 W742 A748 | D740-A744 VanDerWaalsContact O-CB 3.28Å; D740-A744 WeakPolarHBondContact O-CB 2.98Å; D740-A744 PolarHBondContact O-N 2.99Å; W742-A744 PolarHBondContact O-N 2.72Å; A744-A748 WeakPolarHBondContact O-CB 3.46Å; A744-A748 PolarHBondContact O-N 3.47Å |
| 745 | R | 83.1 | Confident | 84.7 | Confident | 126 Ų | 126 | 60.5 Ų | 60.5 | 48% | 0.475 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 175 | -78.3 | 178.3 | -178.7 | 136.1 | 9.4 | 112.3 | Q741 W742 T749 | Q741-R745 WeakPolarHBondContact O-CB 3.1Å; Q741-R745 VanDerWaalsContact O-CG 3.28Å; Q741-R745 WeakPolarHBondContact O-CG 3.38Å; Q741-R745 PolarHBondContact O-N 2.89Å; W742-R745 PolarHBondContact O-N 3.42Å; R745-T749 VanDerWaalsContact O-CB 3.31Å; R745-T749 WeakPolarHBondContact O-CB 3.31Å; R745-T749 PolarHBondContact O-N 2.8Å; R745-T749 PolarHBondContact O-OG1 2.85Å |
| 746 | A | 84.7 | Confident | 85.1 | Confident | 2 Ų | 2 | 60.3 Ų | 60.3 | 2% | 0.017 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W742 L743 T749 R750 W803 | W742-A746 HydrophobicContact CZ2-CB 4.43Å; W742-A746 WeakPolarHBondContact O-CB 3.49Å; W742-A746 PolarHBondContact O-N 2.98Å; L743-A746 PolarHBondContact O-N 3.36Å; A746-T749 PolarHBondContact O-N 3.08Å; A746-R750 WeakPolarHBondContact O-CB 3.18Å; A746-R750 PolarHBondContact O-N 3.44Å; A746-W803 HydrophobicContact CB-CD2 4.03Å; A746-W803 HydrophobicContact CB-CE3 4.14Å; A746-W803 HydrophobicContact CB-CH2 4.37Å; A746-W803 HydrophobicContact CB-CZ2 4.25Å; A746-W803 HydrophobicContact CB-CZ3 4.3Å |
| 747 | E | 84.7 | Confident | 85.7 | Confident | 91 Ų | 91 | 62 Ų | 62 | 43% | 0.425 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -70 | -42.5 | 178.8 | -173 | 55.8 | -152.7 | 0 | 0 | 112.6 | L743 T749 R750 Q751 | L743-E747 PolarHBondContact O-N 3.4Å; E747-T749 VanDerWaalsContact C-N 3.27Å; E747-T749 PolarHBondContact O-N 3.01Å; E747-R750 PolarHBondContact O-N 2.83Å; E747-R750 IonicContact OE2-CZ 2.66Å; E747-R750 IonicContact OE2-NH1 2.68Å; E747-R750 PolarHBondContact OE2-NH1 3.27Å; E747-Q751 WeakPolarHBondContact O-CB 3.38Å; E747-Q751 PolarHBondContact O-N 3.3Å |
| 748 | A | 84.2 | Confident | 86.3 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 42% | 0.421 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.1 | -39.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | A744 A752 | A744-A748 WeakPolarHBondContact O-CB 3.46Å; A744-A748 PolarHBondContact O-N 3.47Å; A748-A752 VanDerWaalsContact O-CB 3.3Å; A748-A752 WeakPolarHBondContact O-CB 3.26Å; A748-A752 PolarHBondContact O-N 3.19Å |
| 749 | T | 86.7 | Confident | 86.9 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.043 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67.7 | -43.5 | 175.8 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | M715 L718 R745 A746 E747 A752 T753 W803 | M715-T749 HydrophobicContact CE-CG2 3.88Å; M715-T749 HydrophobicContact CG-CG2 4.1Å; L718-T749 HydrophobicContact CD1-CG2 4.2Å; R745-T749 VanDerWaalsContact O-CB 3.31Å; R745-T749 WeakPolarHBondContact O-CB 3.31Å; R745-T749 PolarHBondContact O-N 2.8Å; R745-T749 PolarHBondContact O-OG1 2.85Å; A746-T749 PolarHBondContact O-N 3.08Å; E747-T749 VanDerWaalsContact C-N 3.27Å; E747-T749 PolarHBondContact O-N 3.01Å; T749-A752 PolarHBondContact O-N 2.9Å; T749-T753 WeakPolarHBondContact O-CB 3.42Å; T749-T753 PolarHBondContact O-N 3.43Å; T749-T753 PolarHBondContact O-OG1 2.69Å; T749-W803 HydrophobicContact CG2-CH2 3.88Å; T749-W803 HydrophobicContact CG2-CZ2 4.21Å |
| 750 | R | 87.3 | Confident | 87.3 | Confident | 74 Ų | 74 | 56.5 Ų | 56.5 | 28% | 0.279 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -61 | -44.3 | 175.6 | -176.3 | -178.9 | -64.7 | 107.4 | 5.8 | 112.2 | A746 E747 T753 A754 E800 | A746-R750 WeakPolarHBondContact O-CB 3.18Å; A746-R750 PolarHBondContact O-N 3.44Å; E747-R750 PolarHBondContact O-N 2.83Å; E747-R750 IonicContact OE2-CZ 2.66Å; E747-R750 IonicContact OE2-NH1 2.68Å; E747-R750 PolarHBondContact OE2-NH1 3.27Å; R750-T753 WeakPolarHBondContact O-CB 3.27Å; R750-T753 PolarHBondContact O-N 2.86Å; R750-A754 PolarHBondContact O-N 3.35Å; R750-E800 IonicContact CZ-OE1 3.38Å; R750-E800 IonicContact CZ-OE2 3.71Å; R750-E800 IonicContact NE-OE1 2.88Å; R750-E800 PolarHBondContact NE-OE1 3.12Å; R750-E800 IonicContact NE-OE2 2.84Å; R750-E800 VanDerWaalsContact NH2-CD 3.31Å; R750-E800 IonicContact NH2-OE1 2.62Å; R750-E800 PolarHBondContact NH2-OE1 3.44Å; R750-E800 VanDerWaalsContact NH2-OE1 3.07Å; R750-E800 IonicContact NH2-OE2 3.56Å; R750-E800 PolarHBondContact NH2-OE2 3.04Å |
| 751 | Q | 85.9 | Confident | 87.8 | Confident | 127 Ų | 127 | 56 Ų | 56 | 59% | 0.593 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.5 | -42.1 | 179 | -167.9 | 179.3 | 15.9 | 0 | 0 | 111.9 | E747 T753 A754 T755 | E747-Q751 WeakPolarHBondContact O-CB 3.38Å; E747-Q751 PolarHBondContact O-N 3.3Å; Q751-T753 VanDerWaalsContact C-N 3.3Å; Q751-T753 PolarHBondContact O-N 3.31Å; Q751-A754 PolarHBondContact O-N 2.94Å; Q751-T755 WeakPolarHBondContact O-CB 3.46Å; Q751-T755 PolarHBondContact O-N 2.87Å; Q751-T755 PolarHBondContact O-OG1 2.98Å |
| 752 | A | 86.7 | Confident | 88.3 | Confident | 21 Ų | 21 | 56.5 Ų | 56.5 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -62.3 | -37.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | I711 W714 A748 T749 T755 T756 | I711-A752 VanDerWaalsContact CD1-C 3.45Å; I711-A752 HydrophobicContact CD1-CB 3.68Å; I711-A752 HydrophobicContact CG1-CB 4.24Å; W714-A752 HydrophobicContact CE3-CB 4.46Å; W714-A752 HydrophobicContact CZ3-CB 3.9Å; A748-A752 VanDerWaalsContact O-CB 3.3Å; A748-A752 WeakPolarHBondContact O-CB 3.26Å; A748-A752 PolarHBondContact O-N 3.19Å; T749-A752 PolarHBondContact O-N 2.9Å; A752-T755 PolarHBondContact O-N 3.35Å; A752-T756 WeakPolarHBondContact O-CB 3.35Å; A752-T756 PolarHBondContact O-N 3.4Å; A752-T756 PolarHBondContact O-OG1 2.84Å |
| 753 | T | 89.5 | Confident | 88.6 | Confident | 7 Ų | 7 | 55.1 Ų | 55.1 | 4% | 0.043 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.7 | -53.3 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 110.1 | I711 M715 T749 R750 Q751 T755 T756 R757 V792 Q796 | I711-T753 WeakPolarHBondContact CD1-OG1 3.18Å; M715-T753 HydrophobicContact CE-CG2 4.49Å; M715-T753 VanDerWaalsContact CE-OG1 3.27Å; M715-T753 WeakPolarHBondContact CE-OG1 3.34Å; T749-T753 WeakPolarHBondContact O-CB 3.42Å; T749-T753 PolarHBondContact O-N 3.43Å; T749-T753 PolarHBondContact O-OG1 2.69Å; R750-T753 WeakPolarHBondContact O-CB 3.27Å; R750-T753 PolarHBondContact O-N 2.86Å; Q751-T753 VanDerWaalsContact C-N 3.3Å; Q751-T753 PolarHBondContact O-N 3.31Å; T753-T755 VanDerWaalsContact C-N 3.29Å; T753-T755 PolarHBondContact O-N 3.47Å; T753-T756 PolarHBondContact O-N 2.8Å; T753-R757 VanDerWaalsContact O-CB 3.28Å; T753-R757 WeakPolarHBondContact O-CB 3.4Å; T753-R757 PolarHBondContact O-N 3.29Å; T753-V792 HydrophobicContact CG2-CG1 3.5Å; T753-V792 VanDerWaalsContact CG2-CG1 3.5Å; T753-Q796 HydrophobicContact CG2-CB 3.8Å; T753-Q796 HydrophobicContact CG2-CG 3.92Å; T753-Q796 PolarHBondContact OG1-OE1 3.15Å |
| 754 | A | 89.3 | Confident | 89 | Confident | 46 Ų | 46 | 52 Ų | 52 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.3 | -38.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | R750 Q751 N758 | R750-A754 PolarHBondContact O-N 3.35Å; Q751-A754 PolarHBondContact O-N 2.94Å; A754-N758 WeakPolarHBondContact O-CB 3.36Å; A754-N758 PolarHBondContact O-N 3.21Å; A754-N758 PolarHBondContact O-ND2 3.21Å; A754-N758 VanDerWaalsContact O-ND2 3.1Å |
| 755 | T | 89.7 | Confident | 89.4 | Confident | 62 Ų | 62 | 52.4 Ų | 52.4 | 38% | 0.38 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -64.7 | -53.2 | 177.4 | -55.1 | 0 | 0 | 0 | 0 | 111.2 | Q751 A752 T753 R757 N758 E759 | Q751-T755 WeakPolarHBondContact O-CB 3.46Å; Q751-T755 PolarHBondContact O-N 2.87Å; Q751-T755 PolarHBondContact O-OG1 2.98Å; A752-T755 PolarHBondContact O-N 3.35Å; T753-T755 VanDerWaalsContact C-N 3.29Å; T753-T755 PolarHBondContact O-N 3.47Å; T755-R757 VanDerWaalsContact C-N 3.3Å; T755-R757 PolarHBondContact O-N 2.86Å; T755-N758 PolarHBondContact O-N 2.87Å; T755-N758 VanDerWaalsContact O-N 3.17Å; T755-E759 WeakPolarHBondContact O-CG 3.41Å; T755-E759 PolarHBondContact O-N 3.28Å |
| 756 | T | 93.7 | Very high | 89.8 | Confident | 2 Ų | 2 | 48.5 Ų | 48.5 | 1% | 0.012 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -56.2 | -44.2 | 176.5 | -53.3 | 0 | 0 | 0 | 0 | 111.5 | F704 H707 F708 I711 A752 T753 N758 E759 G760 V792 | F704-T756 HydrophobicContact CD2-CG2 4.08Å; F704-T756 VanDerWaalsContact CD2-O 3.25Å; F704-T756 WeakPolarHBondContact CD2-O 3.48Å; F704-T756 HydrophobicContact CE2-CG2 3.95Å; F704-T756 WeakPolarHBondContact CE2-O 3.38Å; H707-T756 HydrophobicContact CB-CG2 4.37Å; F708-T756 HydrophobicContact CB-CG2 4.03Å; I711-T756 HydrophobicContact CG2-CG2 4.5Å; A752-T756 WeakPolarHBondContact O-CB 3.35Å; A752-T756 PolarHBondContact O-N 3.4Å; A752-T756 PolarHBondContact O-OG1 2.84Å; T753-T756 PolarHBondContact O-N 2.8Å; T756-N758 PolarHBondContact O-N 3.11Å; T756-E759 PolarHBondContact O-N 2.93Å; T756-G760 PolarHBondContact O-N 3.34Å; T756-V792 HydrophobicContact CG2-CG2 4.45Å |
| 757 | R | 92.7 | Very high | 90 | Very high | 114 Ų | 114 | 48.4 Ų | 48.4 | 43% | 0.43 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59.1 | -48 | 177.1 | -168.3 | -173.8 | -160.4 | -135.3 | 5.7 | 111.9 | T753 T755 E759 G760 V761 I789 D793 | T753-R757 VanDerWaalsContact O-CB 3.28Å; T753-R757 WeakPolarHBondContact O-CB 3.4Å; T753-R757 PolarHBondContact O-N 3.29Å; T755-R757 VanDerWaalsContact C-N 3.3Å; T755-R757 PolarHBondContact O-N 2.86Å; R757-E759 VanDerWaalsContact C-N 3.34Å; R757-E759 PolarHBondContact O-N 3.23Å; R757-G760 PolarHBondContact O-N 3.03Å; R757-V761 WeakPolarHBondContact O-CG2 3.32Å; R757-V761 PolarHBondContact O-N 3.36Å; R757-I789 HydrophobicContact CG-CG2 4.07Å; R757-D793 VanDerWaalsContact CD-OD1 3.28Å; R757-D793 WeakPolarHBondContact CD-OD1 3.38Å; R757-D793 IonicContact CZ-OD1 3.07Å; R757-D793 IonicContact CZ-OD2 3.91Å; R757-D793 VanDerWaalsContact CZ-OD2 3.24Å; R757-D793 VanDerWaalsContact NE-CG 3.25Å; R757-D793 IonicContact NE-OD1 2.66Å; R757-D793 PolarHBondContact NE-OD1 3.45Å; R757-D793 IonicContact NE-OD2 3.31Å; R757-D793 PolarHBondContact NE-OD2 3.19Å; R757-D793 IonicContact NH2-OD1 2.86Å; R757-D793 IonicContact NH2-OD2 2.76Å; R757-D793 PolarHBondContact NH2-OD2 3.35Å |
| 758 | N | 92.3 | Very high | 90.1 | Very high | 94 Ų | 94 | 50.6 Ų | 50.6 | 50% | 0.503 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65.4 | -35.7 | -179.3 | -72.6 | -25.9 | 0 | 0 | 0 | 112.6 | A754 T755 T756 V761 Q762 | A754-N758 WeakPolarHBondContact O-CB 3.36Å; A754-N758 PolarHBondContact O-N 3.21Å; A754-N758 PolarHBondContact O-ND2 3.21Å; A754-N758 VanDerWaalsContact O-ND2 3.1Å; T755-N758 PolarHBondContact O-N 2.87Å; T755-N758 VanDerWaalsContact O-N 3.17Å; T756-N758 PolarHBondContact O-N 3.11Å; N758-V761 PolarHBondContact O-N 3.03Å; N758-Q762 WeakPolarHBondContact O-CG 3.49Å; N758-Q762 PolarHBondContact O-N 3.38Å |
| 759 | E | 93.9 | Very high | 90.1 | Very high | 17 Ų | 17 | 53.3 Ų | 53.3 | 8% | 0.079 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 173.9 | -69.6 | 167.8 | 178.7 | 0 | 0 | 111.9 | L703 F704 H707 T755 T756 R757 Q762 L763 | L703-E759 HydrophobicContact CD2-CG 4.01Å; L703-E759 WeakPolarHBondContact CD2-OE1 3.46Å; L703-E759 HydrophobicContact CG-CG 4.45Å; F704-E759 HydrophobicContact CB-CB 4.2Å; F704-E759 HydrophobicContact CD2-CB 4.22Å; H707-E759 IonicContact CE1-OE1 3.72Å; H707-E759 PolarHBondContact CE1-OE1 3.04Å; H707-E759 IonicContact CE1-OE2 2.86Å; H707-E759 IonicContact CG-OE2 3.23Å; H707-E759 IonicContact ND1-OE1 2.62Å; H707-E759 PolarHBondContact ND1-OE1 3Å; H707-E759 IonicContact ND1-OE2 2.69Å; H707-E759 PolarHBondContact ND1-OE2 3Å; T755-E759 WeakPolarHBondContact O-CG 3.41Å; T755-E759 PolarHBondContact O-N 3.28Å; T756-E759 PolarHBondContact O-N 2.93Å; R757-E759 VanDerWaalsContact C-N 3.34Å; R757-E759 PolarHBondContact O-N 3.23Å; E759-Q762 PolarHBondContact O-N 3.28Å; E759-L763 WeakPolarHBondContact O-CB 3.34Å; E759-L763 PolarHBondContact O-N 3.17Å |
| 760 | G | 93 | Very high | 90.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F704 T756 R757 Q762 L763 V764 V785 | F704-G760 VanDerWaalsContact CD2-CA 3.49Å; F704-G760 VanDerWaalsContact CD2-N 3.34Å; F704-G760 VanDerWaalsContact CE2-CA 3.5Å; T756-G760 PolarHBondContact O-N 3.34Å; R757-G760 PolarHBondContact O-N 3.03Å; G760-Q762 PolarHBondContact O-N 3.08Å; G760-L763 WeakPolarHBondContact O-CB 3.43Å; G760-L763 PolarHBondContact O-N 3.26Å; G760-V764 WeakPolarHBondContact O-CG2 3.39Å; G760-V764 PolarHBondContact O-N 3.31Å; G760-V785 WeakPolarHBondContact O-CG1 3.25Å |
| 761 | V | 92.9 | Very high | 89.7 | Confident | 80 Ų | 80 | 52 Ų | 52 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 176.6 | 172.7 | 0 | 0 | 0 | 0 | 111.7 | R757 N758 V764 S765 I789 | R757-V761 WeakPolarHBondContact O-CG2 3.32Å; R757-V761 PolarHBondContact O-N 3.36Å; N758-V761 PolarHBondContact O-N 3.03Å; V761-V764 PolarHBondContact O-N 3.48Å; V761-S765 PolarHBondContact O-N 3.05Å; V761-I789 HydrophobicContact CG2-CD1 4.04Å |
| 762 | Q | 92.1 | Very high | 89.3 | Confident | 99 Ų | 99 | 52 Ų | 52 | 46% | 0.463 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -66.2 | -40.4 | 174 | -76.3 | -171.8 | 70.8 | 0 | 0 | 112.4 | F700 N758 E759 G760 V764 S765 L766 | F700-Q762 HydrophobicContact CD1-CB 4.35Å; F700-Q762 HydrophobicContact CE1-CB 4.12Å; N758-Q762 WeakPolarHBondContact O-CG 3.49Å; N758-Q762 PolarHBondContact O-N 3.38Å; E759-Q762 PolarHBondContact O-N 3.28Å; G760-Q762 PolarHBondContact O-N 3.08Å; Q762-V764 PolarHBondContact O-N 2.98Å; Q762-S765 WeakPolarHBondContact O-CB 3.4Å; Q762-S765 PolarHBondContact O-N 2.94Å; Q762-S765 VanDerWaalsContact O-N 3.17Å; Q762-L766 WeakPolarHBondContact O-CG 3.29Å; Q762-L766 PolarHBondContact O-N 3.25Å |
| 763 | L | 93.6 | Very high | 88.6 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.6 | -180 | 58 | 0 | 0 | 0 | 111.8 | I623 L697 F700 F704 E759 G760 L766 L767 V785 | I623-L763 HydrophobicContact CD1-CD1 4.11Å; I623-L763 HydrophobicContact CD1-CD2 4.15Å; I623-L763 HydrophobicContact CD1-CG 4.32Å; L697-L763 HydrophobicContact CD1-CD1 3.79Å; F700-L763 HydrophobicContact CB-CD1 4.25Å; F704-L763 HydrophobicContact CB-CD2 4.23Å; F704-L763 HydrophobicContact CD1-CD2 3.94Å; F704-L763 HydrophobicContact CG-CD2 4.34Å; E759-L763 WeakPolarHBondContact O-CB 3.34Å; E759-L763 PolarHBondContact O-N 3.17Å; G760-L763 WeakPolarHBondContact O-CB 3.43Å; G760-L763 PolarHBondContact O-N 3.26Å; L763-L766 PolarHBondContact O-N 3.17Å; L763-L767 HydrophobicContact CG-CD1 4.39Å; L763-L767 VanDerWaalsContact O-CG 3.29Å; L763-L767 WeakPolarHBondContact O-CG 3.29Å; L763-L767 PolarHBondContact O-N 3.34Å; L763-V785 HydrophobicContact CB-CG1 4.48Å; L763-V785 HydrophobicContact CD2-CG1 4.16Å; L763-V785 HydrophobicContact CD2-CG2 3.74Å; L763-V785 HydrophobicContact CG-CG1 4.44Å; L763-V785 HydrophobicContact CG-CG2 4.25Å |
| 764 | V | 91.5 | Very high | 87.6 | Confident | 9 Ų | 9 | 60 Ų | 60 | 6% | 0.055 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 172 | 166.6 | 0 | 0 | 0 | 0 | 111.6 | G760 V761 Q762 L767 R768 I782 V785 E786 | G760-V764 WeakPolarHBondContact O-CG2 3.39Å; G760-V764 PolarHBondContact O-N 3.31Å; V761-V764 PolarHBondContact O-N 3.48Å; Q762-V764 PolarHBondContact O-N 2.98Å; V764-L767 PolarHBondContact O-N 3.08Å; V764-R768 VanDerWaalsContact CG1-NE 3.31Å; V764-R768 VanDerWaalsContact O-CG 3.29Å; V764-R768 WeakPolarHBondContact O-CG 3.29Å; V764-R768 PolarHBondContact O-N 3.37Å; V764-I782 HydrophobicContact CG1-CG2 4.12Å; V764-V785 HydrophobicContact CG2-CB 3.94Å; V764-V785 HydrophobicContact CG2-CG1 3.68Å; V764-E786 HydrophobicContact CG1-CG 4.47Å; V764-E786 WeakPolarHBondContact CG1-OE1 3.08Å; V764-E786 HydrophobicContact CG2-CG 3.83Å |
| 765 | S | 90.1 | Very high | 86.5 | Confident | 72 Ų | 72 | 61.1 Ų | 61.1 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.4 | -47.2 | 177 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | V761 Q762 L767 R768 Q769 | V761-S765 PolarHBondContact O-N 3.05Å; Q762-S765 WeakPolarHBondContact O-CB 3.4Å; Q762-S765 PolarHBondContact O-N 2.94Å; Q762-S765 VanDerWaalsContact O-N 3.17Å; S765-L767 PolarHBondContact O-N 2.62Å; S765-R768 PolarHBondContact O-N 2.85Å; S765-Q769 PolarHBondContact O-N 2.72Å |
| 766 | L | 90.6 | Very high | 85.6 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65 | -39 | 178.2 | -68 | 171 | 0 | 0 | 0 | 112.6 | L697 F700 Q762 L763 Q769 Q770 | L697-L766 HydrophobicContact CD1-CB 3.78Å; F700-L766 HydrophobicContact CB-CD1 4.31Å; F700-L766 HydrophobicContact CD2-CD1 3.43Å; F700-L766 VanDerWaalsContact CD2-CD1 3.43Å; F700-L766 HydrophobicContact CE2-CD1 3.94Å; F700-L766 HydrophobicContact CG-CD1 4.02Å; Q762-L766 WeakPolarHBondContact O-CG 3.29Å; Q762-L766 PolarHBondContact O-N 3.25Å; L763-L766 PolarHBondContact O-N 3.17Å; L766-Q769 PolarHBondContact O-N 2.93Å; L766-Q770 WeakPolarHBondContact O-CB 3.43Å; L766-Q770 PolarHBondContact O-N 3.4Å |
| 767 | L | 89.7 | Confident | 84.7 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -62.8 | -41.9 | 174.3 | -73.7 | 166.8 | 0 | 0 | 0 | 112 | I623 L697 L763 V764 S765 S771 N778 I782 | I623-L767 HydrophobicContact CD1-CD1 4.01Å; I623-L767 HydrophobicContact CD1-CD2 4.25Å; I623-L767 HydrophobicContact CG1-CD2 4.5Å; I623-L767 HydrophobicContact CG2-CD2 3.94Å; L697-L767 HydrophobicContact CD1-CD2 3.98Å; L697-L767 HydrophobicContact CD1-CG 4.02Å; L697-L767 HydrophobicContact CD2-CD2 4.36Å; L763-L767 HydrophobicContact CG-CD1 4.39Å; L763-L767 VanDerWaalsContact O-CG 3.29Å; L763-L767 WeakPolarHBondContact O-CG 3.29Å; L763-L767 PolarHBondContact O-N 3.34Å; V764-L767 PolarHBondContact O-N 3.08Å; S765-L767 PolarHBondContact O-N 2.62Å; L767-S771 PolarHBondContact O-N 3.07Å; L767-S771 PolarHBondContact O-OG 3.27Å; L767-N778 HydrophobicContact CB-CB 4.25Å; L767-N778 HydrophobicContact CD2-CB 4.09Å; L767-N778 PolarHBondContact O-ND2 2.98Å; L767-N778 VanDerWaalsContact O-ND2 3.09Å; L767-I782 HydrophobicContact CB-CD1 4.11Å; L767-I782 HydrophobicContact CB-CG1 3.61Å; L767-I782 HydrophobicContact CD1-CG1 3.98Å; L767-I782 HydrophobicContact CG-CG1 4.43Å |
| 768 | R | 87.3 | Confident | 84.2 | Confident | 137 Ų | 137 | 59.6 Ų | 59.6 | 52% | 0.517 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 175.1 | -69.5 | 171.5 | -176.7 | -165.7 | 4.2 | 111 | V764 S765 S771 V772 I782 E786 | V764-R768 VanDerWaalsContact CG1-NE 3.31Å; V764-R768 VanDerWaalsContact O-CG 3.29Å; V764-R768 WeakPolarHBondContact O-CG 3.29Å; V764-R768 PolarHBondContact O-N 3.37Å; S765-R768 PolarHBondContact O-N 2.85Å; R768-S771 WeakPolarHBondContact O-CB 3.44Å; R768-S771 PolarHBondContact O-N 3.43Å; R768-V772 PolarHBondContact O-N 3.25Å; R768-I782 HydrophobicContact CG-CD1 3.65Å; R768-I782 HydrophobicContact CG-CG1 4.38Å; R768-E786 IonicContact CZ-OE1 2.65Å; R768-E786 IonicContact NE-OE1 3.74Å; R768-E786 IonicContact NH2-OE1 2.68Å; R768-E786 PolarHBondContact NH2-OE1 2.69Å |
| 769 | Q | 84.6 | Confident | 83.9 | Confident | 109 Ų | 109 | 59.9 Ų | 59.9 | 51% | 0.509 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 176 | -170.6 | -177.1 | 11.6 | 0 | 0 | 112.2 | S765 L766 S771 V772 L773 | S765-Q769 PolarHBondContact O-N 2.72Å; L766-Q769 PolarHBondContact O-N 2.93Å; Q769-S771 VanDerWaalsContact C-N 3.31Å; Q769-S771 PolarHBondContact O-N 3.35Å; Q769-V772 PolarHBondContact O-N 3.33Å; Q769-L773 HydrophobicContact CG-CD1 3.95Å; Q769-L773 WeakPolarHBondContact O-CG 3.36Å; Q769-L773 PolarHBondContact O-N 3.03Å; Q769-L773 VanDerWaalsContact O-N 3.07Å |
| 770 | Q | 84.9 | Confident | 83.3 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 9% | 0.089 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -61.6 | -40 | 175.7 | -168.4 | -167.8 | 15.1 | 0 | 0 | 111.6 | L766 V772 L773 E774 N778 | L766-Q770 WeakPolarHBondContact O-CB 3.43Å; L766-Q770 PolarHBondContact O-N 3.4Å; Q770-V772 VanDerWaalsContact C-N 3.29Å; Q770-V772 PolarHBondContact O-N 2.87Å; Q770-L773 PolarHBondContact O-N 3.07Å; Q770-E774 HydrophobicContact CG-CB 4.44Å; Q770-E774 HydrophobicContact CG-CG 4.14Å; Q770-E774 WeakPolarHBondContact CG-OE2 3.38Å; Q770-E774 PolarHBondContact NE2-OE2 2.71Å; Q770-E774 PolarHBondContact O-N 3.25Å; Q770-N778 PolarHBondContact OE1-ND2 3.16Å |
| 771 | S | 80.6 | Confident | 83 | Confident | 34 Ų | 34 | 66.5 Ų | 66.5 | 24% | 0.238 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -58.5 | -41.1 | 177.7 | -50.1 | 0 | 0 | 0 | 0 | 112.1 | L767 R768 Q769 G775 S776 | L767-S771 PolarHBondContact O-N 3.07Å; L767-S771 PolarHBondContact O-OG 3.27Å; R768-S771 WeakPolarHBondContact O-CB 3.44Å; R768-S771 PolarHBondContact O-N 3.43Å; Q769-S771 VanDerWaalsContact C-N 3.31Å; Q769-S771 PolarHBondContact O-N 3.35Å; S771-G775 WeakPolarHBondContact O-CA 3.32Å; S771-G775 PolarHBondContact O-N 3.17Å; S771-G775 VanDerWaalsContact O-N 3.17Å; S771-S776 WeakPolarHBondContact CA-O 3.3Å; S771-S776 WeakPolarHBondContact CB-O 3.45Å; S771-S776 PolarHBondContact OG-O 3.14Å |
| 772 | V | 77.1 | Confident | 82.8 | Confident | 128 Ų | 128 | 63.7 Ų | 63.7 | 78% | 0.776 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -71.7 | -36.5 | 177.7 | 175 | 0 | 0 | 0 | 0 | 112.4 | R768 Q769 Q770 | R768-V772 PolarHBondContact O-N 3.25Å; Q769-V772 PolarHBondContact O-N 3.33Å; Q770-V772 VanDerWaalsContact C-N 3.29Å; Q770-V772 PolarHBondContact O-N 2.87Å |
| 773 | L | 71 | Confident | 82.6 | Confident | 132 Ų | 132 | 61.5 Ų | 61.5 | 69% | 0.691 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -86.4 | -35.2 | -174.8 | -68.9 | 175.6 | 0 | 0 | 0 | 114.5 | Q769 Q770 | Q769-L773 HydrophobicContact CG-CD1 3.95Å; Q769-L773 WeakPolarHBondContact O-CG 3.36Å; Q769-L773 PolarHBondContact O-N 3.03Å; Q769-L773 VanDerWaalsContact O-N 3.07Å; Q770-L773 PolarHBondContact O-N 3.07Å |
| 774 | E | 69.2 | Low | 82.5 | Confident | 63 Ų | 63 | 64.7 Ų | 64.7 | 29% | 0.294 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -110.4 | -7.3 | -174.9 | -58.8 | -157.2 | 108.9 | 0 | 0 | 113.8 | R690 Q770 S776 | R690-E774 IonicContact CZ-OE1 2.87Å; R690-E774 IonicContact NE-OE1 3.35Å; R690-E774 PolarHBondContact NE-OE1 2.93Å; R690-E774 IonicContact NH2-OE1 2.69Å; R690-E774 PolarHBondContact NH2-OE1 3.44Å; Q770-E774 HydrophobicContact CG-CB 4.44Å; Q770-E774 HydrophobicContact CG-CG 4.14Å; Q770-E774 WeakPolarHBondContact CG-OE2 3.38Å; Q770-E774 PolarHBondContact NE2-OE2 2.71Å; Q770-E774 PolarHBondContact O-N 3.25Å; E774-S776 PolarHBondContact O-N 3.29Å |
| 775 | G | 66.3 | Low | 82.5 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 72% | 0.722 | 36% | 0.361 | S | S | * | . | trans | 66.8 | 20.1 | -172 | 0 | 0 | 0 | 0 | 0 | 113.6 | S771 | S771-G775 WeakPolarHBondContact O-CA 3.32Å; S771-G775 PolarHBondContact O-N 3.17Å; S771-G775 VanDerWaalsContact O-N 3.17Å | ||
| 776 | S | 70.6 | Confident | 82.7 | Confident | 6 Ų | 6 | 63.9 Ų | 63.9 | 4% | 0.042 | 35% | 0.351 | C | S | . | . | trans | -77.9 | 127.6 | -179.3 | 58.9 | 0 | 0 | 0 | 0 | 111.6 | S771 E774 N778 | S771-S776 WeakPolarHBondContact CA-O 3.3Å; S771-S776 WeakPolarHBondContact CB-O 3.45Å; S771-S776 PolarHBondContact OG-O 3.14Å; E774-S776 PolarHBondContact O-N 3.29Å; S776-N778 PolarHBondContact O-N 3.4Å; S776-N778 PolarHBondContact OG-ND2 3.4Å | ||
| 777 | D | 75.1 | Confident | 82.7 | Confident | 134 Ų | 134 | 66.2 Ų | 66.2 | 72% | 0.717 | 36% | 0.361 | S | S | * | . | trans | -75.6 | 93.1 | 173.5 | -170.5 | -8.1 | 0 | 0 | 0 | 111.2 | V779 | D777-V779 WeakPolarHBondContact OD1-CB 3.5Å; D777-V779 VanDerWaalsContact OD1-CG2 3.24Å; D777-V779 WeakPolarHBondContact OD1-CG2 3.46Å; D777-V779 PolarHBondContact OD1-N 3.14Å; D777-V779 VanDerWaalsContact OD1-N 3.07Å | ||
| 778 | N | 82.8 | Confident | 83 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.027 | 36% | 0.364 | C | S | . | . | trans | -94.5 | 9.7 | 175.9 | -76.7 | -34.4 | 0 | 0 | 0 | 113.5 | L767 Q770 S776 E780 S781 I782 | L767-N778 HydrophobicContact CB-CB 4.25Å; L767-N778 HydrophobicContact CD2-CB 4.09Å; L767-N778 PolarHBondContact O-ND2 2.98Å; L767-N778 VanDerWaalsContact O-ND2 3.09Å; Q770-N778 PolarHBondContact OE1-ND2 3.16Å; S776-N778 PolarHBondContact O-N 3.4Å; S776-N778 PolarHBondContact OG-ND2 3.4Å; N778-E780 VanDerWaalsContact C-N 3.35Å; N778-E780 PolarHBondContact O-N 2.78Å; N778-S781 WeakPolarHBondContact O-CA 3.41Å; N778-S781 WeakPolarHBondContact O-CB 2.91Å; N778-S781 PolarHBondContact O-N 3.17Å; N778-I782 HydrophobicContact CB-CD1 4.24Å; N778-I782 PolarHBondContact O-N 3.45Å | ||
| 779 | V | 84.2 | Confident | 83.3 | Confident | 100 Ų | 100 | 61.1 Ų | 61.1 | 61% | 0.606 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -57.3 | -44.4 | -170.7 | 173.8 | 0 | 0 | 0 | 0 | 112.2 | D777 S781 I782 A783 | D777-V779 WeakPolarHBondContact OD1-CB 3.5Å; D777-V779 VanDerWaalsContact OD1-CG2 3.24Å; D777-V779 WeakPolarHBondContact OD1-CG2 3.46Å; D777-V779 PolarHBondContact OD1-N 3.14Å; D777-V779 VanDerWaalsContact OD1-N 3.07Å; V779-S781 VanDerWaalsContact C-N 3.27Å; V779-S781 PolarHBondContact O-N 3.45Å; V779-I782 PolarHBondContact O-N 2.8Å; V779-A783 PolarHBondContact O-N 3.38Å |
| 780 | E | 82.2 | Confident | 83.7 | Confident | 139 Ų | 139 | 60.2 Ų | 60.2 | 65% | 0.65 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.7 | -32.7 | 174.6 | -82.5 | -162.2 | -161 | 0 | 0 | 114 | K625 N778 F784 | K625-E780 IonicContact NZ-OE2 2.75Å; K625-E780 PolarHBondContact NZ-OE2 2.64Å; N778-E780 VanDerWaalsContact C-N 3.35Å; N778-E780 PolarHBondContact O-N 2.78Å; E780-F784 VanDerWaalsContact O-CB 3.29Å; E780-F784 WeakPolarHBondContact O-CB 3.13Å; E780-F784 PolarHBondContact O-N 3.48Å |
| 781 | S | 86.9 | Confident | 84 | Confident | 18 Ų | 18 | 63 Ų | 63 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -78.4 | -37.3 | -178.7 | -63.8 | 0 | 0 | 0 | 0 | 111 | N778 V779 V785 | N778-S781 WeakPolarHBondContact O-CA 3.41Å; N778-S781 WeakPolarHBondContact O-CB 2.91Å; N778-S781 PolarHBondContact O-N 3.17Å; V779-S781 VanDerWaalsContact C-N 3.27Å; V779-S781 PolarHBondContact O-N 3.45Å; S781-V785 WeakPolarHBondContact O-CG2 3.38Å; S781-V785 PolarHBondContact O-N 3.35Å |
| 782 | I | 88.3 | Confident | 84.6 | Confident | 21 Ų | 21 | 61.4 Ų | 61.4 | 11% | 0.108 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -54.8 | 175.4 | -69.9 | 162.8 | 0 | 0 | 0 | 109.6 | V764 L767 R768 N778 V779 F784 V785 E786 | V764-I782 HydrophobicContact CG1-CG2 4.12Å; L767-I782 HydrophobicContact CB-CD1 4.11Å; L767-I782 HydrophobicContact CB-CG1 3.61Å; L767-I782 HydrophobicContact CD1-CG1 3.98Å; L767-I782 HydrophobicContact CG-CG1 4.43Å; R768-I782 HydrophobicContact CG-CD1 3.65Å; R768-I782 HydrophobicContact CG-CG1 4.38Å; N778-I782 HydrophobicContact CB-CD1 4.24Å; N778-I782 PolarHBondContact O-N 3.45Å; V779-I782 PolarHBondContact O-N 2.8Å; I782-F784 VanDerWaalsContact C-N 3.25Å; I782-F784 PolarHBondContact O-N 2.7Å; I782-V785 PolarHBondContact O-N 2.65Å; I782-V785 VanDerWaalsContact O-N 3.09Å; I782-E786 VanDerWaalsContact CG2-CD 3.47Å; I782-E786 HydrophobicContact CG2-CG 4.31Å; I782-E786 WeakPolarHBondContact CG2-OE1 3.24Å; I782-E786 WeakPolarHBondContact O-CG 3.31Å; I782-E786 PolarHBondContact O-N 3.23Å |
| 783 | A | 88.3 | Confident | 85.2 | Confident | 53 Ų | 53 | 57.3 Ų | 57.3 | 44% | 0.438 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -59.4 | -34.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V779 E787 | V779-A783 PolarHBondContact O-N 3.38Å; A783-E787 WeakPolarHBondContact O-CB 3.2Å; A783-E787 PolarHBondContact O-N 3.32Å |
| 784 | F | 91 | Very high | 86 | Confident | 67 Ų | 67 | 54.1 Ų | 54.1 | 29% | 0.294 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -67.8 | -38.7 | 176.3 | -179 | -101.9 | 0 | 0 | 0 | 113.1 | K625 E780 I782 M788 | K625-F784 HydrophobicContact CB-CD1 4.12Å; K625-F784 HydrophobicContact CB-CE1 3.74Å; K625-F784 HydrophobicContact CB-CE2 4.29Å; K625-F784 HydrophobicContact CB-CZ 3.84Å; K625-F784 HydrophobicContact CD-CD2 4.27Å; K625-F784 HydrophobicContact CD-CG 4.25Å; K625-F784 HydrophobicContact CG-CD1 4.1Å; K625-F784 HydrophobicContact CG-CE1 4.25Å; K625-F784 HydrophobicContact CG-CG 4.29Å; K625-F784 WeakPolarHBondContact O-CE1 3.3Å; K625-F784 VanDerWaalsContact O-CZ 3.26Å; K625-F784 WeakPolarHBondContact O-CZ 3.47Å; E780-F784 VanDerWaalsContact O-CB 3.29Å; E780-F784 WeakPolarHBondContact O-CB 3.13Å; E780-F784 PolarHBondContact O-N 3.48Å; I782-F784 VanDerWaalsContact C-N 3.25Å; I782-F784 PolarHBondContact O-N 2.7Å; F784-M788 HydrophobicContact CD1-SD 3.96Å; F784-M788 HydrophobicContact CE1-CG 4.49Å; F784-M788 HydrophobicContact CE1-SD 3.39Å; F784-M788 WeakPolarHBondContact CE1-SD 3.46Å; F784-M788 HydrophobicContact CZ-SD 3.79Å; F784-M788 WeakPolarHBondContact O-CG 3.47Å; F784-M788 PolarHBondContact O-N 2.91Å |
| 785 | V | 92.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -75 | -38.2 | 177.2 | 175.3 | 0 | 0 | 0 | 0 | 111 | I623 F704 G760 L763 V764 S781 I782 E787 M788 I789 | I623-V785 HydrophobicContact CD1-CG2 4.36Å; F704-V785 HydrophobicContact CD1-CG1 4.31Å; F704-V785 HydrophobicContact CE1-CB 4.47Å; F704-V785 HydrophobicContact CE1-CG1 3.78Å; F704-V785 HydrophobicContact CE1-CG2 4.4Å; F704-V785 HydrophobicContact CZ-CG1 4.07Å; G760-V785 WeakPolarHBondContact O-CG1 3.25Å; L763-V785 HydrophobicContact CB-CG1 4.48Å; L763-V785 HydrophobicContact CD2-CG1 4.16Å; L763-V785 HydrophobicContact CD2-CG2 3.74Å; L763-V785 HydrophobicContact CG-CG1 4.44Å; L763-V785 HydrophobicContact CG-CG2 4.25Å; V764-V785 HydrophobicContact CG2-CB 3.94Å; V764-V785 HydrophobicContact CG2-CG1 3.68Å; S781-V785 WeakPolarHBondContact O-CG2 3.38Å; S781-V785 PolarHBondContact O-N 3.35Å; I782-V785 PolarHBondContact O-N 2.65Å; I782-V785 VanDerWaalsContact O-N 3.09Å; V785-E787 VanDerWaalsContact C-N 3.34Å; V785-E787 PolarHBondContact O-N 3.15Å; V785-M788 PolarHBondContact O-N 2.96Å; V785-I789 HydrophobicContact CG1-CD1 4.24Å; V785-I789 WeakPolarHBondContact O-CG1 3.48Å; V785-I789 PolarHBondContact O-N 2.79Å |
| 786 | E | 92.8 | Very high | 88 | Confident | 63 Ų | 63 | 50.7 Ų | 50.7 | 29% | 0.294 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -62.1 | -40 | 174.1 | -69.8 | 171.1 | 170.8 | 0 | 0 | 111.6 | V764 R768 I782 I789 N790 | V764-E786 HydrophobicContact CG1-CG 4.47Å; V764-E786 WeakPolarHBondContact CG1-OE1 3.08Å; V764-E786 HydrophobicContact CG2-CG 3.83Å; R768-E786 IonicContact CZ-OE1 2.65Å; R768-E786 IonicContact NE-OE1 3.74Å; R768-E786 IonicContact NH2-OE1 2.68Å; R768-E786 PolarHBondContact NH2-OE1 2.69Å; I782-E786 VanDerWaalsContact CG2-CD 3.47Å; I782-E786 HydrophobicContact CG2-CG 4.31Å; I782-E786 WeakPolarHBondContact CG2-OE1 3.24Å; I782-E786 WeakPolarHBondContact O-CG 3.31Å; I782-E786 PolarHBondContact O-N 3.23Å; E786-I789 PolarHBondContact O-N 3.27Å; E786-N790 PolarHBondContact O-N 3.5Å; E786-N790 PolarHBondContact O-ND2 3.44Å |
| 787 | E | 91.8 | Very high | 88.7 | Confident | 93 Ų | 93 | 53.3 Ų | 53.3 | 44% | 0.435 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 172.1 | 174.9 | 55 | -156.6 | 0 | 0 | 112.8 | A783 V785 I789 N790 Q791 | A783-E787 WeakPolarHBondContact O-CB 3.2Å; A783-E787 PolarHBondContact O-N 3.32Å; V785-E787 VanDerWaalsContact C-N 3.34Å; V785-E787 PolarHBondContact O-N 3.15Å; E787-I789 VanDerWaalsContact C-N 3.32Å; E787-I789 PolarHBondContact O-N 3.2Å; E787-N790 PolarHBondContact O-N 2.76Å; E787-Q791 WeakPolarHBondContact O-CG 3.02Å; E787-Q791 PolarHBondContact O-N 3.45Å; E787-Q791 PolarHBondContact OE1-NE2 3.37Å |
| 788 | M | 95 | Very high | 89.2 | Confident | 13 Ų | 13 | 49.8 Ų | 49.8 | 6% | 0.064 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -36.7 | 174.5 | -71.2 | 175 | 68.2 | 0 | 0 | 112.3 | F704 F708 F784 V785 Q791 V792 | F704-M788 HydrophobicContact CD1-CE 4.29Å; F704-M788 HydrophobicContact CE1-CB 3.95Å; F704-M788 HydrophobicContact CE1-CE 3.6Å; F704-M788 HydrophobicContact CE1-SD 3.84Å; F704-M788 HydrophobicContact CZ-CB 3.74Å; F704-M788 HydrophobicContact CZ-CE 4.16Å; F708-M788 HydrophobicContact CB-CE 3.94Å; F708-M788 HydrophobicContact CD1-CE 3.41Å; F708-M788 VanDerWaalsContact CD1-CE 3.41Å; F708-M788 HydrophobicContact CD2-CB 4.1Å; F708-M788 HydrophobicContact CD2-CE 3.65Å; F708-M788 HydrophobicContact CE1-CE 3.75Å; F708-M788 HydrophobicContact CE2-CB 3.79Å; F708-M788 HydrophobicContact CE2-CE 3.96Å; F708-M788 HydrophobicContact CE2-CG 4.15Å; F708-M788 WeakPolarHBondContact CE2-O 3.39Å; F708-M788 HydrophobicContact CG-CE 3.36Å; F708-M788 HydrophobicContact CZ-CB 4.38Å; F708-M788 HydrophobicContact CZ-CE 4Å; F708-M788 HydrophobicContact CZ-CG 4.25Å; F784-M788 HydrophobicContact CD1-SD 3.96Å; F784-M788 HydrophobicContact CE1-CG 4.49Å; F784-M788 HydrophobicContact CE1-SD 3.39Å; F784-M788 WeakPolarHBondContact CE1-SD 3.46Å; F784-M788 HydrophobicContact CZ-SD 3.79Å; F784-M788 WeakPolarHBondContact O-CG 3.47Å; F784-M788 PolarHBondContact O-N 2.91Å; V785-M788 PolarHBondContact O-N 2.96Å; M788-Q791 PolarHBondContact O-N 2.89Å; M788-V792 WeakPolarHBondContact O-CG2 3.37Å; M788-V792 PolarHBondContact O-N 2.95Å |
| 789 | I | 94.6 | Very high | 89.3 | Confident | 17 Ų | 17 | 49.7 Ų | 49.7 | 9% | 0.087 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -64.1 | -45 | 173.7 | -67.6 | 166.7 | 0 | 0 | 0 | 110.7 | F704 R757 V761 V785 E786 E787 Q791 V792 D793 | F704-I789 HydrophobicContact CE2-CG1 4.38Å; F704-I789 HydrophobicContact CZ-CG1 4.24Å; R757-I789 HydrophobicContact CG-CG2 4.07Å; V761-I789 HydrophobicContact CG2-CD1 4.04Å; V785-I789 HydrophobicContact CG1-CD1 4.24Å; V785-I789 WeakPolarHBondContact O-CG1 3.48Å; V785-I789 PolarHBondContact O-N 2.79Å; E786-I789 PolarHBondContact O-N 3.27Å; E787-I789 VanDerWaalsContact C-N 3.32Å; E787-I789 PolarHBondContact O-N 3.2Å; I789-Q791 VanDerWaalsContact C-N 3.27Å; I789-Q791 PolarHBondContact O-N 2.94Å; I789-V792 PolarHBondContact O-N 3.4Å; I789-D793 PolarHBondContact O-N 3.18Å |
| 790 | N | 91.8 | Very high | 89.3 | Confident | 90 Ų | 90 | 47.4 Ų | 47.4 | 48% | 0.481 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -59.4 | -37.5 | 177.3 | -65.8 | -27.8 | 0 | 0 | 0 | 112.2 | E786 E787 A794 | E786-N790 PolarHBondContact O-N 3.5Å; E786-N790 PolarHBondContact O-ND2 3.44Å; E787-N790 PolarHBondContact O-N 2.76Å; N790-A794 VanDerWaalsContact O-CB 3.24Å; N790-A794 WeakPolarHBondContact O-CB 3.42Å; N790-A794 PolarHBondContact O-N 3.37Å |
| 791 | Q | 92.4 | Very high | 89.2 | Confident | 77 Ų | 77 | 47.3 Ų | 47.3 | 36% | 0.36 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.7 | -40.2 | 176.6 | -70.6 | 173.5 | 22.4 | 0 | 0 | 112.5 | E787 M788 I789 K795 | E787-Q791 WeakPolarHBondContact O-CG 3.02Å; E787-Q791 PolarHBondContact O-N 3.45Å; E787-Q791 PolarHBondContact OE1-NE2 3.37Å; M788-Q791 PolarHBondContact O-N 2.89Å; I789-Q791 VanDerWaalsContact C-N 3.27Å; I789-Q791 PolarHBondContact O-N 2.94Å; Q791-K795 WeakPolarHBondContact O-CB 3.49Å; Q791-K795 PolarHBondContact O-N 3.32Å |
| 792 | V | 92.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 174.5 | 170.9 | 0 | 0 | 0 | 0 | 110.8 | F708 T753 T756 M788 I789 A794 K795 Q796 | F708-V792 HydrophobicContact CD2-CG2 3.64Å; F708-V792 HydrophobicContact CE2-CG2 3.8Å; T753-V792 HydrophobicContact CG2-CG1 3.5Å; T753-V792 VanDerWaalsContact CG2-CG1 3.5Å; T756-V792 HydrophobicContact CG2-CG2 4.45Å; M788-V792 WeakPolarHBondContact O-CG2 3.37Å; M788-V792 PolarHBondContact O-N 2.95Å; I789-V792 PolarHBondContact O-N 3.4Å; V792-A794 PolarHBondContact O-N 3.06Å; V792-K795 PolarHBondContact O-N 3.31Å; V792-Q796 WeakPolarHBondContact O-CB 3.39Å; V792-Q796 PolarHBondContact O-N 3.33Å |
| 793 | D | 91.3 | Very high | 88.7 | Confident | 42 Ų | 42 | 48.9 Ų | 48.9 | 23% | 0.225 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 179.1 | -74.9 | -9 | 0 | 0 | 0 | 112.3 | R757 I789 Q796 A797 | R757-D793 VanDerWaalsContact CD-OD1 3.28Å; R757-D793 WeakPolarHBondContact CD-OD1 3.38Å; R757-D793 IonicContact CZ-OD1 3.07Å; R757-D793 IonicContact CZ-OD2 3.91Å; R757-D793 VanDerWaalsContact CZ-OD2 3.24Å; R757-D793 VanDerWaalsContact NE-CG 3.25Å; R757-D793 IonicContact NE-OD1 2.66Å; R757-D793 PolarHBondContact NE-OD1 3.45Å; R757-D793 IonicContact NE-OD2 3.31Å; R757-D793 PolarHBondContact NE-OD2 3.19Å; R757-D793 IonicContact NH2-OD1 2.86Å; R757-D793 IonicContact NH2-OD2 2.76Å; R757-D793 PolarHBondContact NH2-OD2 3.35Å; I789-D793 PolarHBondContact O-N 3.18Å; D793-Q796 PolarHBondContact O-N 2.94Å; D793-A797 WeakPolarHBondContact O-CB 3.4Å; D793-A797 PolarHBondContact O-N 3.26Å |
| 794 | A | 87.1 | Confident | 88.4 | Confident | 65 Ų | 65 | 52.2 Ų | 52.2 | 54% | 0.537 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -67.3 | -40.7 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | N790 V792 S798 | N790-A794 VanDerWaalsContact O-CB 3.24Å; N790-A794 WeakPolarHBondContact O-CB 3.42Å; N790-A794 PolarHBondContact O-N 3.37Å; V792-A794 PolarHBondContact O-N 3.06Å; A794-S798 PolarHBondContact O-N 3.29Å |
| 795 | K | 87 | Confident | 87.8 | Confident | 41 Ų | 41 | 53 Ų | 53 | 18% | 0.178 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 173 | -88.6 | -97.6 | 176.2 | 173.6 | 0 | 111.2 | M712 M715 N716 E719 Q791 V792 A797 S798 F799 | M712-K795 HydrophobicContact CE-CG 4.26Å; M712-K795 HydrophobicContact SD-CG 4.23Å; M715-K795 HydrophobicContact CB-CD 4.35Å; M715-K795 HydrophobicContact SD-CB 3.67Å; M715-K795 HydrophobicContact SD-CD 4.35Å; M715-K795 HydrophobicContact SD-CG 4.41Å; N716-K795 PolarHBondContact OD1-NZ 3.45Å; E719-K795 IonicContact OE1-NZ 2.83Å; E719-K795 PolarHBondContact OE1-NZ 3.07Å; E719-K795 IonicContact OE2-NZ 2.85Å; E719-K795 PolarHBondContact OE2-NZ 3.5Å; Q791-K795 WeakPolarHBondContact O-CB 3.49Å; Q791-K795 PolarHBondContact O-N 3.32Å; V792-K795 PolarHBondContact O-N 3.31Å; K795-A797 PolarHBondContact O-N 2.92Å; K795-S798 PolarHBondContact O-N 3.2Å; K795-F799 HydrophobicContact CD-CE2 4.35Å; K795-F799 WeakPolarHBondContact O-CD2 3.41Å; K795-F799 PolarHBondContact O-N 3.26Å |
| 796 | Q | 90.6 | Very high | 87.2 | Confident | 20 Ų | 20 | 53.8 Ų | 53.8 | 9% | 0.093 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59.6 | -45.2 | 177.8 | -175.5 | 66.9 | 11.5 | 0 | 0 | 111.8 | M715 T753 V792 D793 S798 F799 E800 | M715-Q796 HydrophobicContact CE-CB 4.43Å; T753-Q796 HydrophobicContact CG2-CB 3.8Å; T753-Q796 HydrophobicContact CG2-CG 3.92Å; T753-Q796 PolarHBondContact OG1-OE1 3.15Å; V792-Q796 WeakPolarHBondContact O-CB 3.39Å; V792-Q796 PolarHBondContact O-N 3.33Å; D793-Q796 PolarHBondContact O-N 2.94Å; Q796-S798 VanDerWaalsContact C-N 3.29Å; Q796-S798 PolarHBondContact O-N 3.19Å; Q796-F799 PolarHBondContact O-N 3.27Å; Q796-F799 VanDerWaalsContact O-N 3.09Å; Q796-E800 HydrophobicContact CG-CG 4.17Å; Q796-E800 PolarHBondContact NE2-OE1 2.95Å; Q796-E800 WeakPolarHBondContact O-CG 3.46Å; Q796-E800 PolarHBondContact O-N 3.22Å |
| 797 | A | 85 | Confident | 86.8 | Confident | 61 Ų | 61 | 57.6 Ų | 57.6 | 50% | 0.504 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -57.7 | -41.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D793 K795 E801 | D793-A797 WeakPolarHBondContact O-CB 3.4Å; D793-A797 PolarHBondContact O-N 3.26Å; K795-A797 PolarHBondContact O-N 2.92Å; A797-E801 PolarHBondContact O-N 3.46Å |
| 798 | S | 85.5 | Confident | 86.3 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 43% | 0.427 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 175.3 | -174.1 | 0 | 0 | 0 | 0 | 113.1 | A794 K795 Q796 K802 | A794-S798 PolarHBondContact O-N 3.29Å; K795-S798 PolarHBondContact O-N 3.2Å; Q796-S798 VanDerWaalsContact C-N 3.29Å; Q796-S798 PolarHBondContact O-N 3.19Å; S798-K802 WeakPolarHBondContact O-CG 3.41Å; S798-K802 PolarHBondContact O-N 3.13Å |
| 799 | F | 84.2 | Confident | 85.6 | Confident | 2 Ų | 2 | 58.2 Ų | 58.2 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -72.5 | -38.4 | 176.7 | -88.2 | -72.8 | 0 | 0 | 0 | 112.7 | M715 L718 E719 K795 Q796 E801 K802 W803 | M715-F799 HydrophobicContact CB-CE2 3.85Å; M715-F799 HydrophobicContact CB-CZ 4.48Å; M715-F799 HydrophobicContact CG-CD2 4.3Å; M715-F799 HydrophobicContact CG-CE2 4.11Å; M715-F799 VanDerWaalsContact O-CZ 3.25Å; M715-F799 WeakPolarHBondContact O-CZ 3.46Å; L718-F799 HydrophobicContact CB-CE1 3.81Å; L718-F799 HydrophobicContact CB-CZ 3.97Å; E719-F799 HydrophobicContact CB-CZ 4.34Å; E719-F799 HydrophobicContact CG-CE2 4.49Å; E719-F799 HydrophobicContact CG-CZ 3.83Å; K795-F799 HydrophobicContact CD-CE2 4.35Å; K795-F799 WeakPolarHBondContact O-CD2 3.41Å; K795-F799 PolarHBondContact O-N 3.26Å; Q796-F799 PolarHBondContact O-N 3.27Å; Q796-F799 VanDerWaalsContact O-N 3.09Å; F799-E801 PolarHBondContact O-N 3.38Å; F799-K802 HydrophobicContact CD1-CD 4.44Å; F799-K802 PolarHBondContact O-N 2.82Å; F799-W803 HydrophobicContact CB-CD2 4.2Å; F799-W803 HydrophobicContact CB-CE3 4.36Å; F799-W803 HydrophobicContact CB-CH2 4.17Å; F799-W803 HydrophobicContact CB-CZ2 4Å; F799-W803 HydrophobicContact CB-CZ3 4.36Å; F799-W803 AromaticContact CD1-CE2 3.98Å; F799-W803 HydrophobicContact CD1-CZ2 4.13Å; F799-W803 AromaticContact CD1-NE1 3.81Å; F799-W803 HydrophobicContact CG-CZ2 4.24Å; F799-W803 VanDerWaalsContact O-CB 3.25Å; F799-W803 WeakPolarHBondContact O-CB 3.39Å; F799-W803 PolarHBondContact O-N 2.71Å |
| 800 | E | 84.2 | Confident | 85.1 | Confident | 53 Ų | 53 | 58.6 Ų | 58.6 | 25% | 0.248 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -65 | -23.6 | 178.4 | -66 | -73.9 | -170.9 | 0 | 0 | 113.2 | R750 Q796 W803 K804 | R750-E800 IonicContact CZ-OE1 3.38Å; R750-E800 IonicContact CZ-OE2 3.71Å; R750-E800 IonicContact NE-OE1 2.88Å; R750-E800 PolarHBondContact NE-OE1 3.12Å; R750-E800 IonicContact NE-OE2 2.84Å; R750-E800 VanDerWaalsContact NH2-CD 3.31Å; R750-E800 IonicContact NH2-OE1 2.62Å; R750-E800 PolarHBondContact NH2-OE1 3.44Å; R750-E800 VanDerWaalsContact NH2-OE1 3.07Å; R750-E800 IonicContact NH2-OE2 3.56Å; R750-E800 PolarHBondContact NH2-OE2 3.04Å; Q796-E800 HydrophobicContact CG-CG 4.17Å; Q796-E800 PolarHBondContact NE2-OE1 2.95Å; Q796-E800 WeakPolarHBondContact O-CG 3.46Å; Q796-E800 PolarHBondContact O-N 3.22Å; E800-W803 HydrophobicContact CG-CE3 4.47Å; E800-K804 WeakPolarHBondContact O-CD 3.46Å; E800-K804 WeakPolarHBondContact O-CE 3.27Å; E800-K804 VanDerWaalsContact O-CG 3.28Å; E800-K804 WeakPolarHBondContact O-CG 3.35Å |
| 801 | E | 80 | Confident | 84.7 | Confident | 136 Ų | 136 | 56.6 Ų | 56.6 | 64% | 0.636 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -76.3 | -48.6 | 169.6 | -62.7 | -138.5 | 122.5 | 0 | 0 | 112.2 | A797 F799 W803 K804 | A797-E801 PolarHBondContact O-N 3.46Å; F799-E801 PolarHBondContact O-N 3.38Å; E801-W803 VanDerWaalsContact C-N 3.33Å; E801-W803 PolarHBondContact O-N 3.37Å; E801-K804 WeakPolarHBondContact O-CB 3.5Å; E801-K804 PolarHBondContact O-N 2.86Å |
| 802 | K | 80.5 | Confident | 84.3 | Confident | 61 Ų | 61 | 53 Ų | 53 | 27% | 0.265 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -56.9 | -45.3 | 176 | -71.2 | 172 | 160.2 | -158.5 | 0 | 112.2 | E722 S798 F799 K804 V805 Q806 | E722-K802 VanDerWaalsContact OE1-CD 3.28Å; E722-K802 WeakPolarHBondContact OE1-CD 3.2Å; E722-K802 IonicContact OE1-NZ 2.66Å; E722-K802 WeakPolarHBondContact OE2-CE 3.46Å; E722-K802 IonicContact OE2-NZ 3.68Å; E722-K802 PolarHBondContact OE2-NZ 3.23Å; S798-K802 WeakPolarHBondContact O-CG 3.41Å; S798-K802 PolarHBondContact O-N 3.13Å; F799-K802 HydrophobicContact CD1-CD 4.44Å; F799-K802 PolarHBondContact O-N 2.82Å; K802-K804 VanDerWaalsContact C-N 3.3Å; K802-K804 PolarHBondContact O-N 3.4Å; K802-V805 WeakPolarHBondContact O-CB 3.34Å; K802-V805 PolarHBondContact O-N 3.43Å; K802-V805 VanDerWaalsContact O-N 3.11Å; K802-Q806 WeakPolarHBondContact O-CG 3.05Å; K802-Q806 PolarHBondContact O-N 3.04Å |
| 803 | W | 85.3 | Confident | 83.9 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.1 | -30.3 | -179.7 | -74.8 | -15.4 | 0 | 0 | 0 | 113.5 | L718 W742 A746 T749 F799 E800 E801 R807 | L718-W803 HydrophobicContact CD1-CZ2 4.31Å; W742-W803 HydrophobicContact CZ2-CB 3.82Å; W742-W803 HydrophobicContact CZ2-CG 4.14Å; W742-W803 VanDerWaalsContact CZ2-O 3.3Å; W742-W803 WeakPolarHBondContact CZ2-O 3.44Å; W742-W803 AromaticContact NE1-CD1 3.94Å; A746-W803 HydrophobicContact CB-CD2 4.03Å; A746-W803 HydrophobicContact CB-CE3 4.14Å; A746-W803 HydrophobicContact CB-CH2 4.37Å; A746-W803 HydrophobicContact CB-CZ2 4.25Å; A746-W803 HydrophobicContact CB-CZ3 4.3Å; T749-W803 HydrophobicContact CG2-CH2 3.88Å; T749-W803 HydrophobicContact CG2-CZ2 4.21Å; F799-W803 HydrophobicContact CB-CD2 4.2Å; F799-W803 HydrophobicContact CB-CE3 4.36Å; F799-W803 HydrophobicContact CB-CH2 4.17Å; F799-W803 HydrophobicContact CB-CZ2 4Å; F799-W803 HydrophobicContact CB-CZ3 4.36Å; F799-W803 AromaticContact CD1-CE2 3.98Å; F799-W803 HydrophobicContact CD1-CZ2 4.13Å; F799-W803 AromaticContact CD1-NE1 3.81Å; F799-W803 HydrophobicContact CG-CZ2 4.24Å; F799-W803 VanDerWaalsContact O-CB 3.25Å; F799-W803 WeakPolarHBondContact O-CB 3.39Å; F799-W803 PolarHBondContact O-N 2.71Å; E800-W803 HydrophobicContact CG-CE3 4.47Å; E801-W803 VanDerWaalsContact C-N 3.33Å; E801-W803 PolarHBondContact O-N 3.37Å; W803-R807 WeakPolarHBondContact O-CB 3.22Å; W803-R807 PolarHBondContact O-N 3.4Å |
| 804 | K | 80.7 | Confident | 83.6 | Confident | 123 Ų | 123 | 52.9 Ų | 52.9 | 54% | 0.535 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | 171.6 | -68.6 | 159.4 | -166 | 165.3 | 0 | 111.1 | E800 E801 K802 F808 | E800-K804 WeakPolarHBondContact O-CD 3.46Å; E800-K804 WeakPolarHBondContact O-CE 3.27Å; E800-K804 VanDerWaalsContact O-CG 3.28Å; E800-K804 WeakPolarHBondContact O-CG 3.35Å; E801-K804 WeakPolarHBondContact O-CB 3.5Å; E801-K804 PolarHBondContact O-N 2.86Å; K802-K804 VanDerWaalsContact C-N 3.3Å; K802-K804 PolarHBondContact O-N 3.4Å; K804-F808 PolarHBondContact O-N 2.93Å |
| 805 | V | 79.5 | Confident | 83.6 | Confident | 84 Ų | 84 | 52.6 Ų | 52.6 | 51% | 0.509 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.1 | -52.3 | 178.7 | -176.5 | 0 | 0 | 0 | 0 | 110.2 | K802 R807 F808 Q809 | K802-V805 WeakPolarHBondContact O-CB 3.34Å; K802-V805 PolarHBondContact O-N 3.43Å; K802-V805 VanDerWaalsContact O-N 3.11Å; V805-R807 VanDerWaalsContact C-N 3.28Å; V805-R807 PolarHBondContact O-N 2.91Å; V805-F808 WeakPolarHBondContact O-CB 3.35Å; V805-F808 PolarHBondContact O-N 3.43Å; V805-Q809 HydrophobicContact CG1-CG 4.47Å; V805-Q809 WeakPolarHBondContact O-CG 3.37Å; V805-Q809 PolarHBondContact O-N 2.85Å |
| 806 | Q | 80.1 | Confident | 83.6 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 8% | 0.075 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.8 | -39.8 | 179.8 | -64 | 174.3 | 7.2 | 0 | 0 | 112.4 | E722 I725 K802 F808 Q809 L810 | E722-Q806 VanDerWaalsContact CG-NE2 3.25Å; E722-Q806 PolarHBondContact OE1-NE2 2.9Å; I725-Q806 HydrophobicContact CD1-CB 4.35Å; I725-Q806 HydrophobicContact CD1-CG 3.67Å; K802-Q806 WeakPolarHBondContact O-CG 3.05Å; K802-Q806 PolarHBondContact O-N 3.04Å; Q806-F808 PolarHBondContact O-N 2.94Å; Q806-Q809 PolarHBondContact O-N 3.24Å; Q806-L810 WeakPolarHBondContact O-CG 3.38Å; Q806-L810 PolarHBondContact O-N 3.08Å |
| 807 | R | 84 | Confident | 83.5 | Confident | 143 Ų | 143 | 50.4 Ų | 50.4 | 54% | 0.54 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 174.8 | -173.4 | 177.5 | 173.5 | 167.5 | -0.6 | 112.1 | F739 W742 W803 V805 N811 | F739-R807 HydrophobicContact CE2-CG 4.31Å; W742-R807 HydrophobicContact CH2-CB 3.56Å; W742-R807 HydrophobicContact CH2-CG 3.88Å; W742-R807 HydrophobicContact CZ2-CB 3.92Å; W742-R807 HydrophobicContact CZ3-CB 4.07Å; W742-R807 HydrophobicContact CZ3-CG 3.99Å; W803-R807 WeakPolarHBondContact O-CB 3.22Å; W803-R807 PolarHBondContact O-N 3.4Å; V805-R807 VanDerWaalsContact C-N 3.28Å; V805-R807 PolarHBondContact O-N 2.91Å; R807-N811 WeakPolarHBondContact O-CB 3.27Å; R807-N811 PolarHBondContact O-N 3.05Å |
| 808 | F | 80.5 | Confident | 83.7 | Confident | 98 Ų | 98 | 49.8 Ų | 49.8 | 43% | 0.43 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -63.2 | -46.9 | 175.3 | -99.7 | -88.1 | 0 | 0 | 0 | 111.3 | K804 V805 Q806 L810 N811 I812 L880 | K804-F808 PolarHBondContact O-N 2.93Å; V805-F808 WeakPolarHBondContact O-CB 3.35Å; V805-F808 PolarHBondContact O-N 3.43Å; Q806-F808 PolarHBondContact O-N 2.94Å; F808-L810 PolarHBondContact O-N 3.24Å; F808-N811 PolarHBondContact O-N 3.23Å; F808-I812 VanDerWaalsContact O-CG1 3.28Å; F808-I812 WeakPolarHBondContact O-CG1 3.32Å; F808-I812 PolarHBondContact O-N 2.93Å; F808-L880 HydrophobicContact CE1-CD2 4.22Å |
| 809 | Q | 81.6 | Confident | 83.9 | Confident | 22 Ų | 22 | 46.9 Ų | 46.9 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.1 | -50.2 | 178.9 | -62.6 | -175.3 | -69.3 | 0 | 0 | 112.2 | I725 N726 V805 Q806 I812 A813 V886 | I725-Q809 HydrophobicContact CG2-CB 4.14Å; N726-Q809 PolarHBondContact OD1-NE2 2.69Å; N726-Q809 VanDerWaalsContact OD1-NE2 3.08Å; V805-Q809 HydrophobicContact CG1-CG 4.47Å; V805-Q809 WeakPolarHBondContact O-CG 3.37Å; V805-Q809 PolarHBondContact O-N 2.85Å; Q806-Q809 PolarHBondContact O-N 3.24Å; Q809-I812 PolarHBondContact O-N 3.36Å; Q809-A813 WeakPolarHBondContact O-CB 3.31Å; Q809-A813 PolarHBondContact O-N 2.89Å; Q809-V886 HydrophobicContact CG-CG1 3.94Å; Q809-V886 HydrophobicContact CG-CG2 3.98Å |
| 810 | L | 83 | Confident | 84 | Confident | 24 Ų | 24 | 48.8 Ų | 48.8 | 13% | 0.126 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.1 | -34 | -179.1 | -66.8 | 171.9 | 0 | 0 | 0 | 112.6 | I725 N738 F739 W742 Q806 F808 L814 | I725-L810 HydrophobicContact CG2-CD2 4.37Å; I725-L810 HydrophobicContact CG2-CG 4.47Å; N738-L810 HydrophobicContact CB-CD2 4.3Å; F739-L810 HydrophobicContact CD2-CB 3.84Å; W742-L810 HydrophobicContact CB-CD1 3.59Å; W742-L810 HydrophobicContact CD2-CD1 4.1Å; W742-L810 HydrophobicContact CG-CD1 3.54Å; Q806-L810 WeakPolarHBondContact O-CG 3.38Å; Q806-L810 PolarHBondContact O-N 3.08Å; F808-L810 PolarHBondContact O-N 3.24Å; L810-L814 WeakPolarHBondContact O-CB 3.22Å; L810-L814 PolarHBondContact O-N 3.41Å |
| 811 | N | 84.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 51.5 Ų | 51.5 | 26% | 0.257 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.5 | -46.4 | 174.8 | -177 | 39.6 | 0 | 0 | 0 | 111.6 | F739 R807 F808 A813 L814 Q815 | F739-N811 HydrophobicContact CE2-CB 4.29Å; R807-N811 WeakPolarHBondContact O-CB 3.27Å; R807-N811 PolarHBondContact O-N 3.05Å; F808-N811 PolarHBondContact O-N 3.23Å; N811-A813 PolarHBondContact O-N 3.11Å; N811-L814 PolarHBondContact O-N 2.69Å; N811-Q815 PolarHBondContact ND2-NE2 2.71Å; N811-Q815 WeakPolarHBondContact O-CG 3.31Å; N811-Q815 PolarHBondContact O-N 2.7Å; N811-Q815 PolarHBondContact OD1-NE2 2.79Å |
| 812 | I | 84.4 | Confident | 84.4 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.8 | -43.6 | 176.2 | -64 | 163.7 | 0 | 0 | 0 | 110.5 | F808 Q809 L814 Q815 F816 L880 I881 S884 L888 | F808-I812 VanDerWaalsContact O-CG1 3.28Å; F808-I812 WeakPolarHBondContact O-CG1 3.32Å; F808-I812 PolarHBondContact O-N 2.93Å; Q809-I812 PolarHBondContact O-N 3.36Å; I812-L814 VanDerWaalsContact C-N 3.35Å; I812-L814 PolarHBondContact O-N 3.48Å; I812-Q815 PolarHBondContact O-N 2.89Å; I812-F816 WeakPolarHBondContact O-CB 3.43Å; I812-F816 PolarHBondContact O-N 3.01Å; I812-L880 HydrophobicContact CD1-CB 4.37Å; I812-L880 WeakPolarHBondContact CD1-O 3.43Å; I812-L880 HydrophobicContact CG1-CB 3.96Å; I812-I881 HydrophobicContact CG2-CD1 4.34Å; I812-I881 HydrophobicContact CG2-CG1 3.66Å; I812-S884 WeakPolarHBondContact CD1-OG 3.29Å; I812-L888 HydrophobicContact CB-CD1 3.99Å; I812-L888 HydrophobicContact CG2-CD1 3.65Å |
| 813 | A | 82.8 | Confident | 84.7 | Confident | 10 Ų | 10 | 45.4 Ų | 45.4 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -58.1 | -43.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I728 Q809 N811 R817 L888 | I728-A813 HydrophobicContact CB-CB 4.45Å; I728-A813 HydrophobicContact CD1-CB 4.44Å; I728-A813 HydrophobicContact CG1-CB 3.82Å; I728-A813 HydrophobicContact CG2-CB 4.18Å; Q809-A813 WeakPolarHBondContact O-CB 3.31Å; Q809-A813 PolarHBondContact O-N 2.89Å; N811-A813 PolarHBondContact O-N 3.11Å; A813-R817 PolarHBondContact O-N 2.67Å; A813-L888 HydrophobicContact CB-CD1 4.42Å |
| 814 | L | 85.9 | Confident | 84.7 | Confident | 31 Ų | 31 | 49.6 Ų | 49.6 | 16% | 0.162 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -68.1 | -50.3 | 176.5 | 176 | 56.8 | 0 | 0 | 0 | 111.9 | I732 C735 E736 L810 N811 I812 F816 R817 V818 | I732-L814 HydrophobicContact CG2-CD1 4.11Å; C735-L814 HydrophobicContact CB-CB 4.19Å; C735-L814 HydrophobicContact CB-CD1 3.86Å; E736-L814 HydrophobicContact CG-CD1 3.66Å; E736-L814 HydrophobicContact CG-CD2 4.41Å; L810-L814 WeakPolarHBondContact O-CB 3.22Å; L810-L814 PolarHBondContact O-N 3.41Å; N811-L814 PolarHBondContact O-N 2.69Å; I812-L814 VanDerWaalsContact C-N 3.35Å; I812-L814 PolarHBondContact O-N 3.48Å; L814-F816 VanDerWaalsContact C-N 3.31Å; L814-F816 PolarHBondContact O-N 2.75Å; L814-R817 PolarHBondContact O-N 2.74Å; L814-R817 VanDerWaalsContact O-N 3.14Å; L814-V818 HydrophobicContact CD1-CG2 4.14Å; L814-V818 WeakPolarHBondContact O-CG2 3.2Å; L814-V818 PolarHBondContact O-N 3.47Å |
| 815 | Q | 87.1 | Confident | 84.9 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 28% | 0.276 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.6 | -38.8 | -178.8 | -69.3 | -174.1 | 30.3 | 0 | 0 | 112.2 | N811 I812 R817 V818 F819 V877 | N811-Q815 PolarHBondContact ND2-NE2 2.71Å; N811-Q815 WeakPolarHBondContact O-CG 3.31Å; N811-Q815 PolarHBondContact O-N 2.7Å; N811-Q815 PolarHBondContact OD1-NE2 2.79Å; I812-Q815 PolarHBondContact O-N 2.89Å; Q815-R817 PolarHBondContact O-N 2.7Å; Q815-V818 PolarHBondContact O-N 2.8Å; Q815-F819 WeakPolarHBondContact O-CB 3.21Å; Q815-F819 PolarHBondContact O-N 3.05Å; Q815-V877 HydrophobicContact CB-CG2 3.73Å |
| 816 | F | 87.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.4 | -44.7 | 173.2 | 167.3 | -109 | 0 | 0 | 0 | 112.8 | I728 I812 L814 F819 E820 V877 V890 V896 C899 I900 | I728-F816 HydrophobicContact CD1-CD1 3.92Å; I728-F816 HydrophobicContact CD1-CE1 4.5Å; I728-F816 HydrophobicContact CG2-CD1 4.48Å; I812-F816 WeakPolarHBondContact O-CB 3.43Å; I812-F816 PolarHBondContact O-N 3.01Å; L814-F816 VanDerWaalsContact C-N 3.31Å; L814-F816 PolarHBondContact O-N 2.75Å; F816-F819 HydrophobicContact CD2-CD1 4.45Å; F816-F819 PolarHBondContact O-N 3.26Å; F816-E820 HydrophobicContact CE2-CB 4.45Å; F816-E820 HydrophobicContact CZ-CB 4.41Å; F816-E820 WeakPolarHBondContact O-CB 3.49Å; F816-E820 PolarHBondContact O-N 3.32Å; F816-V877 HydrophobicContact CB-CG1 4.36Å; F816-V890 HydrophobicContact CE1-CG1 4.37Å; F816-V890 HydrophobicContact CE1-CG2 3.69Å; F816-V890 HydrophobicContact CZ-CG2 3.81Å; F816-V896 HydrophobicContact CB-CG1 4.07Å; F816-V896 HydrophobicContact CD1-CG1 4.33Å; F816-V896 HydrophobicContact CD1-CG2 4.29Å; F816-V896 HydrophobicContact CD2-CG1 3.54Å; F816-V896 HydrophobicContact CE2-CG1 4.08Å; F816-V896 HydrophobicContact CG-CG1 3.68Å; F816-V896 HydrophobicContact CG-CG2 4.42Å; F816-C899 HydrophobicContact CE2-CB 3.8Å; F816-C899 HydrophobicContact CZ-CB 3.79Å; F816-I900 HydrophobicContact CD2-CD1 4.24Å; F816-I900 HydrophobicContact CD2-CG1 3.9Å; F816-I900 HydrophobicContact CE2-CG1 4.09Å |
| 817 | R | 88.1 | Confident | 85.4 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 6% | 0.057 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -71 | -31 | 179.3 | -71.8 | -59 | -160.7 | -168.5 | 0.4 | 113.2 | I728 G729 I732 A813 L814 Q815 E820 Q821 S891 | I728-R817 HydrophobicContact CG2-CG 3.67Å; G729-R817 VanDerWaalsContact O-CZ 3.23Å; G729-R817 PolarHBondContact O-NE 3.46Å; G729-R817 PolarHBondContact O-NH2 3.5Å; I732-R817 HydrophobicContact CG1-CB 3.99Å; A813-R817 PolarHBondContact O-N 2.67Å; L814-R817 PolarHBondContact O-N 2.74Å; L814-R817 VanDerWaalsContact O-N 3.14Å; Q815-R817 PolarHBondContact O-N 2.7Å; R817-E820 WeakPolarHBondContact CD-OE2 3.29Å; R817-E820 IonicContact CZ-OE2 3.57Å; R817-E820 IonicContact NE-OE2 3.27Å; R817-E820 IonicContact NH1-OE1 2.67Å; R817-E820 PolarHBondContact NH1-OE1 3.25Å; R817-E820 IonicContact NH1-OE2 2.67Å; R817-E820 PolarHBondContact NH1-OE2 2.77Å; R817-Q821 WeakPolarHBondContact O-CB 3.2Å; R817-Q821 PolarHBondContact O-N 3.46Å; R817-Q821 VanDerWaalsContact O-N 3.12Å; R817-S891 PolarHBondContact NH2-OG 3.11Å; R817-S891 VanDerWaalsContact NH2-OG 3.14Å |
| 818 | V | 88.3 | Confident | 85.3 | Confident | 47 Ų | 47 | 40.7 Ų | 40.7 | 29% | 0.285 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -63.1 | -54.2 | 169.5 | 173.9 | 0 | 0 | 0 | 0 | 109.6 | I732 L814 Q815 E820 Q821 D822 | I732-V818 HydrophobicContact CD1-CB 4.49Å; I732-V818 HydrophobicContact CD1-CG2 4.1Å; I732-V818 HydrophobicContact CG1-CG2 4.47Å; I732-V818 HydrophobicContact CG2-CG2 4.3Å; L814-V818 HydrophobicContact CD1-CG2 4.14Å; L814-V818 WeakPolarHBondContact O-CG2 3.2Å; L814-V818 PolarHBondContact O-N 3.47Å; Q815-V818 PolarHBondContact O-N 2.8Å; V818-E820 VanDerWaalsContact C-N 3.34Å; V818-E820 PolarHBondContact O-N 3.32Å; V818-Q821 PolarHBondContact O-N 3.16Å; V818-D822 WeakPolarHBondContact CG1-OD2 3.28Å; V818-D822 WeakPolarHBondContact O-CB 3.28Å; V818-D822 VanDerWaalsContact O-CG 3.31Å; V818-D822 PolarHBondContact O-N 2.86Å |
| 819 | F | 89.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 0% | 0.004 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -53.9 | -44.8 | 176.2 | 165.5 | -93.8 | 0 | 0 | 0 | 113.2 | Q815 F816 S823 I870 A874 I900 L903 | Q815-F819 WeakPolarHBondContact O-CB 3.21Å; Q815-F819 PolarHBondContact O-N 3.05Å; F816-F819 HydrophobicContact CD2-CD1 4.45Å; F816-F819 PolarHBondContact O-N 3.26Å; F819-S823 WeakPolarHBondContact CE2-OG 3.27Å; F819-S823 WeakPolarHBondContact CZ-OG 3.47Å; F819-S823 WeakPolarHBondContact O-CB 3.37Å; F819-S823 PolarHBondContact O-N 3.4Å; F819-S823 PolarHBondContact O-OG 3.02Å; F819-I870 HydrophobicContact CD2-CG2 3.99Å; F819-I870 HydrophobicContact CE2-CG2 3.59Å; F819-I870 WeakPolarHBondContact CE2-O 3.34Å; F819-A874 HydrophobicContact CD2-CB 4.27Å; F819-A874 HydrophobicContact CE2-CB 3.57Å; F819-A874 HydrophobicContact CZ-CB 3.97Å; F819-I900 HydrophobicContact CD1-CG1 4.15Å; F819-I900 HydrophobicContact CE1-CB 4.16Å; F819-I900 HydrophobicContact CE1-CG1 3.93Å; F819-I900 HydrophobicContact CE1-CG2 4.02Å; F819-I900 HydrophobicContact CZ-CG2 4.02Å; F819-L903 HydrophobicContact CD1-CD1 4.42Å; F819-L903 HydrophobicContact CE1-CB 4.09Å; F819-L903 HydrophobicContact CE1-CD1 3.76Å; F819-L903 HydrophobicContact CZ-CB 4.06Å; F819-L903 HydrophobicContact CZ-CD1 4.48Å |
| 820 | E | 86.6 | Confident | 85.4 | Confident | 42 Ų | 42 | 39.2 Ų | 39.2 | 20% | 0.196 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -63.4 | -45.7 | 179 | -178.8 | -177.1 | -130.5 | 0 | 0 | 111.9 | F816 R817 V818 I824 L903 | F816-E820 HydrophobicContact CE2-CB 4.45Å; F816-E820 HydrophobicContact CZ-CB 4.41Å; F816-E820 WeakPolarHBondContact O-CB 3.49Å; F816-E820 PolarHBondContact O-N 3.32Å; R817-E820 WeakPolarHBondContact CD-OE2 3.29Å; R817-E820 IonicContact CZ-OE2 3.57Å; R817-E820 IonicContact NE-OE2 3.27Å; R817-E820 IonicContact NH1-OE1 2.67Å; R817-E820 PolarHBondContact NH1-OE1 3.25Å; R817-E820 IonicContact NH1-OE2 2.67Å; R817-E820 PolarHBondContact NH1-OE2 2.77Å; V818-E820 VanDerWaalsContact C-N 3.34Å; V818-E820 PolarHBondContact O-N 3.32Å; E820-I824 HydrophobicContact CG-CD1 4.18Å; E820-I824 WeakPolarHBondContact O-CD1 3.48Å; E820-I824 VanDerWaalsContact O-CG1 3.28Å; E820-I824 WeakPolarHBondContact O-CG1 3.43Å; E820-I824 PolarHBondContact O-N 2.87Å; E820-I824 VanDerWaalsContact O-N 3.1Å; E820-L903 HydrophobicContact CB-CD1 4.31Å; E820-L903 HydrophobicContact CG-CD1 4.15Å |
| 821 | Q | 86.9 | Confident | 85.3 | Confident | 110 Ų | 110 | 42 Ų | 42 | 51% | 0.514 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.7 | -42.4 | 179.2 | -166 | -170.2 | -94.9 | 0 | 0 | 111.8 | I732 R817 V818 S823 I824 S825 | I732-Q821 HydrophobicContact CD1-CB 3.77Å; I732-Q821 VanDerWaalsContact CD1-CD 3.47Å; I732-Q821 HydrophobicContact CD1-CG 4.25Å; R817-Q821 WeakPolarHBondContact O-CB 3.2Å; R817-Q821 PolarHBondContact O-N 3.46Å; R817-Q821 VanDerWaalsContact O-N 3.12Å; V818-Q821 PolarHBondContact O-N 3.16Å; Q821-S823 VanDerWaalsContact C-N 3.34Å; Q821-I824 PolarHBondContact O-N 3.11Å; Q821-S825 WeakPolarHBondContact O-CB 3.45Å; Q821-S825 PolarHBondContact O-N 2.81Å |
| 822 | D | 85.9 | Confident | 85.1 | Confident | 68 Ų | 68 | 41.2 Ų | 41.2 | 36% | 0.364 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -68.3 | -37.1 | -179.6 | -67 | -16.9 | 0 | 0 | 0 | 110.5 | V818 S825 V826 I870 | V818-D822 WeakPolarHBondContact CG1-OD2 3.28Å; V818-D822 WeakPolarHBondContact O-CB 3.28Å; V818-D822 VanDerWaalsContact O-CG 3.31Å; V818-D822 PolarHBondContact O-N 2.86Å; D822-S825 PolarHBondContact O-N 3.42Å; D822-V826 PolarHBondContact O-N 2.7Å; D822-I870 HydrophobicContact CB-CD1 4.24Å; D822-I870 HydrophobicContact CB-CG1 4.41Å; D822-I870 WeakPolarHBondContact O-CD1 3.43Å |
| 823 | S | 87.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.4 | -50.6 | 170.5 | -67.9 | 0 | 0 | 0 | 0 | 112.3 | F819 Q821 S825 V826 I827 I870 | F819-S823 WeakPolarHBondContact CE2-OG 3.27Å; F819-S823 WeakPolarHBondContact CZ-OG 3.47Å; F819-S823 WeakPolarHBondContact O-CB 3.37Å; F819-S823 PolarHBondContact O-N 3.4Å; F819-S823 PolarHBondContact O-OG 3.02Å; Q821-S823 VanDerWaalsContact C-N 3.34Å; S823-S825 VanDerWaalsContact C-N 3.3Å; S823-S825 PolarHBondContact O-N 3.08Å; S823-V826 PolarHBondContact O-N 2.94Å; S823-I827 WeakPolarHBondContact O-CB 3.12Å; S823-I827 WeakPolarHBondContact O-CD1 3.45Å; S823-I827 VanDerWaalsContact O-CG1 3.25Å; S823-I827 WeakPolarHBondContact O-CG1 3.43Å; S823-I827 PolarHBondContact O-N 3.18Å; S823-I870 WeakPolarHBondContact OG-CG2 3.39Å |
| 824 | I | 84.7 | Confident | 84.7 | Confident | 99 Ų | 99 | 43.9 Ų | 43.9 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -38.4 | 178.1 | -67.7 | 164.7 | 0 | 0 | 0 | 110.7 | E820 Q821 S828 | E820-I824 HydrophobicContact CG-CD1 4.18Å; E820-I824 WeakPolarHBondContact O-CD1 3.48Å; E820-I824 VanDerWaalsContact O-CG1 3.28Å; E820-I824 WeakPolarHBondContact O-CG1 3.43Å; E820-I824 PolarHBondContact O-N 2.87Å; E820-I824 VanDerWaalsContact O-N 3.1Å; Q821-I824 PolarHBondContact O-N 3.11Å; I824-S828 PolarHBondContact O-N 2.81Å; I824-S828 VanDerWaalsContact O-N 3.12Å |
| 825 | S | 84.6 | Confident | 84.3 | Confident | 57 Ų | 57 | 47.5 Ų | 47.5 | 40% | 0.399 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -66.5 | -42.1 | 178.2 | -169.1 | 0 | 0 | 0 | 0 | 112.5 | Q821 D822 S823 S828 Q829 | Q821-S825 WeakPolarHBondContact O-CB 3.45Å; Q821-S825 PolarHBondContact O-N 2.81Å; D822-S825 PolarHBondContact O-N 3.42Å; S823-S825 VanDerWaalsContact C-N 3.3Å; S823-S825 PolarHBondContact O-N 3.08Å; S825-S828 PolarHBondContact O-N 3.04Å; S825-Q829 WeakPolarHBondContact O-CG 3.2Å; S825-Q829 PolarHBondContact O-N 3.17Å; S825-Q829 VanDerWaalsContact O-N 3.12Å; S825-Q829 PolarHBondContact O-NE2 2.69Å; S825-Q829 PolarHBondContact OG-NE2 2.9Å |
| 826 | V | 85.2 | Confident | 83.7 | Confident | 13 Ų | 13 | 49.9 Ų | 49.9 | 8% | 0.079 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -73 | -40.1 | 178.8 | 167.2 | 0 | 0 | 0 | 0 | 111.5 | D822 S823 S828 Q829 L830 A866 I867 I870 | D822-V826 PolarHBondContact O-N 2.7Å; S823-V826 PolarHBondContact O-N 2.94Å; V826-S828 VanDerWaalsContact C-N 3.29Å; V826-S828 PolarHBondContact O-N 3.22Å; V826-Q829 PolarHBondContact O-N 3.1Å; V826-L830 HydrophobicContact CG1-CD1 3.88Å; V826-L830 HydrophobicContact CG1-CG 4.11Å; V826-L830 WeakPolarHBondContact O-CB 3.36Å; V826-L830 VanDerWaalsContact O-CG 3.29Å; V826-L830 WeakPolarHBondContact O-CG 3.26Å; V826-L830 PolarHBondContact O-N 3.46Å; V826-A866 HydrophobicContact CG2-CB 4.11Å; V826-I867 HydrophobicContact CG1-CG1 4.1Å; V826-I870 HydrophobicContact CB-CD1 3.66Å; V826-I870 HydrophobicContact CG1-CD1 4.23Å; V826-I870 HydrophobicContact CG2-CD1 3.41Å; V826-I870 VanDerWaalsContact CG2-CD1 3.41Å |
| 827 | I | 86.2 | Confident | 83.3 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 14% | 0.138 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -52.7 | -48.5 | 170.4 | -72.1 | 166.2 | 0 | 0 | 0 | 110.6 | S823 Q829 L830 D831 L903 R906 I907 | S823-I827 WeakPolarHBondContact O-CB 3.12Å; S823-I827 WeakPolarHBondContact O-CD1 3.45Å; S823-I827 VanDerWaalsContact O-CG1 3.25Å; S823-I827 WeakPolarHBondContact O-CG1 3.43Å; S823-I827 PolarHBondContact O-N 3.18Å; I827-Q829 VanDerWaalsContact C-N 3.27Å; I827-Q829 PolarHBondContact O-N 3.14Å; I827-L830 PolarHBondContact O-N 2.84Å; I827-D831 PolarHBondContact O-N 3.26Å; I827-L903 HydrophobicContact CD1-CD2 4.49Å; I827-R906 HydrophobicContact CD1-CG 3.89Å; I827-I907 HydrophobicContact CD1-CG1 3.94Å; I827-I907 HydrophobicContact CG1-CG1 3.79Å |
| 828 | S | 81.5 | Confident | 82.8 | Confident | 82 Ų | 82 | 53.7 Ų | 53.7 | 57% | 0.573 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.3 | -23.3 | 178.5 | -174.1 | 0 | 0 | 0 | 0 | 114.3 | I824 S825 V826 | I824-S828 PolarHBondContact O-N 2.81Å; I824-S828 VanDerWaalsContact O-N 3.12Å; S825-S828 PolarHBondContact O-N 3.04Å; V826-S828 VanDerWaalsContact C-N 3.29Å; V826-S828 PolarHBondContact O-N 3.22Å |
| 829 | Q | 80.3 | Confident | 82.2 | Confident | 90 Ų | 90 | 55.3 Ų | 55.3 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -81.6 | -39.5 | 174.6 | -74.8 | 170.2 | 79.8 | 0 | 0 | 111.3 | S825 V826 I827 G832 W833 | S825-Q829 WeakPolarHBondContact O-CG 3.2Å; S825-Q829 PolarHBondContact O-N 3.17Å; S825-Q829 VanDerWaalsContact O-N 3.12Å; S825-Q829 PolarHBondContact O-NE2 2.69Å; S825-Q829 PolarHBondContact OG-NE2 2.9Å; V826-Q829 PolarHBondContact O-N 3.1Å; I827-Q829 VanDerWaalsContact C-N 3.27Å; I827-Q829 PolarHBondContact O-N 3.14Å; Q829-G832 PolarHBondContact O-N 2.95Å; Q829-W833 VanDerWaalsContact O-CD1 3.31Å; Q829-W833 PolarHBondContact O-N 3.09Å |
| 830 | L | 84.1 | Confident | 81.3 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -61 | -44.1 | 174.2 | -69.6 | 172.7 | 0 | 0 | 0 | 111.9 | V826 I827 G832 W833 S834 V863 I867 Q910 V914 | V826-L830 HydrophobicContact CG1-CD1 3.88Å; V826-L830 HydrophobicContact CG1-CG 4.11Å; V826-L830 WeakPolarHBondContact O-CB 3.36Å; V826-L830 VanDerWaalsContact O-CG 3.29Å; V826-L830 WeakPolarHBondContact O-CG 3.26Å; V826-L830 PolarHBondContact O-N 3.46Å; I827-L830 PolarHBondContact O-N 2.84Å; L830-G832 VanDerWaalsContact C-N 3.33Å; L830-G832 PolarHBondContact O-N 3.34Å; L830-W833 PolarHBondContact O-N 3.46Å; L830-S834 VanDerWaalsContact O-CB 3.28Å; L830-S834 WeakPolarHBondContact O-CB 3.22Å; L830-S834 PolarHBondContact O-N 3Å; L830-V863 HydrophobicContact CD2-CB 4.4Å; L830-V863 HydrophobicContact CD2-CG1 3.72Å; L830-V863 HydrophobicContact CD2-CG2 3.69Å; L830-I867 HydrophobicContact CD1-CD1 4.04Å; L830-I867 HydrophobicContact CD1-CG1 4.36Å; L830-I867 HydrophobicContact CD2-CD1 4.04Å; L830-Q910 HydrophobicContact CD1-CB 4.11Å; L830-V914 HydrophobicContact CB-CG2 3.99Å; L830-V914 HydrophobicContact CD2-CB 4.02Å; L830-V914 HydrophobicContact CD2-CG1 3.92Å; L830-V914 HydrophobicContact CD2-CG2 3.98Å |
| 831 | D | 81.6 | Confident | 80.4 | Confident | 81 Ų | 81 | 57.3 Ų | 57.3 | 43% | 0.433 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -58.7 | -42.5 | 172.8 | -82.1 | -29.5 | 0 | 0 | 0 | 111.9 | I827 S834 E835 Q910 | I827-D831 PolarHBondContact O-N 3.26Å; D831-S834 WeakPolarHBondContact O-CB 3.42Å; D831-E835 PolarHBondContact O-N 3.29Å; D831-Q910 PolarHBondContact OD1-NE2 3.28Å |
| 832 | G | 79.1 | Confident | 79.5 | Confident | 33 Ų | 33 | 58 Ų | 58 | 34% | 0.34 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -67.1 | -48.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q829 L830 S834 E835 D836 | Q829-G832 PolarHBondContact O-N 2.95Å; L830-G832 VanDerWaalsContact C-N 3.33Å; L830-G832 PolarHBondContact O-N 3.34Å; G832-S834 VanDerWaalsContact C-N 3.33Å; G832-S834 PolarHBondContact O-N 3.35Å; G832-E835 PolarHBondContact O-N 3.48Å; G832-D836 PolarHBondContact O-N 2.96Å |
| 833 | W | 79 | Confident | 78.3 | Confident | 43 Ų | 43 | 60.7 Ų | 60.7 | 16% | 0.163 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.2 | -35.5 | 179.7 | -74.8 | 24.8 | 0 | 0 | 0 | 112.5 | Q829 L830 E835 D836 M837 N859 Q862 V863 | Q829-W833 VanDerWaalsContact O-CD1 3.31Å; Q829-W833 PolarHBondContact O-N 3.09Å; L830-W833 PolarHBondContact O-N 3.46Å; W833-E835 PolarHBondContact O-N 3.16Å; W833-D836 PolarHBondContact O-N 3.33Å; W833-M837 HydrophobicContact CB-SD 4.19Å; W833-M837 WeakPolarHBondContact O-CB 3.43Å; W833-M837 VanDerWaalsContact O-CG 3.28Å; W833-M837 WeakPolarHBondContact O-CG 3.48Å; W833-M837 PolarHBondContact O-N 3.45Å; W833-N859 HydrophobicContact CE3-CB 4.2Å; W833-N859 VanDerWaalsContact CH2-C 3.43Å; W833-N859 VanDerWaalsContact CH2-CA 3.41Å; W833-N859 HydrophobicContact CH2-CB 3.47Å; W833-N859 VanDerWaalsContact CH2-CB 3.47Å; W833-N859 WeakPolarHBondContact CH2-O 3.42Å; W833-N859 HydrophobicContact CZ2-CB 4.07Å; W833-N859 HydrophobicContact CZ3-CB 3.52Å; W833-N859 WeakPolarHBondContact CZ3-O 3.37Å; W833-Q862 HydrophobicContact CH2-CB 4.29Å; W833-V863 HydrophobicContact CD2-CG2 4.14Å; W833-V863 HydrophobicContact CE3-CB 4.1Å; W833-V863 HydrophobicContact CE3-CG2 3.5Å; W833-V863 HydrophobicContact CH2-CB 4.08Å; W833-V863 HydrophobicContact CH2-CG2 3.63Å; W833-V863 HydrophobicContact CZ2-CG2 4.29Å; W833-V863 HydrophobicContact CZ3-CB 3.49Å; W833-V863 VanDerWaalsContact CZ3-CB 3.49Å; W833-V863 HydrophobicContact CZ3-CG2 3.21Å |
| 834 | S | 79.1 | Confident | 77.4 | Confident | 24 Ų | 24 | 62.8 Ų | 62.8 | 17% | 0.168 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -50.9 | -42.5 | 170.1 | -176.1 | 0 | 0 | 0 | 0 | 111 | L830 D831 G832 K838 L917 | L830-S834 VanDerWaalsContact O-CB 3.28Å; L830-S834 WeakPolarHBondContact O-CB 3.22Å; L830-S834 PolarHBondContact O-N 3Å; D831-S834 WeakPolarHBondContact O-CB 3.42Å; G832-S834 VanDerWaalsContact C-N 3.33Å; G832-S834 PolarHBondContact O-N 3.35Å; S834-K838 WeakPolarHBondContact O-CD 3.42Å; S834-K838 WeakPolarHBondContact O-CE 3.39Å; S834-K838 VanDerWaalsContact O-CG 3.23Å; S834-K838 WeakPolarHBondContact O-CG 3.02Å; S834-K838 PolarHBondContact O-N 3.17Å; S834-K838 PolarHBondContact O-NZ 3.48Å; S834-K838 VanDerWaalsContact OG-CE 3.26Å; S834-K838 WeakPolarHBondContact OG-CE 3.14Å; S834-K838 PolarHBondContact OG-NZ 2.99Å; S834-L917 VanDerWaalsContact O-CD2 3.31Å; S834-L917 WeakPolarHBondContact O-CD2 3.48Å |
| 835 | E | 78 | Confident | 76.5 | Confident | 106 Ų | 106 | 60.7 Ų | 60.7 | 50% | 0.495 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -79.5 | -45.6 | -179.8 | -156.9 | 61.3 | -165 | 0 | 0 | 113.1 | D831 G832 W833 M837 K838 V839 | D831-E835 PolarHBondContact O-N 3.29Å; G832-E835 PolarHBondContact O-N 3.48Å; W833-E835 PolarHBondContact O-N 3.16Å; E835-M837 VanDerWaalsContact C-N 3.27Å; E835-M837 PolarHBondContact O-N 3.12Å; E835-K838 WeakPolarHBondContact O-CB 3.34Å; E835-K838 PolarHBondContact O-N 3.11Å; E835-K838 VanDerWaalsContact O-N 3.13Å; E835-K838 WeakPolarHBondContact OE2-CD 3.38Å; E835-K838 IonicContact OE2-NZ 2.7Å; E835-K838 PolarHBondContact OE2-NZ 3.01Å; E835-V839 WeakPolarHBondContact O-CG2 3.41Å; E835-V839 PolarHBondContact O-N 2.96Å |
| 836 | D | 75.1 | Confident | 75.4 | Confident | 110 Ų | 110 | 62.8 Ų | 62.8 | 59% | 0.588 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -58.2 | -39.5 | 176.9 | -79.5 | -27.3 | 0 | 0 | 0 | 111.9 | G832 W833 V839 M840 | G832-D836 PolarHBondContact O-N 2.96Å; W833-D836 PolarHBondContact O-N 3.33Å; D836-V839 PolarHBondContact O-N 3.4Å; D836-M840 VanDerWaalsContact O-CB 3.31Å; D836-M840 WeakPolarHBondContact O-CB 3.43Å; D836-M840 PolarHBondContact O-N 2.94Å |
| 837 | M | 79.1 | Confident | 74.2 | Confident | 9 Ų | 9 | 69.2 Ų | 69.2 | 4% | 0.044 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -70.1 | -35.4 | 177.5 | -74 | 160.7 | 30.3 | 0 | 0 | 112.6 | W833 E835 S841 V914 L917 A918 V921 | W833-M837 HydrophobicContact CB-SD 4.19Å; W833-M837 WeakPolarHBondContact O-CB 3.43Å; W833-M837 VanDerWaalsContact O-CG 3.28Å; W833-M837 WeakPolarHBondContact O-CG 3.48Å; W833-M837 PolarHBondContact O-N 3.45Å; E835-M837 VanDerWaalsContact C-N 3.27Å; E835-M837 PolarHBondContact O-N 3.12Å; M837-S841 VanDerWaalsContact O-CB 3.27Å; M837-S841 WeakPolarHBondContact O-CB 3.41Å; M837-S841 PolarHBondContact O-N 3.23Å; M837-V914 HydrophobicContact CE-CG1 4.23Å; M837-L917 HydrophobicContact CB-CD2 3.91Å; M837-L917 HydrophobicContact CB-CG 4.1Å; M837-L917 HydrophobicContact CE-CB 3.78Å; M837-L917 HydrophobicContact CE-CD2 3.89Å; M837-L917 HydrophobicContact CE-CG 3.62Å; M837-A918 VanDerWaalsContact CE-CA 3.47Å; M837-A918 HydrophobicContact CE-CB 3.75Å; M837-A918 VanDerWaalsContact CE-N 3.27Å; M837-A918 HydrophobicContact SD-CB 4.49Å; M837-V921 HydrophobicContact CB-CG2 4.2Å |
| 838 | K | 77.2 | Confident | 73.3 | Confident | 85 Ų | 85 | 72.4 Ų | 72.4 | 37% | 0.37 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -63 | -42.5 | 170.1 | -72.1 | 165.1 | -141.7 | 143 | 0 | 111.4 | S834 E835 N842 L917 | S834-K838 WeakPolarHBondContact O-CD 3.42Å; S834-K838 WeakPolarHBondContact O-CE 3.39Å; S834-K838 VanDerWaalsContact O-CG 3.23Å; S834-K838 WeakPolarHBondContact O-CG 3.02Å; S834-K838 PolarHBondContact O-N 3.17Å; S834-K838 PolarHBondContact O-NZ 3.48Å; S834-K838 VanDerWaalsContact OG-CE 3.26Å; S834-K838 WeakPolarHBondContact OG-CE 3.14Å; S834-K838 PolarHBondContact OG-NZ 2.99Å; E835-K838 WeakPolarHBondContact O-CB 3.34Å; E835-K838 PolarHBondContact O-N 3.11Å; E835-K838 VanDerWaalsContact O-N 3.13Å; E835-K838 WeakPolarHBondContact OE2-CD 3.38Å; E835-K838 IonicContact OE2-NZ 2.7Å; E835-K838 PolarHBondContact OE2-NZ 3.01Å; K838-N842 PolarHBondContact O-ND2 2.8Å; K838-L917 HydrophobicContact CG-CD2 4.02Å |
| 839 | V | 75.5 | Confident | 72.8 | Confident | 82 Ų | 82 | 68.5 Ų | 68.5 | 50% | 0.497 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 178.1 | 174 | 0 | 0 | 0 | 0 | 110.9 | E835 D836 N842 | E835-V839 WeakPolarHBondContact O-CG2 3.41Å; E835-V839 PolarHBondContact O-N 2.96Å; D836-V839 PolarHBondContact O-N 3.4Å; V839-N842 PolarHBondContact O-N 3.11Å |
| 840 | M | 70 | Confident | 72.1 | Confident | 57 Ų | 57 | 69.4 Ų | 69.4 | 28% | 0.281 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.5 | -43 | 178.7 | -173.9 | 179.3 | -68.4 | 0 | 0 | 112.4 | D836 N842 N843 V844 I852 V921 L925 | D836-M840 VanDerWaalsContact O-CB 3.31Å; D836-M840 WeakPolarHBondContact O-CB 3.43Å; D836-M840 PolarHBondContact O-N 2.94Å; M840-N842 PolarHBondContact O-N 3.16Å; M840-N843 PolarHBondContact O-N 3Å; M840-V844 HydrophobicContact CG-CG2 3.64Å; M840-V844 WeakPolarHBondContact O-CG2 3.33Å; M840-I852 HydrophobicContact CE-CG2 3.69Å; M840-I852 HydrophobicContact CG-CG2 4.38Å; M840-I852 HydrophobicContact SD-CG2 3.39Å; M840-I852 WeakPolarHBondContact SD-CG2 3.31Å; M840-V921 HydrophobicContact SD-CG1 4.14Å; M840-L925 HydrophobicContact SD-CD1 4.28Å |
| 841 | S | 69.2 | Low | 71.6 | Confident | 28 Ų | 28 | 76.8 Ų | 76.8 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -56.1 | -19.1 | -179.5 | -160 | 0 | 0 | 0 | 0 | 114 | M837 K924 | M837-S841 VanDerWaalsContact O-CB 3.27Å; M837-S841 WeakPolarHBondContact O-CB 3.41Å; M837-S841 PolarHBondContact O-N 3.23Å; S841-K924 PolarHBondContact O-NZ 3.12Å; S841-K924 PolarHBondContact OG-NZ 3.16Å |
| 842 | N | 66.8 | Low | 71.4 | Confident | 124 Ų | 124 | 74.5 Ų | 74.5 | 66% | 0.663 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -104.4 | -15.8 | -175.5 | -68.4 | -39.7 | 0 | 0 | 0 | 115.5 | K838 V839 M840 | K838-N842 PolarHBondContact O-ND2 2.8Å; V839-N842 PolarHBondContact O-N 3.11Å; M840-N842 PolarHBondContact O-N 3.16Å |
| 843 | N | 60 | Low | 71.2 | Confident | 125 Ų | 125 | 73.7 Ų | 73.7 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -137.6 | 23.6 | -162.5 | -73.2 | -63.9 | 0 | 0 | 0 | 116.4 | M840 | M840-N843 PolarHBondContact O-N 3Å |
| 844 | V | 68.8 | Low | 70.9 | Confident | 43 Ų | 43 | 74.8 Ų | 74.8 | 26% | 0.261 | 39% | 0.391 | S | S | . | . | trans | -90.4 | 135.1 | -176.6 | 166.5 | 0 | 0 | 0 | 0 | 112.7 | M840 V849 I852 L925 I928 | M840-V844 HydrophobicContact CG-CG2 3.64Å; M840-V844 WeakPolarHBondContact O-CG2 3.33Å; V844-V849 HydrophobicContact CG1-CB 4.34Å; V844-V849 HydrophobicContact CG1-CG1 4.26Å; V844-V849 HydrophobicContact CG1-CG2 3.48Å; V844-V849 VanDerWaalsContact CG1-CG2 3.48Å; V844-I852 HydrophobicContact CG2-CD1 4.16Å; V844-L925 HydrophobicContact CG1-CD2 4.1Å; V844-L925 HydrophobicContact CG2-CD2 4.35Å; V844-I928 HydrophobicContact CG1-CD1 4.37Å | ||
| 845 | S | 65.6 | Low | 70.8 | Confident | 56 Ų | 56 | 78.2 Ų | 78.2 | 39% | 0.392 | 41% | 0.407 | S | S | . | . | trans | -118.4 | 156.9 | 177 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | D847 Q848 V849 | S845-D847 PolarHBondContact O-N 3.4Å; S845-Q848 WeakPolarHBondContact O-CB 3.29Å; S845-Q848 PolarHBondContact O-N 2.88Å; S845-Q848 WeakPolarHBondContact OG-CG 3.43Å; S845-Q848 PolarHBondContact OG-OE1 3.14Å; S845-V849 WeakPolarHBondContact O-CG2 3.47Å; S845-V849 PolarHBondContact O-N 2.94Å | ||
| 846 | M | 62.1 | Low | 71 | Confident | 101 Ų | 101 | 73.4 Ų | 73.4 | 50% | 0.498 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -51.7 | -48.5 | -170.5 | -119.9 | -67.1 | -95.8 | 0 | 0 | 113.7 | Q848 V849 I928 | M846-Q848 PolarHBondContact O-N 3.39Å; M846-V849 PolarHBondContact O-N 2.81Å; M846-I928 HydrophobicContact CG-CG2 3.72Å; M846-I928 HydrophobicContact SD-CG2 3.59Å; M846-I928 VanDerWaalsContact SD-CG2 3.59Å |
| 847 | D | 60.4 | Low | 71.2 | Confident | 148 Ų | 148 | 72.5 Ų | 72.5 | 79% | 0.791 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -66 | -9.8 | -179.5 | -62.5 | -27.2 | 0 | 0 | 0 | 114.4 | S845 | S845-D847 PolarHBondContact O-N 3.4Å |
| 848 | Q | 67.4 | Low | 71.2 | Confident | 93 Ų | 93 | 77 Ų | 77 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -101.7 | -26.9 | 178.9 | -60.4 | 175.9 | -14.8 | 0 | 0 | 112.4 | S845 M846 E850 K851 I852 | S845-Q848 WeakPolarHBondContact O-CB 3.29Å; S845-Q848 PolarHBondContact O-N 2.88Å; S845-Q848 WeakPolarHBondContact OG-CG 3.43Å; S845-Q848 PolarHBondContact OG-OE1 3.14Å; M846-Q848 PolarHBondContact O-N 3.39Å; Q848-E850 PolarHBondContact O-N 3.2Å; Q848-K851 PolarHBondContact O-N 3.12Å; Q848-K851 VanDerWaalsContact O-N 3.08Å; Q848-I852 HydrophobicContact CB-CD1 3.83Å; Q848-I852 WeakPolarHBondContact O-CG1 3.47Å; Q848-I852 PolarHBondContact O-N 3.41Å; Q848-I852 VanDerWaalsContact O-N 3.08Å |
| 849 | V | 69.6 | Low | 71.3 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -67.5 | -37.4 | -167.9 | -153.3 | 0 | 0 | 0 | 0 | 113.3 | V844 S845 M846 K851 I852 M853 L925 I928 V929 | V844-V849 HydrophobicContact CG1-CB 4.34Å; V844-V849 HydrophobicContact CG1-CG1 4.26Å; V844-V849 HydrophobicContact CG1-CG2 3.48Å; V844-V849 VanDerWaalsContact CG1-CG2 3.48Å; S845-V849 WeakPolarHBondContact O-CG2 3.47Å; S845-V849 PolarHBondContact O-N 2.94Å; M846-V849 PolarHBondContact O-N 2.81Å; V849-K851 PolarHBondContact O-N 2.92Å; V849-K851 VanDerWaalsContact O-N 3.1Å; V849-I852 PolarHBondContact O-N 3.32Å; V849-I852 VanDerWaalsContact O-N 3.09Å; V849-M853 PolarHBondContact O-N 2.96Å; V849-L925 HydrophobicContact CG1-CB 4.17Å; V849-L925 HydrophobicContact CG1-CD2 3.62Å; V849-I928 HydrophobicContact CB-CB 4.48Å; V849-I928 HydrophobicContact CB-CG2 4.26Å; V849-I928 HydrophobicContact CG1-CB 4.25Å; V849-I928 HydrophobicContact CG2-CB 4.03Å; V849-I928 HydrophobicContact CG2-CD1 4.15Å; V849-I928 HydrophobicContact CG2-CG2 3.54Å; V849-V929 HydrophobicContact CB-CG2 3.65Å; V849-V929 HydrophobicContact CG1-CG2 3.62Å |
| 850 | E | 66.3 | Low | 71.6 | Confident | 110 Ų | 110 | 72.6 Ų | 72.6 | 51% | 0.514 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.7 | -19.4 | 176.5 | -69 | -156.2 | 126.9 | 0 | 0 | 113.2 | Q848 V929 Q933 | Q848-E850 PolarHBondContact O-N 3.2Å; E850-V929 HydrophobicContact CG-CG1 4.02Å; E850-V929 HydrophobicContact CG-CG2 4Å; E850-Q933 WeakPolarHBondContact OE1-CG 3.25Å; E850-Q933 PolarHBondContact OE1-NE2 2.78Å |
| 851 | K | 74 | Confident | 71.9 | Confident | 155 Ų | 155 | 73 Ų | 73 | 67% | 0.674 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -93.7 | -33.5 | 173.5 | -62.9 | 171.8 | -175.7 | 162.6 | 0 | 112.5 | Q848 V849 L855 | Q848-K851 PolarHBondContact O-N 3.12Å; Q848-K851 VanDerWaalsContact O-N 3.08Å; V849-K851 PolarHBondContact O-N 2.92Å; V849-K851 VanDerWaalsContact O-N 3.1Å; K851-L855 WeakPolarHBondContact O-CD1 3.38Å |
| 852 | I | 76.1 | Confident | 72.5 | Confident | 32 Ų | 32 | 76.2 Ų | 76.2 | 16% | 0.164 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -80 | -37.2 | -175 | -69.9 | 172.6 | 0 | 0 | 0 | 112.2 | M840 V844 Q848 V849 L855 H856 L925 | M840-I852 HydrophobicContact CE-CG2 3.69Å; M840-I852 HydrophobicContact CG-CG2 4.38Å; M840-I852 HydrophobicContact SD-CG2 3.39Å; M840-I852 WeakPolarHBondContact SD-CG2 3.31Å; V844-I852 HydrophobicContact CG2-CD1 4.16Å; Q848-I852 HydrophobicContact CB-CD1 3.83Å; Q848-I852 WeakPolarHBondContact O-CG1 3.47Å; Q848-I852 PolarHBondContact O-N 3.41Å; Q848-I852 VanDerWaalsContact O-N 3.08Å; V849-I852 PolarHBondContact O-N 3.32Å; V849-I852 VanDerWaalsContact O-N 3.09Å; I852-L855 WeakPolarHBondContact O-CB 3.3Å; I852-L855 PolarHBondContact O-N 3.05Å; I852-H856 PolarHBondContact O-N 3.02Å; I852-L925 HydrophobicContact CG2-CD1 4.05Å; I852-L925 HydrophobicContact CG2-CD2 3.84Å |
| 853 | M | 76.5 | Confident | 73.1 | Confident | 17 Ų | 17 | 70.6 Ų | 70.6 | 8% | 0.084 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.5 | -51 | -177.1 | 179.5 | 129.9 | 49.5 | 0 | 0 | 115.4 | V849 L855 H856 Q857 L925 E926 V929 | V849-M853 PolarHBondContact O-N 2.96Å; M853-L855 PolarHBondContact O-N 3.11Å; M853-H856 PolarHBondContact O-N 3.4Å; M853-Q857 HydrophobicContact CG-CG 4.34Å; M853-Q857 PolarHBondContact O-N 2.6Å; M853-L925 HydrophobicContact CB-CB 4.37Å; M853-L925 VanDerWaalsContact CE-C 3.45Å; M853-L925 HydrophobicContact CE-CB 4.37Å; M853-L925 WeakPolarHBondContact CE-O 3.16Å; M853-L925 HydrophobicContact CG-CB 4.49Å; M853-L925 VanDerWaalsContact SD-C 3.57Å; M853-L925 HydrophobicContact SD-CB 3.79Å; M853-E926 VanDerWaalsContact SD-CA 3.58Å; M853-E926 HydrophobicContact SD-CB 4.24Å; M853-E926 HydrophobicContact SD-CG 3.62Å; M853-E926 PolarHBondContact SD-N 2.79Å; M853-E926 VanDerWaalsContact SD-N 3.4Å; M853-V929 HydrophobicContact CE-CB 3.33Å; M853-V929 HydrophobicContact CE-CG1 4.09Å; M853-V929 HydrophobicContact CE-CG2 3.32Å |
| 854 | P | 72.5 | Confident | 74.2 | Confident | 65 Ų | 65 | 68.7 Ų | 68.7 | 42% | 0.422 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.4 | -35.6 | 178.7 | 23 | -33.3 | 0 | 0 | 0 | 111.2 | E858 | P854-E858 WeakPolarHBondContact O-CB 3.37Å; P854-E858 PolarHBondContact O-N 2.67Å |
| 855 | L | 75.8 | Confident | 74.6 | Confident | 97 Ų | 97 | 71.7 Ų | 71.7 | 51% | 0.508 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 174 | -64.1 | 170.2 | 0 | 0 | 0 | 112.1 | K851 I852 M853 N859 | K851-L855 WeakPolarHBondContact O-CD1 3.38Å; I852-L855 WeakPolarHBondContact O-CB 3.3Å; I852-L855 PolarHBondContact O-N 3.05Å; M853-L855 PolarHBondContact O-N 3.11Å; L855-N859 WeakPolarHBondContact O-CB 3.37Å; L855-N859 PolarHBondContact O-N 3.04Å; L855-N859 PolarHBondContact O-ND2 3.29Å; L855-N859 PolarHBondContact O-OD1 3.24Å |
| 856 | H | 82.6 | Confident | 75.3 | Confident | 4 Ų | 4 | 70.6 Ų | 70.6 | 2% | 0.019 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.3 | -35.8 | 178.6 | -171.4 | 68.1 | 0 | 0 | 0 | 113 | I852 M853 T860 A918 Q922 L925 | I852-H856 PolarHBondContact O-N 3.02Å; M853-H856 PolarHBondContact O-N 3.4Å; H856-T860 WeakPolarHBondContact O-CB 3.32Å; H856-T860 PolarHBondContact O-N 3.22Å; H856-T860 PolarHBondContact O-OG1 2.75Å; H856-A918 PolarHBondContact NE2-O 2.71Å; H856-Q922 PolarHBondContact CD2-OE1 2.91Å; H856-L925 HydrophobicContact CB-CD1 3.47Å; H856-L925 VanDerWaalsContact CB-CD1 3.47Å |
| 857 | Q | 79.9 | Confident | 76.4 | Confident | 91 Ų | 91 | 65.8 Ų | 65.8 | 43% | 0.425 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -65.3 | -53.1 | 172.1 | -73.8 | -175 | -39.5 | 0 | 0 | 111.5 | M853 N859 T860 T861 Q922 | M853-Q857 HydrophobicContact CG-CG 4.34Å; M853-Q857 PolarHBondContact O-N 2.6Å; Q857-N859 VanDerWaalsContact C-N 3.31Å; Q857-N859 PolarHBondContact O-N 3.13Å; Q857-T860 PolarHBondContact O-N 3.17Å; Q857-T860 VanDerWaalsContact O-N 3.13Å; Q857-T861 PolarHBondContact O-N 3.43Å; Q857-T861 PolarHBondContact O-OG1 2.97Å; Q857-T861 VanDerWaalsContact O-OG1 3.11Å; Q857-Q922 VanDerWaalsContact CG-NE2 3.3Å |
| 858 | E | 78.3 | Confident | 77.4 | Confident | 103 Ų | 103 | 61.5 Ų | 61.5 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -56.2 | -46.2 | 178.3 | 176.8 | 175.7 | -176.5 | 0 | 0 | 111 | P854 T861 Q862 | P854-E858 WeakPolarHBondContact O-CB 3.37Å; P854-E858 PolarHBondContact O-N 2.67Å; E858-T861 PolarHBondContact O-OG1 3.26Å; E858-Q862 VanDerWaalsContact CG-NE2 3.3Å; E858-Q862 WeakPolarHBondContact O-CB 3.25Å; E858-Q862 VanDerWaalsContact O-CG 3.28Å; E858-Q862 WeakPolarHBondContact O-CG 3.46Å; E858-Q862 PolarHBondContact O-N 3.35Å; E858-Q862 PolarHBondContact OE1-NE2 3.47Å |
| 859 | N | 79.4 | Confident | 78.1 | Confident | 57 Ų | 57 | 61.2 Ų | 61.2 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.7 | -59.2 | 171 | -77.2 | 0.1 | 0 | 0 | 0 | 110.8 | W833 L855 Q857 T861 Q862 V863 | W833-N859 HydrophobicContact CE3-CB 4.2Å; W833-N859 VanDerWaalsContact CH2-C 3.43Å; W833-N859 VanDerWaalsContact CH2-CA 3.41Å; W833-N859 HydrophobicContact CH2-CB 3.47Å; W833-N859 VanDerWaalsContact CH2-CB 3.47Å; W833-N859 WeakPolarHBondContact CH2-O 3.42Å; W833-N859 HydrophobicContact CZ2-CB 4.07Å; W833-N859 HydrophobicContact CZ3-CB 3.52Å; W833-N859 WeakPolarHBondContact CZ3-O 3.37Å; L855-N859 WeakPolarHBondContact O-CB 3.37Å; L855-N859 PolarHBondContact O-N 3.04Å; L855-N859 PolarHBondContact O-ND2 3.29Å; L855-N859 PolarHBondContact O-OD1 3.24Å; Q857-N859 VanDerWaalsContact C-N 3.31Å; Q857-N859 PolarHBondContact O-N 3.13Å; N859-T861 PolarHBondContact O-N 3.09Å; N859-T861 VanDerWaalsContact O-N 3.13Å; N859-Q862 WeakPolarHBondContact O-CA 3.47Å; N859-Q862 WeakPolarHBondContact O-CB 3.44Å; N859-Q862 PolarHBondContact O-N 3.15Å; N859-V863 PolarHBondContact O-N 2.84Å |
| 860 | T | 81.7 | Confident | 78.9 | Confident | 18 Ų | 18 | 61.8 Ų | 61.8 | 11% | 0.11 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -54.1 | -40.7 | -174.9 | -56.9 | 0 | 0 | 0 | 0 | 112 | H856 Q857 Q864 A918 | H856-T860 WeakPolarHBondContact O-CB 3.32Å; H856-T860 PolarHBondContact O-N 3.22Å; H856-T860 PolarHBondContact O-OG1 2.75Å; Q857-T860 PolarHBondContact O-N 3.17Å; Q857-T860 VanDerWaalsContact O-N 3.13Å; T860-Q864 WeakPolarHBondContact O-CG 3.06Å; T860-Q864 PolarHBondContact O-N 3.48Å; T860-Q864 VanDerWaalsContact O-N 3.14Å; T860-A918 HydrophobicContact CG2-CB 3.88Å |
| 861 | T | 77.8 | Confident | 79.8 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 41% | 0.411 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.3 | -46 | 171.8 | 46.9 | 0 | 0 | 0 | 0 | 113 | Q857 E858 N859 V863 Q864 D865 | Q857-T861 PolarHBondContact O-N 3.43Å; Q857-T861 PolarHBondContact O-OG1 2.97Å; Q857-T861 VanDerWaalsContact O-OG1 3.11Å; E858-T861 PolarHBondContact O-OG1 3.26Å; N859-T861 PolarHBondContact O-N 3.09Å; N859-T861 VanDerWaalsContact O-N 3.13Å; T861-V863 VanDerWaalsContact C-N 3.25Å; T861-V863 PolarHBondContact O-N 3.43Å; T861-Q864 PolarHBondContact O-N 2.95Å; T861-Q864 VanDerWaalsContact O-N 3.12Å; T861-D865 WeakPolarHBondContact O-CB 3.38Å; T861-D865 VanDerWaalsContact O-CG 3.29Å; T861-D865 PolarHBondContact O-N 3.04Å |
| 862 | Q | 80.4 | Confident | 80.5 | Confident | 94 Ų | 94 | 55.5 Ų | 55.5 | 44% | 0.439 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -58.6 | -33.1 | 177.5 | -75.9 | 176.3 | 23.1 | 0 | 0 | 113.1 | W833 E858 N859 A866 | W833-Q862 HydrophobicContact CH2-CB 4.29Å; E858-Q862 VanDerWaalsContact CG-NE2 3.3Å; E858-Q862 WeakPolarHBondContact O-CB 3.25Å; E858-Q862 VanDerWaalsContact O-CG 3.28Å; E858-Q862 WeakPolarHBondContact O-CG 3.46Å; E858-Q862 PolarHBondContact O-N 3.35Å; E858-Q862 PolarHBondContact OE1-NE2 3.47Å; N859-Q862 WeakPolarHBondContact O-CA 3.47Å; N859-Q862 WeakPolarHBondContact O-CB 3.44Å; N859-Q862 PolarHBondContact O-N 3.15Å; Q862-A866 WeakPolarHBondContact O-CB 3.43Å; Q862-A866 PolarHBondContact O-N 3.14Å |
| 863 | V | 80.8 | Confident | 81.1 | Confident | 7 Ų | 7 | 55.3 Ų | 55.3 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.5 | -40.5 | 173.9 | 138.5 | 0 | 0 | 0 | 0 | 112.7 | L830 W833 N859 T861 A866 I867 L915 | L830-V863 HydrophobicContact CD2-CB 4.4Å; L830-V863 HydrophobicContact CD2-CG1 3.72Å; L830-V863 HydrophobicContact CD2-CG2 3.69Å; W833-V863 HydrophobicContact CD2-CG2 4.14Å; W833-V863 HydrophobicContact CE3-CB 4.1Å; W833-V863 HydrophobicContact CE3-CG2 3.5Å; W833-V863 HydrophobicContact CH2-CB 4.08Å; W833-V863 HydrophobicContact CH2-CG2 3.63Å; W833-V863 HydrophobicContact CZ2-CG2 4.29Å; W833-V863 HydrophobicContact CZ3-CB 3.49Å; W833-V863 VanDerWaalsContact CZ3-CB 3.49Å; W833-V863 HydrophobicContact CZ3-CG2 3.21Å; N859-V863 PolarHBondContact O-N 2.84Å; T861-V863 VanDerWaalsContact C-N 3.25Å; T861-V863 PolarHBondContact O-N 3.43Å; V863-A866 PolarHBondContact O-N 2.87Å; V863-I867 HydrophobicContact CG1-CD1 3.94Å; V863-I867 WeakPolarHBondContact O-CB 3.47Å; V863-I867 VanDerWaalsContact O-CG1 3.25Å; V863-I867 WeakPolarHBondContact O-CG1 3.45Å; V863-I867 PolarHBondContact O-N 3.38Å; V863-L915 HydrophobicContact CG1-CD2 4.09Å |
| 864 | Q | 81.7 | Confident | 81.6 | Confident | 84 Ų | 84 | 54.6 Ų | 54.6 | 39% | 0.393 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 175.2 | -73.3 | -178.2 | -16.2 | 0 | 0 | 110.9 | T860 T861 I867 A868 L915 | T860-Q864 WeakPolarHBondContact O-CG 3.06Å; T860-Q864 PolarHBondContact O-N 3.48Å; T860-Q864 VanDerWaalsContact O-N 3.14Å; T861-Q864 PolarHBondContact O-N 2.95Å; T861-Q864 VanDerWaalsContact O-N 3.12Å; Q864-I867 PolarHBondContact O-N 3.25Å; Q864-A868 WeakPolarHBondContact O-CB 3.49Å; Q864-A868 PolarHBondContact O-N 3.28Å; Q864-L915 HydrophobicContact CG-CD1 4.13Å; Q864-L915 HydrophobicContact CG-CD2 3.62Å |
| 865 | D | 78 | Confident | 82.1 | Confident | 106 Ų | 106 | 56.9 Ų | 56.9 | 57% | 0.567 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.3 | -48.3 | 176.4 | -68.1 | -24.8 | 0 | 0 | 0 | 111.2 | T861 I867 A868 D869 | T861-D865 WeakPolarHBondContact O-CB 3.38Å; T861-D865 VanDerWaalsContact O-CG 3.29Å; T861-D865 PolarHBondContact O-N 3.04Å; D865-I867 VanDerWaalsContact C-N 3.34Å; D865-I867 PolarHBondContact O-N 2.88Å; D865-A868 PolarHBondContact O-N 3.24Å; D865-D869 WeakPolarHBondContact O-CB 3.46Å; D865-D869 PolarHBondContact O-N 3.14Å |
| 866 | A | 80.3 | Confident | 82.5 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 27% | 0.273 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.2 | -35.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | V826 Q862 V863 I870 | V826-A866 HydrophobicContact CG2-CB 4.11Å; Q862-A866 WeakPolarHBondContact O-CB 3.43Å; Q862-A866 PolarHBondContact O-N 3.14Å; V863-A866 PolarHBondContact O-N 2.87Å; A866-I870 WeakPolarHBondContact O-CD1 3.5Å; A866-I870 VanDerWaalsContact O-CG1 3.28Å; A866-I870 WeakPolarHBondContact O-CG1 3Å; A866-I870 PolarHBondContact O-N 3.28Å |
| 867 | I | 84.6 | Confident | 82.7 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -70.2 | -45.1 | 173.2 | -66.8 | 166.9 | 0 | 0 | 0 | 110.2 | V826 L830 V863 Q864 D865 D869 I870 M871 I907 Q911 | V826-I867 HydrophobicContact CG1-CG1 4.1Å; L830-I867 HydrophobicContact CD1-CD1 4.04Å; L830-I867 HydrophobicContact CD1-CG1 4.36Å; L830-I867 HydrophobicContact CD2-CD1 4.04Å; V863-I867 HydrophobicContact CG1-CD1 3.94Å; V863-I867 WeakPolarHBondContact O-CB 3.47Å; V863-I867 VanDerWaalsContact O-CG1 3.25Å; V863-I867 WeakPolarHBondContact O-CG1 3.45Å; V863-I867 PolarHBondContact O-N 3.38Å; Q864-I867 PolarHBondContact O-N 3.25Å; D865-I867 VanDerWaalsContact C-N 3.34Å; D865-I867 PolarHBondContact O-N 2.88Å; I867-D869 PolarHBondContact O-N 2.94Å; I867-I870 PolarHBondContact O-N 3.08Å; I867-I870 VanDerWaalsContact O-N 3.15Å; I867-M871 HydrophobicContact CG2-CG 4.1Å; I867-M871 WeakPolarHBondContact O-CG 3.4Å; I867-M871 PolarHBondContact O-N 3.11Å; I867-I907 HydrophobicContact CG1-CG2 4.27Å; I867-I907 HydrophobicContact CG2-CG2 3.84Å; I867-Q911 HydrophobicContact CD1-CB 3.87Å; I867-Q911 HydrophobicContact CD1-CG 3.8Å; I867-Q911 HydrophobicContact CG2-CB 4.48Å; I867-Q911 HydrophobicContact CG2-CG 4.29Å |
| 868 | A | 81.1 | Confident | 82.9 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 48% | 0.479 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q864 D865 I870 M871 Q872 | Q864-A868 WeakPolarHBondContact O-CB 3.49Å; Q864-A868 PolarHBondContact O-N 3.28Å; D865-A868 PolarHBondContact O-N 3.24Å; A868-I870 VanDerWaalsContact C-N 3.28Å; A868-I870 PolarHBondContact O-N 2.93Å; A868-M871 PolarHBondContact O-N 3.03Å; A868-Q872 WeakPolarHBondContact O-CB 3.24Å; A868-Q872 PolarHBondContact O-N 2.94Å |
| 869 | D | 82.7 | Confident | 83 | Confident | 86 Ų | 86 | 53 Ų | 53 | 46% | 0.46 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.5 | -37.5 | 175 | -122.5 | -27.4 | 0 | 0 | 0 | 111.2 | D865 I867 S873 K2400 | D865-D869 WeakPolarHBondContact O-CB 3.46Å; D865-D869 PolarHBondContact O-N 3.14Å; I867-D869 PolarHBondContact O-N 2.94Å; D869-S873 WeakPolarHBondContact O-CB 3.48Å; D869-S873 PolarHBondContact O-N 3.44Å; D869-K2400 IonicContact OD1-NZ 2.68Å; D869-K2400 PolarHBondContact OD1-NZ 2.72Å |
| 870 | I | 86.4 | Confident | 83.1 | Confident | 12 Ų | 12 | 52.2 Ų | 52.2 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.8 | -38.2 | 178 | -67.6 | 170 | 0 | 0 | 0 | 112.1 | F819 D822 S823 V826 A866 I867 A868 S873 A874 I907 | F819-I870 HydrophobicContact CD2-CG2 3.99Å; F819-I870 HydrophobicContact CE2-CG2 3.59Å; F819-I870 WeakPolarHBondContact CE2-O 3.34Å; D822-I870 HydrophobicContact CB-CD1 4.24Å; D822-I870 HydrophobicContact CB-CG1 4.41Å; D822-I870 WeakPolarHBondContact O-CD1 3.43Å; S823-I870 WeakPolarHBondContact OG-CG2 3.39Å; V826-I870 HydrophobicContact CB-CD1 3.66Å; V826-I870 HydrophobicContact CG1-CD1 4.23Å; V826-I870 HydrophobicContact CG2-CD1 3.41Å; V826-I870 VanDerWaalsContact CG2-CD1 3.41Å; A866-I870 WeakPolarHBondContact O-CD1 3.5Å; A866-I870 VanDerWaalsContact O-CG1 3.28Å; A866-I870 WeakPolarHBondContact O-CG1 3Å; A866-I870 PolarHBondContact O-N 3.28Å; I867-I870 PolarHBondContact O-N 3.08Å; I867-I870 VanDerWaalsContact O-N 3.15Å; A868-I870 VanDerWaalsContact C-N 3.28Å; A868-I870 PolarHBondContact O-N 2.93Å; I870-S873 WeakPolarHBondContact O-CB 3.36Å; I870-S873 PolarHBondContact O-N 2.92Å; I870-A874 PolarHBondContact O-N 3.41Å; I870-I907 HydrophobicContact CG2-CD1 3.66Å |
| 871 | M | 86.2 | Confident | 83 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 18% | 0.182 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 174.6 | -65.3 | -58.9 | 90.7 | 0 | 0 | 111.6 | I867 A868 A874 Q875 T904 I907 | I867-M871 HydrophobicContact CG2-CG 4.1Å; I867-M871 WeakPolarHBondContact O-CG 3.4Å; I867-M871 PolarHBondContact O-N 3.11Å; A868-M871 PolarHBondContact O-N 3.03Å; M871-A874 WeakPolarHBondContact O-CB 3.33Å; M871-A874 PolarHBondContact O-N 2.96Å; M871-Q875 PolarHBondContact O-N 3.47Å; M871-T904 HydrophobicContact CE-CG2 4.08Å; M871-T904 HydrophobicContact SD-CG2 3.68Å; M871-I907 HydrophobicContact CE-CB 3.95Å; M871-I907 HydrophobicContact CE-CD1 4.05Å; M871-I907 HydrophobicContact CE-CG2 3.78Å |
| 872 | Q | 87.5 | Confident | 83 | Confident | 96 Ų | 96 | 56.3 Ų | 56.3 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -64.1 | -45.3 | 172 | -173.5 | 62.6 | 60.8 | 0 | 0 | 110.8 | A868 A874 Q875 D876 | A868-Q872 WeakPolarHBondContact O-CB 3.24Å; A868-Q872 PolarHBondContact O-N 2.94Å; Q872-A874 VanDerWaalsContact C-N 3.29Å; Q872-A874 PolarHBondContact O-N 3.16Å; Q872-Q875 PolarHBondContact O-N 2.88Å; Q872-Q875 VanDerWaalsContact O-N 3.09Å; Q872-D876 PolarHBondContact NE2-OD1 3.02Å; Q872-D876 WeakPolarHBondContact O-CB 3.33Å; Q872-D876 VanDerWaalsContact O-CG 3.25Å; Q872-D876 PolarHBondContact O-N 3.41Å |
| 873 | S | 88.5 | Confident | 82.7 | Confident | 28 Ų | 28 | 58.1 Ų | 58.1 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.5 | -38.6 | 175.6 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | D869 I870 V877 | D869-S873 WeakPolarHBondContact O-CB 3.48Å; D869-S873 PolarHBondContact O-N 3.44Å; I870-S873 WeakPolarHBondContact O-CB 3.36Å; I870-S873 PolarHBondContact O-N 2.92Å; S873-V877 VanDerWaalsContact O-CG2 3.31Å; S873-V877 WeakPolarHBondContact O-CG2 3.23Å; S873-V877 PolarHBondContact O-N 3.43Å |
| 874 | A | 88 | Confident | 82.2 | Confident | 3 Ų | 3 | 59.4 Ų | 59.4 | 3% | 0.025 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -59.7 | -49.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F819 I870 M871 Q872 V877 I878 I900 | F819-A874 HydrophobicContact CD2-CB 4.27Å; F819-A874 HydrophobicContact CE2-CB 3.57Å; F819-A874 HydrophobicContact CZ-CB 3.97Å; I870-A874 PolarHBondContact O-N 3.41Å; M871-A874 WeakPolarHBondContact O-CB 3.33Å; M871-A874 PolarHBondContact O-N 2.96Å; Q872-A874 VanDerWaalsContact C-N 3.29Å; Q872-A874 PolarHBondContact O-N 3.16Å; A874-V877 PolarHBondContact O-N 3.43Å; A874-I878 WeakPolarHBondContact O-CD1 3.23Å; A874-I878 WeakPolarHBondContact O-CG1 3.4Å; A874-I878 PolarHBondContact O-N 3.2Å; A874-I900 HydrophobicContact CB-CG2 3.85Å |
| 875 | Q | 83.4 | Confident | 81.4 | Confident | 113 Ų | 113 | 58.9 Ų | 58.9 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.2 | -37.6 | -178.8 | -72.3 | -178.6 | -29.2 | 0 | 0 | 112.6 | M871 Q872 I878 Q879 | M871-Q875 PolarHBondContact O-N 3.47Å; Q872-Q875 PolarHBondContact O-N 2.88Å; Q872-Q875 VanDerWaalsContact O-N 3.09Å; Q875-I878 PolarHBondContact O-N 3.24Å; Q875-Q879 WeakPolarHBondContact O-CG 3.37Å; Q875-Q879 PolarHBondContact O-N 3.28Å |
| 876 | D | 83.7 | Confident | 81 | Confident | 66 Ų | 66 | 55.1 Ų | 55.1 | 35% | 0.353 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 173.8 | -69.8 | -7.7 | 0 | 0 | 0 | 110.7 | Q872 Q879 L880 | Q872-D876 PolarHBondContact NE2-OD1 3.02Å; Q872-D876 WeakPolarHBondContact O-CB 3.33Å; Q872-D876 VanDerWaalsContact O-CG 3.25Å; Q872-D876 PolarHBondContact O-N 3.41Å; D876-Q879 PolarHBondContact O-N 3.3Å; D876-L880 WeakPolarHBondContact O-CB 3.44Å; D876-L880 VanDerWaalsContact O-CG 3.27Å; D876-L880 WeakPolarHBondContact O-CG 3.48Å; D876-L880 PolarHBondContact O-N 3.19Å |
| 877 | V | 85.5 | Confident | 80.3 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.006 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -67.4 | -38.5 | 178.5 | 176.6 | 0 | 0 | 0 | 0 | 111.7 | Q815 F816 S873 A874 L880 I881 I900 | Q815-V877 HydrophobicContact CB-CG2 3.73Å; F816-V877 HydrophobicContact CB-CG1 4.36Å; S873-V877 VanDerWaalsContact O-CG2 3.31Å; S873-V877 WeakPolarHBondContact O-CG2 3.23Å; S873-V877 PolarHBondContact O-N 3.43Å; A874-V877 PolarHBondContact O-N 3.43Å; V877-L880 PolarHBondContact O-N 3.41Å; V877-I881 HydrophobicContact CG1-CD1 3.96Å; V877-I881 WeakPolarHBondContact O-CD1 3.49Å; V877-I881 VanDerWaalsContact O-CG1 3.28Å; V877-I881 WeakPolarHBondContact O-CG1 3.47Å; V877-I881 PolarHBondContact O-N 3.46Å; V877-I900 HydrophobicContact CB-CD1 4.18Å; V877-I900 HydrophobicContact CG1-CD1 3.55Å |
| 878 | I | 84.1 | Confident | 79.9 | Confident | 39 Ų | 39 | 61.5 Ų | 61.5 | 20% | 0.2 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -60.7 | -50.2 | 174.2 | -70.5 | 165.1 | 0 | 0 | 0 | 110.6 | A874 Q875 L880 I881 E882 L897 I900 | A874-I878 WeakPolarHBondContact O-CD1 3.23Å; A874-I878 WeakPolarHBondContact O-CG1 3.4Å; A874-I878 PolarHBondContact O-N 3.2Å; Q875-I878 PolarHBondContact O-N 3.24Å; I878-L880 VanDerWaalsContact C-N 3.3Å; I878-L880 PolarHBondContact O-N 3.01Å; I878-I881 WeakPolarHBondContact O-CB 3.25Å; I878-I881 PolarHBondContact O-N 2.68Å; I878-I881 VanDerWaalsContact O-N 3.13Å; I878-E882 HydrophobicContact CG2-CG 4.46Å; I878-E882 WeakPolarHBondContact O-CG 3.46Å; I878-E882 PolarHBondContact O-N 3.43Å; I878-L897 HydrophobicContact CD1-CD1 4.34Å; I878-L897 HydrophobicContact CG1-CD1 3.81Å; I878-L897 HydrophobicContact CG2-CD1 4.36Å; I878-I900 HydrophobicContact CD1-CG2 3.89Å; I878-I900 HydrophobicContact CG1-CD1 4.32Å; I878-I900 HydrophobicContact CG1-CG2 4.11Å |
| 879 | Q | 81.4 | Confident | 79.6 | Confident | 108 Ų | 108 | 62 Ų | 62 | 51% | 0.505 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -61.6 | -37.2 | 177.8 | -72.6 | -175.6 | 28.7 | 0 | 0 | 112.1 | Q875 D876 E882 N883 | Q875-Q879 WeakPolarHBondContact O-CG 3.37Å; Q875-Q879 PolarHBondContact O-N 3.28Å; D876-Q879 PolarHBondContact O-N 3.3Å; Q879-E882 PolarHBondContact O-N 3.16Å; Q879-N883 VanDerWaalsContact O-CB 3.29Å; Q879-N883 WeakPolarHBondContact O-CB 3.38Å; Q879-N883 PolarHBondContact O-N 2.86Å; Q879-N883 PolarHBondContact O-ND2 3.21Å |
| 880 | L | 80.7 | Confident | 79.3 | Confident | 39 Ų | 39 | 58.5 Ų | 58.5 | 20% | 0.204 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -66 | -37.2 | 175.4 | -73.1 | 168.8 | 0 | 0 | 0 | 112.3 | F808 I812 D876 V877 I878 S884 | F808-L880 HydrophobicContact CE1-CD2 4.22Å; I812-L880 HydrophobicContact CD1-CB 4.37Å; I812-L880 WeakPolarHBondContact CD1-O 3.43Å; I812-L880 HydrophobicContact CG1-CB 3.96Å; D876-L880 WeakPolarHBondContact O-CB 3.44Å; D876-L880 VanDerWaalsContact O-CG 3.27Å; D876-L880 WeakPolarHBondContact O-CG 3.48Å; D876-L880 PolarHBondContact O-N 3.19Å; V877-L880 PolarHBondContact O-N 3.41Å; I878-L880 VanDerWaalsContact C-N 3.3Å; I878-L880 PolarHBondContact O-N 3.01Å; L880-S884 WeakPolarHBondContact O-CB 3.44Å; L880-S884 PolarHBondContact O-N 2.73Å; L880-S884 VanDerWaalsContact O-N 3.17Å; L880-S884 PolarHBondContact O-OG 3.46Å |
| 881 | I | 80 | Confident | 78.6 | Confident | 30 Ų | 30 | 61.2 Ų | 61.2 | 15% | 0.154 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63.4 | -53.5 | 173.3 | -68.6 | 161.2 | 0 | 0 | 0 | 109.9 | I812 V877 I878 N883 S884 G885 V896 I900 | I812-I881 HydrophobicContact CG2-CD1 4.34Å; I812-I881 HydrophobicContact CG2-CG1 3.66Å; V877-I881 HydrophobicContact CG1-CD1 3.96Å; V877-I881 WeakPolarHBondContact O-CD1 3.49Å; V877-I881 VanDerWaalsContact O-CG1 3.28Å; V877-I881 WeakPolarHBondContact O-CG1 3.47Å; V877-I881 PolarHBondContact O-N 3.46Å; I878-I881 WeakPolarHBondContact O-CB 3.25Å; I878-I881 PolarHBondContact O-N 2.68Å; I878-I881 VanDerWaalsContact O-N 3.13Å; I881-N883 PolarHBondContact O-N 3.2Å; I881-S884 PolarHBondContact O-N 3.42Å; I881-S884 VanDerWaalsContact O-N 3.12Å; I881-S884 PolarHBondContact O-OG 3.19Å; I881-G885 PolarHBondContact O-N 3.02Å; I881-G885 VanDerWaalsContact O-N 3.12Å; I881-V896 HydrophobicContact CD1-CB 4.26Å; I881-V896 HydrophobicContact CD1-CG1 3.6Å; I881-I900 HydrophobicContact CD1-CD1 4.09Å |
| 882 | E | 77.9 | Confident | 77.6 | Confident | 141 Ų | 141 | 63.3 Ų | 63.3 | 66% | 0.659 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -57.6 | -48.7 | -179 | -70.3 | -178.5 | 158 | 0 | 0 | 112.6 | I878 Q879 S884 G885 | I878-E882 HydrophobicContact CG2-CG 4.46Å; I878-E882 WeakPolarHBondContact O-CG 3.46Å; I878-E882 PolarHBondContact O-N 3.43Å; Q879-E882 PolarHBondContact O-N 3.16Å; E882-S884 PolarHBondContact O-N 2.98Å; E882-G885 PolarHBondContact O-N 3.21Å |
| 883 | N | 74.6 | Confident | 76.7 | Confident | 132 Ų | 132 | 61.5 Ų | 61.5 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -66.7 | -23.1 | 178.7 | -76.2 | -64.1 | 0 | 0 | 0 | 113.6 | Q879 I881 | Q879-N883 VanDerWaalsContact O-CB 3.29Å; Q879-N883 WeakPolarHBondContact O-CB 3.38Å; Q879-N883 PolarHBondContact O-N 2.86Å; Q879-N883 PolarHBondContact O-ND2 3.21Å; I881-N883 PolarHBondContact O-N 3.2Å |
| 884 | S | 70.1 | Confident | 76.1 | Confident | 34 Ų | 34 | 61.6 Ų | 61.6 | 24% | 0.238 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -87.7 | -26.7 | -179.5 | 75 | 0 | 0 | 0 | 0 | 113.9 | I812 L880 I881 E882 V886 | I812-S884 WeakPolarHBondContact CD1-OG 3.29Å; L880-S884 WeakPolarHBondContact O-CB 3.44Å; L880-S884 PolarHBondContact O-N 2.73Å; L880-S884 VanDerWaalsContact O-N 3.17Å; L880-S884 PolarHBondContact O-OG 3.46Å; I881-S884 PolarHBondContact O-N 3.42Å; I881-S884 VanDerWaalsContact O-N 3.12Å; I881-S884 PolarHBondContact O-OG 3.19Å; E882-S884 PolarHBondContact O-N 2.98Å; S884-V886 PolarHBondContact O-N 2.93Å; S884-V886 WeakPolarHBondContact OG-CB 3.48Å; S884-V886 PolarHBondContact OG-N 2.93Å; S884-V886 VanDerWaalsContact OG-N 3.11Å |
| 885 | G | 65.7 | Low | 75.7 | Confident | 73 Ų | 73 | 62.1 Ų | 62.1 | 75% | 0.753 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.6 | 12.2 | -169 | 0 | 0 | 0 | 0 | 0 | 114.6 | I881 E882 | I881-G885 PolarHBondContact O-N 3.02Å; I881-G885 VanDerWaalsContact O-N 3.12Å; E882-G885 PolarHBondContact O-N 3.21Å |
| 886 | V | 68.2 | Low | 75.6 | Confident | 27 Ų | 27 | 57 Ų | 57 | 16% | 0.164 | 34% | 0.335 | C | S | . | . | trans | -85.7 | 126 | -175.8 | -179.7 | 0 | 0 | 0 | 0 | 110.9 | Q809 S884 L888 | Q809-V886 HydrophobicContact CG-CG1 3.94Å; Q809-V886 HydrophobicContact CG-CG2 3.98Å; S884-V886 PolarHBondContact O-N 2.93Å; S884-V886 WeakPolarHBondContact OG-CB 3.48Å; S884-V886 PolarHBondContact OG-N 2.93Å; S884-V886 VanDerWaalsContact OG-N 3.11Å; V886-L888 HydrophobicContact CG1-CD2 3.82Å; V886-L888 HydrophobicContact CG1-CG 3.82Å | ||
| 887 | Y | 66.5 | Low | 75.6 | Confident | 159 Ų | 159 | 57.1 Ų | 57.1 | 62% | 0.624 | 34% | 0.335 | S | S | * | . | trans | -88.8 | 104.1 | 169.9 | -164.9 | -91.3 | 0 | 0 | 0 | 110.7 | L889 | Y887-L889 HydrophobicContact CD1-CG 4.32Å; Y887-L889 HydrophobicContact CE1-CD1 4.48Å; Y887-L889 HydrophobicContact CE1-CD2 3.77Å; Y887-L889 HydrophobicContact CE1-CG 3.91Å | ||
| 888 | L | 75.2 | Confident | 75.4 | Confident | 9 Ų | 9 | 61 Ų | 61 | 5% | 0.047 | 36% | 0.356 | C | S | . | . | trans | -100.7 | 143.1 | 174.6 | -67.1 | 177.9 | 0 | 0 | 0 | 111.6 | I728 I812 A813 V886 V896 | I728-L888 HydrophobicContact CD1-CB 3.94Å; I728-L888 HydrophobicContact CD1-CD1 4.13Å; I728-L888 HydrophobicContact CG1-CB 4.39Å; I728-L888 HydrophobicContact CG1-CD1 4.4Å; I812-L888 HydrophobicContact CB-CD1 3.99Å; I812-L888 HydrophobicContact CG2-CD1 3.65Å; A813-L888 HydrophobicContact CB-CD1 4.42Å; V886-L888 HydrophobicContact CG1-CD2 3.82Å; V886-L888 HydrophobicContact CG1-CG 3.82Å; L888-V896 HydrophobicContact CB-CG2 3.75Å; L888-V896 PolarHBondContact O-N 3.3Å | ||
| 889 | L | 75.2 | Confident | 75.5 | Confident | 70 Ų | 70 | 59.9 Ų | 59.9 | 37% | 0.366 | 35% | 0.351 | S | S | . | . | B | Isolated β-bridge | trans | -111.3 | 135.7 | 178.7 | -77.4 | 166.9 | 0 | 0 | 0 | 111.4 | Y887 | Y887-L889 HydrophobicContact CD1-CG 4.32Å; Y887-L889 HydrophobicContact CE1-CD1 4.48Å; Y887-L889 HydrophobicContact CE1-CD2 3.77Å; Y887-L889 HydrophobicContact CE1-CG 3.91Å |
| 890 | V | 76.5 | Confident | 75.7 | Confident | 11 Ų | 11 | 54.7 Ų | 54.7 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | trans | -82.3 | 153.9 | 167.6 | -170.7 | 0 | 0 | 0 | 0 | 108.8 | F816 S892 G893 S894 V896 | F816-V890 HydrophobicContact CE1-CG1 4.37Å; F816-V890 HydrophobicContact CE1-CG2 3.69Å; F816-V890 HydrophobicContact CZ-CG2 3.81Å; V890-S892 PolarHBondContact O-N 3.24Å; V890-G893 PolarHBondContact O-N 2.94Å; V890-S894 PolarHBondContact N-O 3.41Å; V890-V896 HydrophobicContact CG2-CG2 3.97Å | ||
| 891 | S | 70.5 | Confident | 75.8 | Confident | 69 Ų | 69 | 57.4 Ų | 57.4 | 48% | 0.483 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | -19.1 | -179.2 | -27.6 | 0 | 0 | 0 | 0 | 115 | N730 R817 G893 | N730-S891 WeakPolarHBondContact OD1-CB 3.5Å; N730-S891 PolarHBondContact OD1-OG 3.1Å; R817-S891 PolarHBondContact NH2-OG 3.11Å; R817-S891 VanDerWaalsContact NH2-OG 3.14Å; S891-G893 VanDerWaalsContact C-N 3.3Å |
| 892 | S | 67.1 | Low | 76.1 | Confident | 82 Ų | 82 | 62.7 Ų | 62.7 | 57% | 0.573 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.5 | -7.4 | 173.7 | 58.1 | 0 | 0 | 0 | 0 | 114.7 | V890 S894 | V890-S892 PolarHBondContact O-N 3.24Å; S892-S894 PolarHBondContact O-N 3.09Å; S892-S894 WeakPolarHBondContact OG-CB 3.36Å; S892-S894 PolarHBondContact OG-N 3.24Å; S892-S894 PolarHBondContact OG-OG 3.31Å |
| 893 | G | 68.6 | Low | 76.5 | Confident | 57 Ų | 57 | 57.3 Ų | 57.3 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | S | Bend | trans | 78.9 | -0.2 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | V890 S891 | V890-G893 PolarHBondContact O-N 2.94Å; S891-G893 VanDerWaalsContact C-N 3.3Å |
| 894 | S | 74.3 | Confident | 77.1 | Confident | 30 Ų | 30 | 52.7 Ų | 52.7 | 21% | 0.21 | 31% | 0.311 | C | S | . | . | trans | -72.3 | 152.3 | 171.8 | -50.8 | 0 | 0 | 0 | 0 | 111.2 | V890 S892 | V890-S894 PolarHBondContact N-O 3.41Å; S892-S894 PolarHBondContact O-N 3.09Å; S892-S894 WeakPolarHBondContact OG-CB 3.36Å; S892-S894 PolarHBondContact OG-N 3.24Å; S892-S894 PolarHBondContact OG-OG 3.31Å | ||
| 895 | S | 80 | Confident | 77.7 | Confident | 15 Ų | 15 | 56.9 Ų | 56.9 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | B | Isolated β-bridge | trans | -68.9 | 154.9 | 163.7 | 82.8 | 0 | 0 | 0 | 0 | 110 | L897 D898 C899 | S895-L897 VanDerWaalsContact C-N 3.26Å; S895-L897 PolarHBondContact O-N 2.94Å; S895-L897 PolarHBondContact OG-N 3.44Å; S895-D898 VanDerWaalsContact CB-OD2 3.31Å; S895-D898 WeakPolarHBondContact CB-OD2 3.43Å; S895-D898 PolarHBondContact N-OD2 3.38Å; S895-D898 PolarHBondContact O-N 3.16Å; S895-D898 PolarHBondContact OG-N 2.83Å; S895-D898 VanDerWaalsContact OG-N 3.12Å; S895-D898 PolarHBondContact OG-OD2 2.96Å; S895-C899 PolarHBondContact O-N 3.37Å |
| 896 | V | 81 | Confident | 78.7 | Confident | 5 Ų | 5 | 58.4 Ų | 58.4 | 3% | 0.03 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 172.9 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | I728 F816 I881 L888 V890 D898 C899 I900 | I728-V896 HydrophobicContact CD1-CG2 3.32Å; F816-V896 HydrophobicContact CB-CG1 4.07Å; F816-V896 HydrophobicContact CD1-CG1 4.33Å; F816-V896 HydrophobicContact CD1-CG2 4.29Å; F816-V896 HydrophobicContact CD2-CG1 3.54Å; F816-V896 HydrophobicContact CE2-CG1 4.08Å; F816-V896 HydrophobicContact CG-CG1 3.68Å; F816-V896 HydrophobicContact CG-CG2 4.42Å; I881-V896 HydrophobicContact CD1-CB 4.26Å; I881-V896 HydrophobicContact CD1-CG1 3.6Å; L888-V896 HydrophobicContact CB-CG2 3.75Å; L888-V896 PolarHBondContact O-N 3.3Å; V890-V896 HydrophobicContact CG2-CG2 3.97Å; V896-D898 PolarHBondContact O-N 3.34Å; V896-C899 WeakPolarHBondContact O-CB 3.14Å; V896-C899 PolarHBondContact O-N 3.29Å; V896-C899 VanDerWaalsContact O-N 3.08Å; V896-I900 HydrophobicContact CG1-CD1 3.75Å; V896-I900 HydrophobicContact CG1-CG1 4.33Å; V896-I900 WeakPolarHBondContact O-CG1 3.21Å; V896-I900 PolarHBondContact O-N 3.46Å |
| 897 | L | 83.6 | Confident | 79.6 | Confident | 69 Ų | 69 | 57.1 Ų | 57.1 | 36% | 0.361 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | -178.1 | -171.9 | 62.2 | 0 | 0 | 0 | 111.8 | I878 S895 C899 I900 I901 | I878-L897 HydrophobicContact CD1-CD1 4.34Å; I878-L897 HydrophobicContact CG1-CD1 3.81Å; I878-L897 HydrophobicContact CG2-CD1 4.36Å; S895-L897 VanDerWaalsContact C-N 3.26Å; S895-L897 PolarHBondContact O-N 2.94Å; S895-L897 PolarHBondContact OG-N 3.44Å; L897-C899 PolarHBondContact O-N 3.27Å; L897-I900 PolarHBondContact O-N 2.84Å; L897-I901 HydrophobicContact CD1-CD1 4.38Å; L897-I901 HydrophobicContact CG-CD1 4.04Å; L897-I901 WeakPolarHBondContact O-CG1 3.47Å; L897-I901 PolarHBondContact O-N 3.07Å |
| 898 | D | 81.7 | Confident | 80.3 | Confident | 83 Ų | 83 | 52 Ų | 52 | 44% | 0.444 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.2 | -29 | 175.3 | -62 | -55.1 | 0 | 0 | 0 | 112.6 | S895 V896 R902 | S895-D898 VanDerWaalsContact CB-OD2 3.31Å; S895-D898 WeakPolarHBondContact CB-OD2 3.43Å; S895-D898 PolarHBondContact N-OD2 3.38Å; S895-D898 PolarHBondContact O-N 3.16Å; S895-D898 PolarHBondContact OG-N 2.83Å; S895-D898 VanDerWaalsContact OG-N 3.12Å; S895-D898 PolarHBondContact OG-OD2 2.96Å; V896-D898 PolarHBondContact O-N 3.34Å; D898-R902 PolarHBondContact O-NE 2.98Å; D898-R902 PolarHBondContact O-NH2 3.03Å |
| 899 | C | 86 | Confident | 80.7 | Confident | 14 Ų | 14 | 57.1 Ų | 57.1 | 10% | 0.095 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -77.2 | -42.7 | 175.4 | -71.3 | 0 | 0 | 0 | 0 | 111.7 | F816 S895 V896 L897 R902 L903 | F816-C899 HydrophobicContact CE2-CB 3.8Å; F816-C899 HydrophobicContact CZ-CB 3.79Å; S895-C899 PolarHBondContact O-N 3.37Å; V896-C899 WeakPolarHBondContact O-CB 3.14Å; V896-C899 PolarHBondContact O-N 3.29Å; V896-C899 VanDerWaalsContact O-N 3.08Å; L897-C899 PolarHBondContact O-N 3.27Å; C899-R902 PolarHBondContact O-N 2.98Å; C899-R902 PolarHBondContact SG-NH2 3.4Å; C899-L903 PolarHBondContact O-N 3Å; C899-L903 VanDerWaalsContact O-N 3.13Å |
| 900 | I | 86 | Confident | 81.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -60.9 | -47.3 | 178.3 | -63.2 | 166.9 | 0 | 0 | 0 | 110.8 | F816 F819 A874 V877 I878 I881 V896 L897 R902 L903 T904 | F816-I900 HydrophobicContact CD2-CD1 4.24Å; F816-I900 HydrophobicContact CD2-CG1 3.9Å; F816-I900 HydrophobicContact CE2-CG1 4.09Å; F819-I900 HydrophobicContact CD1-CG1 4.15Å; F819-I900 HydrophobicContact CE1-CB 4.16Å; F819-I900 HydrophobicContact CE1-CG1 3.93Å; F819-I900 HydrophobicContact CE1-CG2 4.02Å; F819-I900 HydrophobicContact CZ-CG2 4.02Å; A874-I900 HydrophobicContact CB-CG2 3.85Å; V877-I900 HydrophobicContact CB-CD1 4.18Å; V877-I900 HydrophobicContact CG1-CD1 3.55Å; I878-I900 HydrophobicContact CD1-CG2 3.89Å; I878-I900 HydrophobicContact CG1-CD1 4.32Å; I878-I900 HydrophobicContact CG1-CG2 4.11Å; I881-I900 HydrophobicContact CD1-CD1 4.09Å; V896-I900 HydrophobicContact CG1-CD1 3.75Å; V896-I900 HydrophobicContact CG1-CG1 4.33Å; V896-I900 WeakPolarHBondContact O-CG1 3.21Å; V896-I900 PolarHBondContact O-N 3.46Å; L897-I900 PolarHBondContact O-N 2.84Å; I900-R902 PolarHBondContact O-N 2.93Å; I900-L903 PolarHBondContact O-N 3.4Å; I900-T904 WeakPolarHBondContact O-CB 3.39Å; I900-T904 PolarHBondContact O-N 2.86Å; I900-T904 PolarHBondContact O-OG1 2.89Å |
| 901 | I | 83.4 | Confident | 81.4 | Confident | 96 Ų | 96 | 57 Ų | 57 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 179.8 | -67.4 | 166.6 | 0 | 0 | 0 | 111.1 | L897 L903 T904 D905 | L897-I901 HydrophobicContact CD1-CD1 4.38Å; L897-I901 HydrophobicContact CG-CD1 4.04Å; L897-I901 WeakPolarHBondContact O-CG1 3.47Å; L897-I901 PolarHBondContact O-N 3.07Å; I901-L903 PolarHBondContact O-N 2.85Å; I901-T904 PolarHBondContact O-N 3.16Å; I901-D905 WeakPolarHBondContact O-CB 3.28Å; I901-D905 PolarHBondContact O-N 2.81Å |
| 902 | R | 85.6 | Confident | 81.8 | Confident | 141 Ų | 141 | 60.5 Ų | 60.5 | 53% | 0.532 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -65.2 | -34.5 | -179.7 | -79.4 | 179 | -72.3 | 159.4 | -1.5 | 113.9 | D898 C899 I900 R906 | D898-R902 PolarHBondContact O-NE 2.98Å; D898-R902 PolarHBondContact O-NH2 3.03Å; C899-R902 PolarHBondContact O-N 2.98Å; C899-R902 PolarHBondContact SG-NH2 3.4Å; I900-R902 PolarHBondContact O-N 2.93Å; R902-R906 WeakPolarHBondContact O-CB 3.48Å; R902-R906 PolarHBondContact O-N 3.44Å |
| 903 | L | 86.5 | Confident | 82.4 | Confident | 27 Ų | 27 | 61.6 Ų | 61.6 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -73.8 | -41.4 | 175.5 | -72.3 | 169.1 | 0 | 0 | 0 | 111.5 | F819 E820 I827 C899 I900 I901 R906 I907 | F819-L903 HydrophobicContact CD1-CD1 4.42Å; F819-L903 HydrophobicContact CE1-CB 4.09Å; F819-L903 HydrophobicContact CE1-CD1 3.76Å; F819-L903 HydrophobicContact CZ-CB 4.06Å; F819-L903 HydrophobicContact CZ-CD1 4.48Å; E820-L903 HydrophobicContact CB-CD1 4.31Å; E820-L903 HydrophobicContact CG-CD1 4.15Å; I827-L903 HydrophobicContact CD1-CD2 4.49Å; C899-L903 PolarHBondContact O-N 3Å; C899-L903 VanDerWaalsContact O-N 3.13Å; I900-L903 PolarHBondContact O-N 3.4Å; I901-L903 PolarHBondContact O-N 2.85Å; L903-R906 PolarHBondContact O-N 3.38Å; L903-I907 WeakPolarHBondContact O-CG1 3.37Å; L903-I907 PolarHBondContact O-N 2.92Å |
| 904 | T | 87.1 | Confident | 83.1 | Confident | 36 Ų | 36 | 59 Ų | 59 | 22% | 0.221 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 179.5 | -52.4 | 0 | 0 | 0 | 0 | 111.6 | M871 I900 I901 R906 I907 S908 | M871-T904 HydrophobicContact CE-CG2 4.08Å; M871-T904 HydrophobicContact SD-CG2 3.68Å; I900-T904 WeakPolarHBondContact O-CB 3.39Å; I900-T904 PolarHBondContact O-N 2.86Å; I900-T904 PolarHBondContact O-OG1 2.89Å; I901-T904 PolarHBondContact O-N 3.16Å; T904-R906 PolarHBondContact O-N 2.67Å; T904-I907 PolarHBondContact O-N 3.4Å; T904-S908 WeakPolarHBondContact O-CB 3.49Å; T904-S908 PolarHBondContact O-N 2.99Å; T904-S908 PolarHBondContact O-OG 3.23Å |
| 905 | D | 82.6 | Confident | 83.5 | Confident | 122 Ų | 122 | 58.9 Ų | 58.9 | 65% | 0.652 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.9 | -42.6 | 177.2 | -167.3 | 49 | 0 | 0 | 0 | 111.8 | I901 S908 Q909 | I901-D905 WeakPolarHBondContact O-CB 3.28Å; I901-D905 PolarHBondContact O-N 2.81Å; D905-S908 PolarHBondContact O-N 3.23Å; D905-Q909 PolarHBondContact O-N 3.19Å; D905-Q909 VanDerWaalsContact O-N 3.09Å |
| 906 | R | 86.2 | Confident | 83.5 | Confident | 105 Ų | 105 | 61 Ų | 61 | 40% | 0.396 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -66.3 | -39.9 | 177.2 | 179.5 | 57.3 | -175.8 | 178.1 | 2.5 | 113.3 | I827 R902 L903 T904 Q910 | I827-R906 HydrophobicContact CD1-CG 3.89Å; R902-R906 WeakPolarHBondContact O-CB 3.48Å; R902-R906 PolarHBondContact O-N 3.44Å; L903-R906 PolarHBondContact O-N 3.38Å; T904-R906 PolarHBondContact O-N 2.67Å; R906-Q910 PolarHBondContact O-N 2.91Å |
| 907 | I | 87.3 | Confident | 83.5 | Confident | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -68.2 | -44.8 | 176.7 | -69.2 | 170.8 | 0 | 0 | 0 | 110.3 | I827 I867 I870 M871 L903 T904 Q909 Q910 Q911 | I827-I907 HydrophobicContact CD1-CG1 3.94Å; I827-I907 HydrophobicContact CG1-CG1 3.79Å; I867-I907 HydrophobicContact CG1-CG2 4.27Å; I867-I907 HydrophobicContact CG2-CG2 3.84Å; I870-I907 HydrophobicContact CG2-CD1 3.66Å; M871-I907 HydrophobicContact CE-CB 3.95Å; M871-I907 HydrophobicContact CE-CD1 4.05Å; M871-I907 HydrophobicContact CE-CG2 3.78Å; L903-I907 WeakPolarHBondContact O-CG1 3.37Å; L903-I907 PolarHBondContact O-N 2.92Å; T904-I907 PolarHBondContact O-N 3.4Å; I907-Q909 PolarHBondContact O-N 3.43Å; I907-Q910 PolarHBondContact O-N 2.94Å; I907-Q910 VanDerWaalsContact O-N 3.09Å; I907-Q911 WeakPolarHBondContact O-CB 3.32Å; I907-Q911 PolarHBondContact O-N 2.79Å |
| 908 | S | 82 | Confident | 83.3 | Confident | 52 Ų | 52 | 59.3 Ų | 59.3 | 36% | 0.364 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -56.6 | -40 | 178 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | T904 D905 | T904-S908 WeakPolarHBondContact O-CB 3.49Å; T904-S908 PolarHBondContact O-N 2.99Å; T904-S908 PolarHBondContact O-OG 3.23Å; D905-S908 PolarHBondContact O-N 3.23Å |
| 909 | Q | 83.1 | Confident | 83.1 | Confident | 116 Ų | 116 | 60 Ų | 60 | 54% | 0.542 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.8 | -173 | 173 | 58.7 | 0 | 0 | 112.6 | D905 I907 | D905-Q909 PolarHBondContact O-N 3.19Å; D905-Q909 VanDerWaalsContact O-N 3.09Å; I907-Q909 PolarHBondContact O-N 3.43Å |
| 910 | Q | 83.3 | Confident | 82.6 | Confident | 15 Ų | 15 | 62.3 Ų | 62.3 | 7% | 0.07 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -76.3 | -26.1 | -179.5 | -69.6 | -154.4 | -57.1 | 0 | 0 | 114.4 | L830 D831 R906 I907 H912 D913 V914 | L830-Q910 HydrophobicContact CD1-CB 4.11Å; D831-Q910 PolarHBondContact OD1-NE2 3.28Å; R906-Q910 PolarHBondContact O-N 2.91Å; I907-Q910 PolarHBondContact O-N 2.94Å; I907-Q910 VanDerWaalsContact O-N 3.09Å; Q910-H912 VanDerWaalsContact C-N 3.28Å; Q910-H912 PolarHBondContact O-N 2.88Å; Q910-D913 PolarHBondContact O-N 3.31Å; Q910-V914 WeakPolarHBondContact O-CG2 3.35Å; Q910-V914 PolarHBondContact O-N 3.19Å |
| 911 | Q | 84.5 | Confident | 82.3 | Confident | 64 Ų | 64 | 62.4 Ų | 62.4 | 30% | 0.299 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -55 | -47.8 | 171.4 | -179.3 | 177 | 6.1 | 0 | 0 | 110.5 | I867 I907 D913 L915 | I867-Q911 HydrophobicContact CD1-CB 3.87Å; I867-Q911 HydrophobicContact CD1-CG 3.8Å; I867-Q911 HydrophobicContact CG2-CB 4.48Å; I867-Q911 HydrophobicContact CG2-CG 4.29Å; I907-Q911 WeakPolarHBondContact O-CB 3.32Å; I907-Q911 PolarHBondContact O-N 2.79Å; Q911-D913 PolarHBondContact O-N 2.83Å; Q911-L915 HydrophobicContact CG-CD1 3.68Å; Q911-L915 HydrophobicContact CG-CG 4.28Å; Q911-L915 WeakPolarHBondContact O-CB 3.28Å; Q911-L915 VanDerWaalsContact O-CG 3.28Å; Q911-L915 WeakPolarHBondContact O-CG 3.5Å; Q911-L915 PolarHBondContact O-N 3.24Å |
| 912 | H | 78.8 | Confident | 82.1 | Confident | 142 Ų | 142 | 59 Ų | 59 | 66% | 0.657 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | -179.6 | -167.8 | -49.3 | 0 | 0 | 0 | 112 | Q910 A916 | Q910-H912 VanDerWaalsContact C-N 3.28Å; Q910-H912 PolarHBondContact O-N 2.88Å; H912-A916 WeakPolarHBondContact O-CB 3.39Å; H912-A916 PolarHBondContact O-N 3.37Å |
| 913 | D | 78.9 | Confident | 81.3 | Confident | 104 Ų | 104 | 53.6 Ų | 53.6 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -68.3 | -43.3 | 179.9 | -72.6 | -22.6 | 0 | 0 | 0 | 112.5 | Q910 Q911 L917 | Q910-D913 PolarHBondContact O-N 3.31Å; Q911-D913 PolarHBondContact O-N 2.83Å; D913-L917 PolarHBondContact O-N 3.46Å |
| 914 | V | 83.4 | Confident | 80.6 | Confident | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.024 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -76.4 | -40.7 | -176.6 | 175.4 | 0 | 0 | 0 | 0 | 112.1 | L830 M837 Q910 L917 A918 | L830-V914 HydrophobicContact CB-CG2 3.99Å; L830-V914 HydrophobicContact CD2-CB 4.02Å; L830-V914 HydrophobicContact CD2-CG1 3.92Å; L830-V914 HydrophobicContact CD2-CG2 3.98Å; M837-V914 HydrophobicContact CE-CG1 4.23Å; Q910-V914 WeakPolarHBondContact O-CG2 3.35Å; Q910-V914 PolarHBondContact O-N 3.19Å; V914-L917 PolarHBondContact O-N 3.41Å; V914-A918 WeakPolarHBondContact O-CB 3.31Å; V914-A918 PolarHBondContact O-N 2.9Å |
| 915 | L | 83.4 | Confident | 80 | Confident | 26 Ų | 26 | 55 Ų | 55 | 14% | 0.136 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -67.2 | -41.4 | -179.7 | -66.1 | -177.3 | 0 | 0 | 0 | 112 | V863 Q864 Q911 L917 A918 D919 | V863-L915 HydrophobicContact CG1-CD2 4.09Å; Q864-L915 HydrophobicContact CG-CD1 4.13Å; Q864-L915 HydrophobicContact CG-CD2 3.62Å; Q911-L915 HydrophobicContact CG-CD1 3.68Å; Q911-L915 HydrophobicContact CG-CG 4.28Å; Q911-L915 WeakPolarHBondContact O-CB 3.28Å; Q911-L915 VanDerWaalsContact O-CG 3.28Å; Q911-L915 WeakPolarHBondContact O-CG 3.5Å; Q911-L915 PolarHBondContact O-N 3.24Å; L915-L917 PolarHBondContact O-N 3.24Å; L915-A918 PolarHBondContact O-N 3.28Å; L915-D919 PolarHBondContact O-N 2.88Å |
| 916 | A | 79.1 | Confident | 79.5 | Confident | 60 Ų | 60 | 51.3 Ų | 51.3 | 50% | 0.496 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -59.5 | -30.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113 | H912 | H912-A916 WeakPolarHBondContact O-CB 3.39Å; H912-A916 PolarHBondContact O-N 3.37Å |
| 917 | L | 80.6 | Confident | 78.7 | Confident | 36 Ų | 36 | 50 Ų | 50 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -79.3 | -35.6 | 172.8 | -175.7 | 62.8 | 0 | 0 | 0 | 112.4 | S834 M837 K838 D913 V914 L915 S920 V921 | S834-L917 VanDerWaalsContact O-CD2 3.31Å; S834-L917 WeakPolarHBondContact O-CD2 3.48Å; M837-L917 HydrophobicContact CB-CD2 3.91Å; M837-L917 HydrophobicContact CB-CG 4.1Å; M837-L917 HydrophobicContact CE-CB 3.78Å; M837-L917 HydrophobicContact CE-CD2 3.89Å; M837-L917 HydrophobicContact CE-CG 3.62Å; K838-L917 HydrophobicContact CG-CD2 4.02Å; D913-L917 PolarHBondContact O-N 3.46Å; V914-L917 PolarHBondContact O-N 3.41Å; L915-L917 PolarHBondContact O-N 3.24Å; L917-S920 WeakPolarHBondContact O-CB 3.31Å; L917-S920 PolarHBondContact O-N 2.66Å; L917-V921 WeakPolarHBondContact O-CG2 3.44Å; L917-V921 PolarHBondContact O-N 3.3Å |
| 918 | A | 80.9 | Confident | 78 | Confident | 2 Ų | 2 | 52.3 Ų | 52.3 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -65.8 | -44.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | M837 H856 T860 V914 L915 S920 V921 Q922 | M837-A918 VanDerWaalsContact CE-CA 3.47Å; M837-A918 HydrophobicContact CE-CB 3.75Å; M837-A918 VanDerWaalsContact CE-N 3.27Å; M837-A918 HydrophobicContact SD-CB 4.49Å; H856-A918 PolarHBondContact NE2-O 2.71Å; T860-A918 HydrophobicContact CG2-CB 3.88Å; V914-A918 WeakPolarHBondContact O-CB 3.31Å; V914-A918 PolarHBondContact O-N 2.9Å; L915-A918 PolarHBondContact O-N 3.28Å; A918-S920 VanDerWaalsContact C-N 3.32Å; A918-S920 PolarHBondContact O-N 3.25Å; A918-V921 PolarHBondContact O-N 2.78Å; A918-Q922 VanDerWaalsContact O-CB 3.24Å; A918-Q922 WeakPolarHBondContact O-CB 3.4Å; A918-Q922 PolarHBondContact O-N 3.46Å |
| 919 | D | 75.6 | Confident | 77.6 | Confident | 98 Ų | 98 | 50.4 Ų | 50.4 | 52% | 0.524 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.3 | -41.6 | 175.4 | -68.5 | -32.7 | 0 | 0 | 0 | 111.3 | L915 V921 Q922 A923 | L915-D919 PolarHBondContact O-N 2.88Å; D919-V921 PolarHBondContact O-N 3.5Å; D919-Q922 PolarHBondContact O-N 3.36Å; D919-A923 WeakPolarHBondContact O-CB 3.3Å; D919-A923 PolarHBondContact O-N 3.44Å |
| 920 | S | 76.5 | Confident | 76.8 | Confident | 63 Ų | 63 | 46.4 Ų | 46.4 | 44% | 0.441 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62.7 | -39.8 | 177.2 | -175 | 0 | 0 | 0 | 0 | 113 | L917 A918 | L917-S920 WeakPolarHBondContact O-CB 3.31Å; L917-S920 PolarHBondContact O-N 2.66Å; A918-S920 VanDerWaalsContact C-N 3.32Å; A918-S920 PolarHBondContact O-N 3.25Å |
| 921 | V | 79.8 | Confident | 76.2 | Confident | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.2 | -42.3 | 174.7 | 172.8 | 0 | 0 | 0 | 0 | 111.5 | M837 M840 L917 A918 D919 A923 K924 L925 | M837-V921 HydrophobicContact CB-CG2 4.2Å; M840-V921 HydrophobicContact SD-CG1 4.14Å; L917-V921 WeakPolarHBondContact O-CG2 3.44Å; L917-V921 PolarHBondContact O-N 3.3Å; A918-V921 PolarHBondContact O-N 2.78Å; D919-V921 PolarHBondContact O-N 3.5Å; V921-A923 VanDerWaalsContact C-N 3.33Å; V921-A923 PolarHBondContact O-N 3.3Å; V921-K924 WeakPolarHBondContact O-CB 3.46Å; V921-K924 PolarHBondContact O-N 2.94Å; V921-L925 HydrophobicContact CG1-CD1 3.83Å; V921-L925 HydrophobicContact CG1-CG 4.21Å; V921-L925 WeakPolarHBondContact O-CG 3.23Å; V921-L925 PolarHBondContact O-N 3.17Å |
| 922 | Q | 79.7 | Confident | 75.6 | Confident | 24 Ų | 24 | 45.2 Ų | 45.2 | 11% | 0.112 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.4 | -43.9 | 178.6 | 177.1 | 57.5 | 15.8 | 0 | 0 | 111.2 | H856 Q857 A918 D919 K924 L925 E926 | H856-Q922 PolarHBondContact CD2-OE1 2.91Å; Q857-Q922 VanDerWaalsContact CG-NE2 3.3Å; A918-Q922 VanDerWaalsContact O-CB 3.24Å; A918-Q922 WeakPolarHBondContact O-CB 3.4Å; A918-Q922 PolarHBondContact O-N 3.46Å; D919-Q922 PolarHBondContact O-N 3.36Å; Q922-K924 PolarHBondContact O-N 3.01Å; Q922-L925 PolarHBondContact O-N 2.95Å; Q922-E926 HydrophobicContact CG-CG 4.45Å; Q922-E926 PolarHBondContact NE2-OE1 2.93Å; Q922-E926 WeakPolarHBondContact O-CB 3.39Å; Q922-E926 WeakPolarHBondContact O-CG 3.43Å; Q922-E926 PolarHBondContact O-N 2.8Å |
| 923 | A | 68.3 | Low | 75.2 | Confident | 27 Ų | 27 | 41.9 Ų | 41.9 | 22% | 0.223 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -56.4 | -46.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | D919 V921 Q927 | D919-A923 WeakPolarHBondContact O-CB 3.3Å; D919-A923 PolarHBondContact O-N 3.44Å; V921-A923 VanDerWaalsContact C-N 3.33Å; V921-A923 PolarHBondContact O-N 3.3Å; A923-Q927 WeakPolarHBondContact O-CB 3.29Å; A923-Q927 PolarHBondContact O-N 3.48Å |
| 924 | K | 71.8 | Confident | 75 | Confident | 90 Ų | 90 | 37 Ų | 37 | 39% | 0.391 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.7 | -41.9 | 176 | -77.3 | -177.6 | 172.2 | 178.6 | 0 | 112.6 | S841 V921 Q922 I928 | S841-K924 PolarHBondContact O-NZ 3.12Å; S841-K924 PolarHBondContact OG-NZ 3.16Å; V921-K924 WeakPolarHBondContact O-CB 3.46Å; V921-K924 PolarHBondContact O-N 2.94Å; Q922-K924 PolarHBondContact O-N 3.01Å; K924-I928 WeakPolarHBondContact O-CG1 3.25Å |
| 925 | L | 75.2 | Confident | 74.6 | Confident | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.6 | -45.3 | -179.5 | -64 | 172.4 | 0 | 0 | 0 | 110.8 | M840 V844 V849 I852 M853 H856 V921 Q922 Q927 I928 V929 | M840-L925 HydrophobicContact SD-CD1 4.28Å; V844-L925 HydrophobicContact CG1-CD2 4.1Å; V844-L925 HydrophobicContact CG2-CD2 4.35Å; V849-L925 HydrophobicContact CG1-CB 4.17Å; V849-L925 HydrophobicContact CG1-CD2 3.62Å; I852-L925 HydrophobicContact CG2-CD1 4.05Å; I852-L925 HydrophobicContact CG2-CD2 3.84Å; M853-L925 HydrophobicContact CB-CB 4.37Å; M853-L925 VanDerWaalsContact CE-C 3.45Å; M853-L925 HydrophobicContact CE-CB 4.37Å; M853-L925 WeakPolarHBondContact CE-O 3.16Å; M853-L925 HydrophobicContact CG-CB 4.49Å; M853-L925 VanDerWaalsContact SD-C 3.57Å; M853-L925 HydrophobicContact SD-CB 3.79Å; H856-L925 HydrophobicContact CB-CD1 3.47Å; H856-L925 VanDerWaalsContact CB-CD1 3.47Å; V921-L925 HydrophobicContact CG1-CD1 3.83Å; V921-L925 HydrophobicContact CG1-CG 4.21Å; V921-L925 WeakPolarHBondContact O-CG 3.23Å; V921-L925 PolarHBondContact O-N 3.17Å; Q922-L925 PolarHBondContact O-N 2.95Å; L925-Q927 VanDerWaalsContact C-N 3.3Å; L925-Q927 PolarHBondContact O-N 2.95Å; L925-I928 PolarHBondContact O-N 2.98Å; L925-V929 PolarHBondContact O-N 3.13Å |
| 926 | E | 71.1 | Confident | 74.2 | Confident | 43 Ų | 43 | 44.6 Ų | 44.6 | 20% | 0.201 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -56.3 | -43.4 | 177.8 | -79.9 | -162.6 | -167.5 | 0 | 0 | 112.7 | M853 Q922 I928 S930 K1003 | M853-E926 VanDerWaalsContact SD-CA 3.58Å; M853-E926 HydrophobicContact SD-CB 4.24Å; M853-E926 HydrophobicContact SD-CG 3.62Å; M853-E926 PolarHBondContact SD-N 2.79Å; M853-E926 VanDerWaalsContact SD-N 3.4Å; Q922-E926 HydrophobicContact CG-CG 4.45Å; Q922-E926 PolarHBondContact NE2-OE1 2.93Å; Q922-E926 WeakPolarHBondContact O-CB 3.39Å; Q922-E926 WeakPolarHBondContact O-CG 3.43Å; Q922-E926 PolarHBondContact O-N 2.8Å; E926-I928 VanDerWaalsContact C-N 3.32Å; E926-I928 PolarHBondContact O-N 3.45Å; E926-S930 WeakPolarHBondContact O-CB 3Å; E926-S930 PolarHBondContact O-N 3.36Å; E926-S930 VanDerWaalsContact O-N 3.14Å; E926-S930 PolarHBondContact O-OG 3.26Å; E926-K1003 IonicContact OE1-NZ 2.7Å; E926-K1003 PolarHBondContact OE1-NZ 3.34Å; E926-K1003 WeakPolarHBondContact OE2-CD 3.49Å; E926-K1003 WeakPolarHBondContact OE2-CE 3.36Å; E926-K1003 IonicContact OE2-NZ 3.22Å; E926-K1003 PolarHBondContact OE2-NZ 3.03Å |
| 927 | Q | 68.6 | Low | 74 | Confident | 77 Ų | 77 | 43.5 Ų | 43.5 | 36% | 0.36 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -54.6 | -46.2 | 177.7 | -177.7 | 174.3 | 19.5 | 0 | 0 | 112.2 | A923 L925 L931 H1005 | A923-Q927 WeakPolarHBondContact O-CB 3.29Å; A923-Q927 PolarHBondContact O-N 3.48Å; L925-Q927 VanDerWaalsContact C-N 3.3Å; L925-Q927 PolarHBondContact O-N 2.95Å; Q927-L931 WeakPolarHBondContact O-CB 3.45Å; Q927-L931 PolarHBondContact O-N 2.71Å; Q927-H1005 WeakPolarHBondContact CB-O 3.25Å; Q927-H1005 VanDerWaalsContact CD-O 3.3Å; Q927-H1005 VanDerWaalsContact CG-O 3.25Å; Q927-H1005 WeakPolarHBondContact CG-O 3.48Å |
| 928 | I | 72.7 | Confident | 73.8 | Confident | 50 Ų | 50 | 42.1 Ų | 42.1 | 26% | 0.256 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -76.1 | -49.5 | -170.7 | -58.3 | 164 | 0 | 0 | 0 | 111.8 | V844 M846 V849 K924 L925 E926 S930 L931 G932 | V844-I928 HydrophobicContact CG1-CD1 4.37Å; M846-I928 HydrophobicContact CG-CG2 3.72Å; M846-I928 HydrophobicContact SD-CG2 3.59Å; M846-I928 VanDerWaalsContact SD-CG2 3.59Å; V849-I928 HydrophobicContact CB-CB 4.48Å; V849-I928 HydrophobicContact CB-CG2 4.26Å; V849-I928 HydrophobicContact CG1-CB 4.25Å; V849-I928 HydrophobicContact CG2-CB 4.03Å; V849-I928 HydrophobicContact CG2-CD1 4.15Å; V849-I928 HydrophobicContact CG2-CG2 3.54Å; K924-I928 WeakPolarHBondContact O-CG1 3.25Å; L925-I928 PolarHBondContact O-N 2.98Å; E926-I928 VanDerWaalsContact C-N 3.32Å; E926-I928 PolarHBondContact O-N 3.45Å; I928-S930 PolarHBondContact O-N 3.31Å; I928-L931 PolarHBondContact O-N 3.34Å; I928-G932 PolarHBondContact O-N 3.11Å; I928-G932 VanDerWaalsContact O-N 3.09Å |
| 929 | V | 73.5 | Confident | 73.7 | Confident | 11 Ų | 11 | 46.5 Ų | 46.5 | 7% | 0.067 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -67 | -39.2 | -179.7 | 173.9 | 0 | 0 | 0 | 0 | 111.4 | V849 E850 M853 L925 L931 G932 Q933 | V849-V929 HydrophobicContact CB-CG2 3.65Å; V849-V929 HydrophobicContact CG1-CG2 3.62Å; E850-V929 HydrophobicContact CG-CG1 4.02Å; E850-V929 HydrophobicContact CG-CG2 4Å; M853-V929 HydrophobicContact CE-CB 3.33Å; M853-V929 HydrophobicContact CE-CG1 4.09Å; M853-V929 HydrophobicContact CE-CG2 3.32Å; L925-V929 PolarHBondContact O-N 3.13Å; V929-L931 VanDerWaalsContact C-N 3.28Å; V929-L931 PolarHBondContact O-N 2.94Å; V929-G932 PolarHBondContact O-N 3.43Å; V929-Q933 HydrophobicContact CG1-CG 3.97Å; V929-Q933 VanDerWaalsContact CG1-NE2 3.29Å; V929-Q933 WeakPolarHBondContact O-CB 3.43Å; V929-Q933 WeakPolarHBondContact O-CG 3.21Å; V929-Q933 PolarHBondContact O-N 2.78Å |
| 930 | S | 68.2 | Low | 73.7 | Confident | 33 Ų | 33 | 46.7 Ų | 46.7 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 179.5 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | E926 I928 L934 | E926-S930 WeakPolarHBondContact O-CB 3Å; E926-S930 PolarHBondContact O-N 3.36Å; E926-S930 VanDerWaalsContact O-N 3.14Å; E926-S930 PolarHBondContact O-OG 3.26Å; I928-S930 PolarHBondContact O-N 3.31Å; S930-L934 WeakPolarHBondContact O-CB 3.39Å; S930-L934 PolarHBondContact O-N 3.02Å |
| 931 | L | 69.7 | Low | 73.8 | Confident | 47 Ų | 47 | 43.7 Ų | 43.7 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.4 | -49.4 | 174.7 | -166.4 | 75.2 | 0 | 0 | 0 | 111.9 | Q927 I928 V929 Q933 L934 Q935 M1000 V1010 V1011 | Q927-L931 WeakPolarHBondContact O-CB 3.45Å; Q927-L931 PolarHBondContact O-N 2.71Å; I928-L931 PolarHBondContact O-N 3.34Å; V929-L931 VanDerWaalsContact C-N 3.28Å; V929-L931 PolarHBondContact O-N 2.94Å; L931-Q933 PolarHBondContact O-N 2.85Å; L931-L934 PolarHBondContact O-N 3.47Å; L931-Q935 PolarHBondContact O-N 2.93Å; L931-M1000 HydrophobicContact CB-CE 4.29Å; L931-M1000 HydrophobicContact CD1-CE 4.37Å; L931-V1010 HydrophobicContact CD1-CB 4.41Å; L931-V1010 HydrophobicContact CD1-CG1 4.05Å; L931-V1011 HydrophobicContact CD1-CG2 4.01Å |
| 932 | G | 71.6 | Confident | 73.7 | Confident | 7 Ų | 7 | 45 Ų | 45 | 7% | 0.072 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.4 | -44.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | I928 V929 Q935 N936 | I928-G932 PolarHBondContact O-N 3.11Å; I928-G932 VanDerWaalsContact O-N 3.09Å; V929-G932 PolarHBondContact O-N 3.43Å; G932-Q935 PolarHBondContact O-N 3.32Å; G932-N936 PolarHBondContact O-N 2.68Å |
| 933 | Q | 71.8 | Confident | 73.5 | Confident | 72 Ų | 72 | 46.6 Ų | 46.6 | 34% | 0.336 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -70.2 | -33.4 | 179 | -67.9 | -176.6 | -0.7 | 0 | 0 | 112.9 | E850 V929 L931 L937 | E850-Q933 WeakPolarHBondContact OE1-CG 3.25Å; E850-Q933 PolarHBondContact OE1-NE2 2.78Å; V929-Q933 HydrophobicContact CG1-CG 3.97Å; V929-Q933 VanDerWaalsContact CG1-NE2 3.29Å; V929-Q933 WeakPolarHBondContact O-CB 3.43Å; V929-Q933 WeakPolarHBondContact O-CG 3.21Å; V929-Q933 PolarHBondContact O-N 2.78Å; L931-Q933 PolarHBondContact O-N 2.85Å; Q933-L937 WeakPolarHBondContact O-CB 3.3Å; Q933-L937 PolarHBondContact O-N 2.84Å; Q933-L937 VanDerWaalsContact O-N 3.16Å |
| 934 | L | 73.3 | Confident | 73.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.1 | -44.6 | 172.7 | -168.4 | 79.1 | 0 | 0 | 0 | 110.9 | S930 L931 L937 A938 L993 K996 A997 M1000 V1011 | S930-L934 WeakPolarHBondContact O-CB 3.39Å; S930-L934 PolarHBondContact O-N 3.02Å; L931-L934 PolarHBondContact O-N 3.47Å; L934-L937 PolarHBondContact O-N 2.73Å; L934-A938 WeakPolarHBondContact O-CB 3.24Å; L934-A938 PolarHBondContact O-N 3.4Å; L934-L993 HydrophobicContact CD1-CD1 3.63Å; L934-L993 HydrophobicContact CD1-CG 4.29Å; L934-L993 HydrophobicContact CG-CD1 4Å; L934-K996 HydrophobicContact CD1-CB 4.17Å; L934-K996 HydrophobicContact CD1-CG 4.25Å; L934-A997 HydrophobicContact CD1-CB 3.93Å; L934-A997 HydrophobicContact CD2-CB 4.25Å; L934-M1000 HydrophobicContact CB-SD 4.13Å; L934-M1000 HydrophobicContact CD2-SD 4.07Å; L934-M1000 HydrophobicContact CG-SD 4.49Å; L934-V1011 HydrophobicContact CD2-CB 4.21Å; L934-V1011 HydrophobicContact CD2-CG1 3.83Å; L934-V1011 HydrophobicContact CD2-CG2 4.22Å |
| 935 | Q | 74.8 | Confident | 74.1 | Confident | 85 Ų | 85 | 44.5 Ų | 44.5 | 40% | 0.397 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.9 | -41.7 | 179.6 | -173.8 | 166.6 | 6.7 | 0 | 0 | 112.5 | L931 G932 A938 N939 M1014 | L931-Q935 PolarHBondContact O-N 2.93Å; G932-Q935 PolarHBondContact O-N 3.32Å; Q935-A938 PolarHBondContact O-N 3.49Å; Q935-N939 WeakPolarHBondContact O-CB 3.49Å; Q935-N939 VanDerWaalsContact O-CG 3.27Å; Q935-N939 PolarHBondContact O-N 3.47Å; Q935-N939 PolarHBondContact O-ND2 3.42Å; Q935-M1014 HydrophobicContact CB-CE 3.86Å; Q935-M1014 HydrophobicContact CB-SD 3.97Å; Q935-M1014 HydrophobicContact CG-CE 3.63Å; Q935-M1014 HydrophobicContact CG-SD 4.21Å |
| 936 | N | 75 | Confident | 74.2 | Confident | 105 Ų | 105 | 47.1 Ų | 47.1 | 56% | 0.561 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -63.5 | -43.1 | 175.7 | -77.4 | -24.3 | 0 | 0 | 0 | 112.4 | G932 N939 Q940 | G932-N936 PolarHBondContact O-N 2.68Å; N936-N939 PolarHBondContact O-N 3.02Å; N936-Q940 PolarHBondContact O-N 2.96Å |
| 937 | L | 75.1 | Confident | 74.3 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 20% | 0.199 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.3 | -42.6 | 176.6 | -173.3 | 64.1 | 0 | 0 | 0 | 111.7 | Q933 L934 N939 Q940 V941 A992 L993 | Q933-L937 WeakPolarHBondContact O-CB 3.3Å; Q933-L937 PolarHBondContact O-N 2.84Å; Q933-L937 VanDerWaalsContact O-N 3.16Å; L934-L937 PolarHBondContact O-N 2.73Å; L937-N939 PolarHBondContact O-N 3.09Å; L937-Q940 PolarHBondContact O-N 3.24Å; L937-V941 WeakPolarHBondContact O-CG2 3.43Å; L937-V941 PolarHBondContact O-N 2.82Å; L937-A992 HydrophobicContact CD2-CB 4.44Å; L937-L993 HydrophobicContact CB-CD1 4.02Å; L937-L993 HydrophobicContact CD2-CB 4.02Å; L937-L993 HydrophobicContact CD2-CD1 4Å; L937-L993 HydrophobicContact CG-CB 4.46Å; L937-L993 HydrophobicContact CG-CD1 4.04Å |
| 938 | A | 75.9 | Confident | 74.4 | Confident | 6 Ų | 6 | 45.3 Ų | 45.3 | 5% | 0.05 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -58.9 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | L934 Q935 Q940 V941 V942 L993 V1018 | L934-A938 WeakPolarHBondContact O-CB 3.24Å; L934-A938 PolarHBondContact O-N 3.4Å; Q935-A938 PolarHBondContact O-N 3.49Å; A938-Q940 VanDerWaalsContact C-N 3.32Å; A938-Q940 PolarHBondContact O-N 3.21Å; A938-V941 PolarHBondContact O-N 2.9Å; A938-V942 WeakPolarHBondContact O-CG2 3.42Å; A938-V942 PolarHBondContact O-N 3.38Å; A938-L993 HydrophobicContact CB-CD1 3.98Å; A938-L993 HydrophobicContact CB-CD2 4.25Å; A938-V1018 HydrophobicContact CB-CG2 4.03Å |
| 939 | N | 78.7 | Confident | 74.5 | Confident | 95 Ų | 95 | 45.6 Ų | 45.6 | 51% | 0.508 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.3 | -41 | 178 | -73.9 | -28.7 | 0 | 0 | 0 | 112.5 | Q935 N936 L937 A943 | Q935-N939 WeakPolarHBondContact O-CB 3.49Å; Q935-N939 VanDerWaalsContact O-CG 3.27Å; Q935-N939 PolarHBondContact O-N 3.47Å; Q935-N939 PolarHBondContact O-ND2 3.42Å; N936-N939 PolarHBondContact O-N 3.02Å; L937-N939 PolarHBondContact O-N 3.09Å; N939-A943 PolarHBondContact O-N 3.45Å; N939-A943 VanDerWaalsContact O-N 3.1Å |
| 940 | Q | 76.2 | Confident | 74.5 | Confident | 101 Ų | 101 | 51.5 Ų | 51.5 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.6 | -43.7 | 178.3 | -170 | 175.8 | 45.7 | 0 | 0 | 112.1 | N936 L937 A938 A943 W944 | N936-Q940 PolarHBondContact O-N 2.96Å; L937-Q940 PolarHBondContact O-N 3.24Å; A938-Q940 VanDerWaalsContact C-N 3.32Å; A938-Q940 PolarHBondContact O-N 3.21Å; Q940-A943 WeakPolarHBondContact O-CB 3.42Å; Q940-A943 PolarHBondContact O-N 3.38Å; Q940-W944 HydrophobicContact CG-CD2 4.47Å; Q940-W944 HydrophobicContact CG-CH2 3.69Å; Q940-W944 HydrophobicContact CG-CZ2 3.59Å; Q940-W944 HydrophobicContact CG-CZ3 4.17Å; Q940-W944 PolarHBondContact O-N 3.02Å |
| 941 | V | 78 | Confident | 74.6 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 177 | 176.1 | 0 | 0 | 0 | 0 | 111.5 | L937 A938 A943 W944 I945 T986 T990 V1018 | L937-V941 WeakPolarHBondContact O-CG2 3.43Å; L937-V941 PolarHBondContact O-N 2.82Å; A938-V941 PolarHBondContact O-N 2.9Å; V941-A943 VanDerWaalsContact C-N 3.31Å; V941-A943 PolarHBondContact O-N 3.41Å; V941-W944 HydrophobicContact CG2-CE3 4.3Å; V941-W944 HydrophobicContact CG2-CZ3 4.22Å; V941-W944 PolarHBondContact O-N 3.49Å; V941-I945 HydrophobicContact CG1-CD1 3.9Å; V941-I945 HydrophobicContact CG1-CG1 4.46Å; V941-I945 WeakPolarHBondContact O-CG1 3.29Å; V941-I945 PolarHBondContact O-N 3.46Å; V941-T986 HydrophobicContact CG1-CG2 4.08Å; V941-T990 WeakPolarHBondContact CG1-OG1 3.47Å; V941-V1018 HydrophobicContact CB-CG1 4.2Å; V941-V1018 HydrophobicContact CG1-CG1 3.54Å |
| 942 | V | 78.6 | Confident | 74.7 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 19% | 0.188 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.5 | -41.4 | 173.6 | 168.5 | 0 | 0 | 0 | 0 | 111.6 | A938 W944 I945 N946 V1018 | A938-V942 WeakPolarHBondContact O-CG2 3.42Å; A938-V942 PolarHBondContact O-N 3.38Å; V942-W944 VanDerWaalsContact C-N 3.34Å; V942-W944 PolarHBondContact O-N 2.87Å; V942-I945 PolarHBondContact O-N 3.48Å; V942-N946 WeakPolarHBondContact O-CB 3.38Å; V942-N946 PolarHBondContact O-N 2.99Å; V942-N946 PolarHBondContact O-ND2 3.07Å; V942-N946 PolarHBondContact O-OD1 3.21Å; V942-V1018 HydrophobicContact CG2-CG2 3.92Å |
| 943 | A | 75.7 | Confident | 74.6 | Confident | 56 Ų | 56 | 53.6 Ų | 53.6 | 46% | 0.463 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -62.2 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | N939 Q940 V941 N947 | N939-A943 PolarHBondContact O-N 3.45Å; N939-A943 VanDerWaalsContact O-N 3.1Å; Q940-A943 WeakPolarHBondContact O-CB 3.42Å; Q940-A943 PolarHBondContact O-N 3.38Å; V941-A943 VanDerWaalsContact C-N 3.31Å; V941-A943 PolarHBondContact O-N 3.41Å; A943-N947 PolarHBondContact O-N 3.23Å |
| 944 | W | 76.1 | Confident | 74.4 | Confident | 74 Ų | 74 | 54.6 Ų | 54.6 | 28% | 0.28 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68 | -43.2 | 174.7 | -63.1 | -34.2 | 0 | 0 | 0 | 112.7 | Q940 V941 V942 N946 N947 E948 S989 | Q940-W944 HydrophobicContact CG-CD2 4.47Å; Q940-W944 HydrophobicContact CG-CH2 3.69Å; Q940-W944 HydrophobicContact CG-CZ2 3.59Å; Q940-W944 HydrophobicContact CG-CZ3 4.17Å; Q940-W944 PolarHBondContact O-N 3.02Å; V941-W944 HydrophobicContact CG2-CE3 4.3Å; V941-W944 HydrophobicContact CG2-CZ3 4.22Å; V941-W944 PolarHBondContact O-N 3.49Å; V942-W944 VanDerWaalsContact C-N 3.34Å; V942-W944 PolarHBondContact O-N 2.87Å; W944-N946 VanDerWaalsContact C-N 3.32Å; W944-N946 PolarHBondContact O-N 3.23Å; W944-N947 WeakPolarHBondContact O-CB 3.45Å; W944-N947 PolarHBondContact O-N 3.44Å; W944-N947 VanDerWaalsContact O-N 3.14Å; W944-E948 PolarHBondContact O-N 3.19Å; W944-E948 VanDerWaalsContact O-N 3.15Å; W944-S989 WeakPolarHBondContact CZ3-OG 3.42Å |
| 945 | I | 75.9 | Confident | 74.4 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.7 | -43 | 177.5 | -64.8 | 165.9 | 0 | 0 | 0 | 111 | V941 V942 N947 E948 E949 T986 V1018 R1021 W1022 L1025 | V941-I945 HydrophobicContact CG1-CD1 3.9Å; V941-I945 HydrophobicContact CG1-CG1 4.46Å; V941-I945 WeakPolarHBondContact O-CG1 3.29Å; V941-I945 PolarHBondContact O-N 3.46Å; V942-I945 PolarHBondContact O-N 3.48Å; I945-N947 PolarHBondContact O-N 3.04Å; I945-E948 PolarHBondContact O-N 3.48Å; I945-E949 HydrophobicContact CG2-CG 4.47Å; I945-E949 PolarHBondContact O-N 3.17Å; I945-T986 HydrophobicContact CD1-CG2 4.35Å; I945-T986 HydrophobicContact CG1-CG2 3.73Å; I945-V1018 HydrophobicContact CD1-CG1 4.44Å; I945-R1021 HydrophobicContact CD1-CB 4.15Å; I945-R1021 HydrophobicContact CG2-CB 4.1Å; I945-W1022 HydrophobicContact CD1-CB 4.14Å; I945-W1022 HydrophobicContact CG1-CE3 4.37Å; I945-L1025 HydrophobicContact CG2-CB 4.49Å; I945-L1025 HydrophobicContact CG2-CD2 4.28Å |
| 946 | N | 76.9 | Confident | 74.4 | Confident | 59 Ų | 59 | 52.8 Ų | 52.8 | 32% | 0.316 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.9 | -28.6 | 177.9 | -63.7 | -16.5 | 0 | 0 | 0 | 113 | V942 W944 Q950 R1021 | V942-N946 WeakPolarHBondContact O-CB 3.38Å; V942-N946 PolarHBondContact O-N 2.99Å; V942-N946 PolarHBondContact O-ND2 3.07Å; V942-N946 PolarHBondContact O-OD1 3.21Å; W944-N946 VanDerWaalsContact C-N 3.32Å; W944-N946 PolarHBondContact O-N 3.23Å; N946-Q950 PolarHBondContact O-N 2.68Å; N946-Q950 PolarHBondContact O-NE2 3.21Å; N946-R1021 PolarHBondContact OD1-NH1 3.24Å |
| 947 | N | 73.3 | Confident | 74.5 | Confident | 80 Ų | 80 | 50.1 Ų | 50.1 | 43% | 0.428 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -73.3 | -44.8 | 175.4 | -174.4 | 78.9 | 0 | 0 | 0 | 111.4 | A943 W944 I945 Q950 M951 | A943-N947 PolarHBondContact O-N 3.23Å; W944-N947 WeakPolarHBondContact O-CB 3.45Å; W944-N947 PolarHBondContact O-N 3.44Å; W944-N947 VanDerWaalsContact O-N 3.14Å; I945-N947 PolarHBondContact O-N 3.04Å; N947-Q950 WeakPolarHBondContact O-CB 3.27Å; N947-Q950 PolarHBondContact O-N 3.13Å; N947-M951 PolarHBondContact O-N 2.95Å |
| 948 | E | 71.8 | Confident | 74.9 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.009 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -70.8 | -34.5 | 179.4 | -60.1 | -48.5 | 104.4 | 0 | 0 | 112.5 | W944 I945 Q950 M951 L952 M979 L982 L1025 | W944-E948 PolarHBondContact O-N 3.19Å; W944-E948 VanDerWaalsContact O-N 3.15Å; I945-E948 PolarHBondContact O-N 3.48Å; E948-Q950 VanDerWaalsContact C-N 3.26Å; E948-Q950 PolarHBondContact O-N 2.9Å; E948-M951 PolarHBondContact O-N 3.29Å; E948-L952 WeakPolarHBondContact O-CB 3.34Å; E948-L952 PolarHBondContact O-N 3.26Å; E948-M979 WeakPolarHBondContact OE2-CA 3.2Å; E948-L982 HydrophobicContact CG-CB 4.27Å; E948-L1025 HydrophobicContact CB-CD1 4.18Å; E948-L1025 HydrophobicContact CB-CD2 3.72Å; E948-L1025 HydrophobicContact CG-CD2 4.46Å |
| 949 | E | 74.5 | Confident | 75.4 | Confident | 56 Ų | 56 | 48.1 Ų | 48.1 | 26% | 0.262 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -59.6 | -36.6 | 170.6 | -78.2 | -163.4 | 141.1 | 0 | 0 | 111.6 | I945 S953 R1024 L1025 | I945-E949 HydrophobicContact CG2-CG 4.47Å; I945-E949 PolarHBondContact O-N 3.17Å; E949-S953 WeakPolarHBondContact O-CB 3.37Å; E949-S953 PolarHBondContact O-N 3.02Å; E949-R1024 IonicContact OE1-NE 3.46Å; E949-R1024 PolarHBondContact OE1-NE 3.14Å; E949-L1025 HydrophobicContact CG-CD1 4.04Å |
| 950 | Q | 73.4 | Confident | 75.5 | Confident | 134 Ų | 134 | 45 Ų | 45 | 63% | 0.626 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -69.6 | -45.1 | 174.2 | -74.9 | -179.8 | 63.2 | 0 | 0 | 112.4 | N946 N947 E948 L952 S953 A954 | N946-Q950 PolarHBondContact O-N 2.68Å; N946-Q950 PolarHBondContact O-NE2 3.21Å; N947-Q950 WeakPolarHBondContact O-CB 3.27Å; N947-Q950 PolarHBondContact O-N 3.13Å; E948-Q950 VanDerWaalsContact C-N 3.26Å; E948-Q950 PolarHBondContact O-N 2.9Å; Q950-L952 VanDerWaalsContact C-N 3.34Å; Q950-L952 PolarHBondContact O-N 3.3Å; Q950-S953 WeakPolarHBondContact O-CB 3.44Å; Q950-S953 PolarHBondContact O-N 3.49Å; Q950-S953 VanDerWaalsContact O-N 3.13Å; Q950-S953 PolarHBondContact O-OG 3.35Å; Q950-A954 PolarHBondContact O-N 3.05Å |
| 951 | M | 70.4 | Confident | 76 | Confident | 81 Ų | 81 | 43 Ų | 43 | 40% | 0.399 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -58.9 | -44.3 | 176.4 | -73.6 | -73.2 | -76.7 | 0 | 0 | 111.9 | N947 E948 S953 | N947-M951 PolarHBondContact O-N 2.95Å; E948-M951 PolarHBondContact O-N 3.29Å; M951-S953 VanDerWaalsContact C-N 3.31Å; M951-S953 PolarHBondContact O-N 3.12Å |
| 952 | L | 71.7 | Confident | 76.4 | Confident | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 176 | -161.8 | 74.1 | 0 | 0 | 0 | 111.2 | E948 Q950 A954 T955 F956 Y972 M979 L1025 L1028 | E948-L952 WeakPolarHBondContact O-CB 3.34Å; E948-L952 PolarHBondContact O-N 3.26Å; Q950-L952 VanDerWaalsContact C-N 3.34Å; Q950-L952 PolarHBondContact O-N 3.3Å; L952-A954 VanDerWaalsContact C-N 3.27Å; L952-A954 PolarHBondContact O-N 2.91Å; L952-T955 PolarHBondContact O-N 3.46Å; L952-T955 PolarHBondContact O-OG1 3.36Å; L952-F956 HydrophobicContact CD2-CZ 4Å; L952-F956 HydrophobicContact CG-CZ 4.26Å; L952-Y972 HydrophobicContact CD1-CE2 4.25Å; L952-M979 HydrophobicContact CD1-CE 4.12Å; L952-M979 HydrophobicContact CD1-SD 4.33Å; L952-L1025 HydrophobicContact CD2-CD1 4.46Å; L952-L1028 HydrophobicContact CD2-CB 3.78Å |
| 953 | S | 69.4 | Low | 76.8 | Confident | 49 Ų | 49 | 47.6 Ų | 47.6 | 34% | 0.343 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.3 | -33.4 | -175.5 | 80.9 | 0 | 0 | 0 | 0 | 114.3 | E949 Q950 M951 T955 F956 | E949-S953 WeakPolarHBondContact O-CB 3.37Å; E949-S953 PolarHBondContact O-N 3.02Å; Q950-S953 WeakPolarHBondContact O-CB 3.44Å; Q950-S953 PolarHBondContact O-N 3.49Å; Q950-S953 VanDerWaalsContact O-N 3.13Å; Q950-S953 PolarHBondContact O-OG 3.35Å; M951-S953 VanDerWaalsContact C-N 3.31Å; M951-S953 PolarHBondContact O-N 3.12Å; S953-T955 PolarHBondContact O-N 2.87Å; S953-F956 PolarHBondContact O-N 3.3Å |
| 954 | A | 68.7 | Low | 77.2 | Confident | 92 Ų | 92 | 47.8 Ų | 47.8 | 76% | 0.76 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -20.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q950 L952 | Q950-A954 PolarHBondContact O-N 3.05Å; L952-A954 VanDerWaalsContact C-N 3.27Å; L952-A954 PolarHBondContact O-N 2.91Å |
| 955 | T | 72.7 | Confident | 77.7 | Confident | 12 Ų | 12 | 44.3 Ų | 44.3 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -3.2 | -175.3 | 71.6 | 0 | 0 | 0 | 0 | 114.6 | L952 S953 A957 C975 R1032 | L952-T955 PolarHBondContact O-N 3.46Å; L952-T955 PolarHBondContact O-OG1 3.36Å; S953-T955 PolarHBondContact O-N 2.87Å; T955-A957 VanDerWaalsContact C-N 3.35Å; T955-A957 PolarHBondContact O-N 2.94Å; T955-A957 VanDerWaalsContact O-N 3.13Å; T955-C975 HydrophobicContact CG2-CB 4.23Å; T955-R1032 PolarHBondContact O-NE 3.04Å; T955-R1032 PolarHBondContact O-NH2 3.4Å |
| 956 | F | 74.1 | Confident | 78 | Confident | 36 Ų | 36 | 47 Ų | 47 | 16% | 0.158 | 28% | 0.276 | C | S | . | . | trans | -69.7 | -8.5 | -160.8 | -88.1 | -48.4 | 0 | 0 | 0 | 118.5 | L952 S953 R1032 | L952-F956 HydrophobicContact CD2-CZ 4Å; L952-F956 HydrophobicContact CG-CZ 4.26Å; S953-F956 PolarHBondContact O-N 3.3Å; F956-R1032 PolarHBondContact O-NH1 3.24Å | ||
| 957 | A | 78.3 | Confident | 78.4 | Confident | 49 Ų | 49 | 49.1 Ų | 49.1 | 41% | 0.405 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -51.7 | 142.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T955 L968 R1032 | T955-A957 VanDerWaalsContact C-N 3.35Å; T955-A957 PolarHBondContact O-N 2.94Å; T955-A957 VanDerWaalsContact O-N 3.13Å; A957-L968 HydrophobicContact CB-CD1 4.05Å; A957-L968 HydrophobicContact CB-CD2 4.39Å; A957-R1032 VanDerWaalsContact O-CZ 3.29Å; A957-R1032 PolarHBondContact O-NH1 3.13Å; A957-R1032 PolarHBondContact O-NH2 3.28Å |
| 958 | V | 82.2 | Confident | 78.9 | Confident | 2 Ų | 2 | 46.4 Ų | 46.4 | 1% | 0.012 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 122 | 179.2 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | S960 L1035 F1119 V1123 C1139 V1142 | V958-S960 PolarHBondContact O-N 2.83Å; V958-L1035 HydrophobicContact CG2-CD1 4.49Å; V958-F1119 HydrophobicContact CG1-CZ 4.39Å; V958-V1123 HydrophobicContact CG1-CG1 4.33Å; V958-V1123 HydrophobicContact CG1-CG2 3.81Å; V958-C1139 VanDerWaalsContact CG2-SG 3.55Å; V958-V1142 HydrophobicContact CB-CG2 4.49Å; V958-V1142 HydrophobicContact CG1-CB 4.16Å; V958-V1142 HydrophobicContact CG1-CG1 4.06Å; V958-V1142 HydrophobicContact CG1-CG2 4.07Å |
| 959 | P | 85.9 | Confident | 79.5 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -62.6 | 129.1 | -176.1 | -20.1 | 29.2 | 0 | 0 | 0 | 114.2 | E964 A965 L968 L1036 A1039 Y1043 V1142 | P959-E964 HydrophobicContact CB-CG 4.4Å; P959-A965 HydrophobicContact CB-CB 3.58Å; P959-A965 HydrophobicContact CG-CB 4.04Å; P959-L968 HydrophobicContact CG-CD1 3.96Å; P959-L1036 HydrophobicContact CG-CD2 3.77Å; P959-A1039 HydrophobicContact CB-CB 4.23Å; P959-A1039 HydrophobicContact CG-CB 4.01Å; P959-Y1043 PolarHBondContact O-OH 3.46Å; P959-V1142 WeakPolarHBondContact O-CG1 3.43Å |
| 960 | S | 82.5 | Confident | 79.6 | Confident | 28 Ų | 28 | 49.2 Ų | 49.2 | 20% | 0.196 | 29% | 0.289 | C | S | . | . | trans | -104.4 | -12.1 | -179.9 | 79.3 | 0 | 0 | 0 | 0 | 114.4 | V958 E964 Y1043 R1145 | V958-S960 PolarHBondContact O-N 2.83Å; S960-E964 WeakPolarHBondContact CA-OE2 3.45Å; S960-E964 VanDerWaalsContact CB-OE2 3.3Å; S960-E964 WeakPolarHBondContact CB-OE2 3.3Å; S960-E964 PolarHBondContact N-OE2 3.03Å; S960-E964 PolarHBondContact OG-OE2 2.94Å; S960-Y1043 VanDerWaalsContact C-OH 3.26Å; S960-Y1043 WeakPolarHBondContact CA-OH 3.36Å; S960-Y1043 PolarHBondContact O-OH 2.7Å; S960-R1145 PolarHBondContact OG-NH1 3.45Å | ||
| 961 | V | 86.9 | Confident | 79.9 | Confident | 61 Ų | 61 | 46 Ų | 46 | 37% | 0.37 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -148.5 | 166.1 | 177.8 | -63.8 | 0 | 0 | 0 | 0 | 111.3 | S963 E964 A965 | V961-S963 PolarHBondContact O-N 3.05Å; V961-E964 HydrophobicContact CG2-CB 3.64Å; V961-E964 PolarHBondContact O-N 3.32Å; V961-A965 WeakPolarHBondContact O-CB 3.39Å; V961-A965 PolarHBondContact O-N 3.48Å |
| 962 | L | 86.3 | Confident | 80.3 | Confident | 44 Ų | 44 | 42.8 Ų | 42.8 | 23% | 0.23 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -44.8 | -178 | -179.7 | 53.6 | 0 | 0 | 0 | 113.9 | A965 T966 K1044 D1047 | L962-A965 WeakPolarHBondContact O-CB 3.4Å; L962-A965 PolarHBondContact O-N 3.1Å; L962-T966 HydrophobicContact CD1-CG2 4.29Å; L962-T966 PolarHBondContact O-N 3.08Å; L962-T966 PolarHBondContact O-OG1 2.88Å; L962-K1044 HydrophobicContact CD1-CD 4.49Å; L962-K1044 HydrophobicContact CD1-CG 3.64Å; L962-K1044 HydrophobicContact CD2-CG 4.05Å; L962-D1047 WeakPolarHBondContact CD2-OD2 3.3Å |
| 963 | S | 85.5 | Confident | 80.4 | Confident | 83 Ų | 83 | 52 Ų | 52 | 58% | 0.58 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -62.8 | -46 | -178.1 | 50.2 | 0 | 0 | 0 | 0 | 112.1 | V961 A965 T966 Q967 | V961-S963 PolarHBondContact O-N 3.05Å; S963-A965 VanDerWaalsContact C-N 3.33Å; S963-A965 PolarHBondContact O-N 2.82Å; S963-T966 WeakPolarHBondContact CA-OG1 3.27Å; S963-T966 PolarHBondContact O-N 2.97Å; S963-T966 PolarHBondContact O-OG1 3.38Å; S963-Q967 WeakPolarHBondContact O-CB 3.43Å; S963-Q967 PolarHBondContact O-N 3.36Å |
| 964 | E | 84.6 | Confident | 80.7 | Confident | 60 Ų | 60 | 57.6 Ų | 57.6 | 28% | 0.28 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.1 | -41.7 | 173 | -174.6 | -178.7 | -170 | 0 | 0 | 111.6 | P959 S960 V961 Q967 L968 | P959-E964 HydrophobicContact CB-CG 4.4Å; S960-E964 WeakPolarHBondContact CA-OE2 3.45Å; S960-E964 VanDerWaalsContact CB-OE2 3.3Å; S960-E964 WeakPolarHBondContact CB-OE2 3.3Å; S960-E964 PolarHBondContact N-OE2 3.03Å; S960-E964 PolarHBondContact OG-OE2 2.94Å; V961-E964 HydrophobicContact CG2-CB 3.64Å; V961-E964 PolarHBondContact O-N 3.32Å; E964-Q967 PolarHBondContact O-N 2.81Å; E964-L968 HydrophobicContact CG-CD1 3.92Å; E964-L968 WeakPolarHBondContact O-CB 3.42Å; E964-L968 WeakPolarHBondContact O-CG 3.35Å; E964-L968 PolarHBondContact O-N 2.81Å |
| 965 | A | 86.2 | Confident | 80.9 | Confident | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.1 | -41 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P959 V961 L962 S963 Q969 A1039 V1040 Y1043 | P959-A965 HydrophobicContact CB-CB 3.58Å; P959-A965 HydrophobicContact CG-CB 4.04Å; V961-A965 WeakPolarHBondContact O-CB 3.39Å; V961-A965 PolarHBondContact O-N 3.48Å; L962-A965 WeakPolarHBondContact O-CB 3.4Å; L962-A965 PolarHBondContact O-N 3.1Å; S963-A965 VanDerWaalsContact C-N 3.33Å; S963-A965 PolarHBondContact O-N 2.82Å; A965-Q969 VanDerWaalsContact O-CB 3.26Å; A965-Q969 WeakPolarHBondContact O-CB 3.36Å; A965-Q969 PolarHBondContact O-N 3.42Å; A965-Q969 VanDerWaalsContact O-N 3.08Å; A965-A1039 HydrophobicContact CB-CB 4.15Å; A965-V1040 HydrophobicContact CB-CG2 3.67Å; A965-V1040 WeakPolarHBondContact O-CG2 3.46Å; A965-Y1043 HydrophobicContact CB-CD2 4.36Å |
| 966 | T | 83.5 | Confident | 80.7 | Confident | 56 Ų | 56 | 54.2 Ų | 54.2 | 34% | 0.344 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -70.4 | -38.6 | 175.4 | 46.4 | 0 | 0 | 0 | 0 | 113 | L962 S963 Q969 S970 V1040 | L962-T966 HydrophobicContact CD1-CG2 4.29Å; L962-T966 PolarHBondContact O-N 3.08Å; L962-T966 PolarHBondContact O-OG1 2.88Å; S963-T966 WeakPolarHBondContact CA-OG1 3.27Å; S963-T966 PolarHBondContact O-N 2.97Å; S963-T966 PolarHBondContact O-OG1 3.38Å; T966-Q969 PolarHBondContact O-N 3Å; T966-S970 PolarHBondContact O-N 2.85Å; T966-S970 PolarHBondContact O-OG 2.87Å; T966-V1040 HydrophobicContact CG2-CG1 4.38Å; T966-V1040 HydrophobicContact CG2-CG2 4.33Å |
| 967 | Q | 83.7 | Confident | 80.3 | Confident | 105 Ų | 105 | 61.6 Ų | 61.6 | 49% | 0.491 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -50.6 | 178.3 | -176.7 | 60.8 | 51.3 | 0 | 0 | 111 | S963 E964 Q969 S970 D971 | S963-Q967 WeakPolarHBondContact O-CB 3.43Å; S963-Q967 PolarHBondContact O-N 3.36Å; E964-Q967 PolarHBondContact O-N 2.81Å; Q967-Q969 PolarHBondContact O-N 3.26Å; Q967-S970 WeakPolarHBondContact CA-OG 3.28Å; Q967-S970 PolarHBondContact O-N 2.8Å; Q967-S970 PolarHBondContact O-OG 2.79Å; Q967-D971 PolarHBondContact NE2-OD1 2.95Å; Q967-D971 PolarHBondContact NE2-OD2 3.08Å; Q967-D971 PolarHBondContact O-N 3.23Å |
| 968 | L | 84.1 | Confident | 79.6 | Confident | 22 Ų | 22 | 61.2 Ų | 61.2 | 12% | 0.115 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -64.3 | -28.3 | 177 | -69.6 | 167.7 | 0 | 0 | 0 | 112.1 | A957 P959 E964 Y972 L1036 | A957-L968 HydrophobicContact CB-CD1 4.05Å; A957-L968 HydrophobicContact CB-CD2 4.39Å; P959-L968 HydrophobicContact CG-CD1 3.96Å; E964-L968 HydrophobicContact CG-CD1 3.92Å; E964-L968 WeakPolarHBondContact O-CB 3.42Å; E964-L968 WeakPolarHBondContact O-CG 3.35Å; E964-L968 PolarHBondContact O-N 2.81Å; L968-Y972 WeakPolarHBondContact O-CB 3.44Å; L968-Y972 PolarHBondContact O-N 3.01Å; L968-L1036 HydrophobicContact CB-CD2 3.63Å |
| 969 | Q | 84.7 | Confident | 78.6 | Confident | 60 Ų | 60 | 61.2 Ų | 61.2 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.8 | -35.6 | 170.9 | -170.5 | 176.7 | 61.3 | 0 | 0 | 112.5 | A965 T966 Q967 R973 V1040 | A965-Q969 VanDerWaalsContact O-CB 3.26Å; A965-Q969 WeakPolarHBondContact O-CB 3.36Å; A965-Q969 PolarHBondContact O-N 3.42Å; A965-Q969 VanDerWaalsContact O-N 3.08Å; T966-Q969 PolarHBondContact O-N 3Å; Q967-Q969 PolarHBondContact O-N 3.26Å; Q969-R973 WeakPolarHBondContact O-CB 3.48Å; Q969-R973 PolarHBondContact O-N 2.98Å; Q969-V1040 HydrophobicContact CB-CG2 4.4Å |
| 970 | S | 77.7 | Confident | 77.6 | Confident | 58 Ų | 58 | 66 Ų | 66 | 41% | 0.406 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.2 | -39.8 | 171 | 42.5 | 0 | 0 | 0 | 0 | 113 | T966 Q967 R973 F974 | T966-S970 PolarHBondContact O-N 2.85Å; T966-S970 PolarHBondContact O-OG 2.87Å; Q967-S970 WeakPolarHBondContact CA-OG 3.28Å; Q967-S970 PolarHBondContact O-N 2.8Å; Q967-S970 PolarHBondContact O-OG 2.79Å; S970-R973 WeakPolarHBondContact O-CB 3.26Å; S970-R973 PolarHBondContact O-N 3.31Å; S970-R973 VanDerWaalsContact O-N 3.15Å; S970-F974 PolarHBondContact O-N 3.11Å |
| 971 | D | 79.2 | Confident | 76.8 | Confident | 65 Ų | 65 | 68.5 Ų | 68.5 | 35% | 0.348 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.5 | -44.8 | -179.8 | -58.5 | -24.5 | 0 | 0 | 0 | 110.7 | Q967 R973 F974 C975 | Q967-D971 PolarHBondContact NE2-OD1 2.95Å; Q967-D971 PolarHBondContact NE2-OD2 3.08Å; Q967-D971 PolarHBondContact O-N 3.23Å; D971-R973 VanDerWaalsContact C-N 3.29Å; D971-R973 PolarHBondContact O-N 3.49Å; D971-F974 PolarHBondContact O-N 2.52Å; D971-C975 WeakPolarHBondContact O-CB 3.42Å; D971-C975 PolarHBondContact O-N 3.1Å |
| 972 | Y | 78 | Confident | 75.8 | Confident | 14 Ų | 14 | 68 Ų | 68 | 6% | 0.055 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -36.6 | 170.4 | 176 | -94.3 | 0 | 0 | 0 | 112.1 | L952 L968 C975 C976 T1029 R1032 H1033 L1036 | L952-Y972 HydrophobicContact CD1-CE2 4.25Å; L968-Y972 WeakPolarHBondContact O-CB 3.44Å; L968-Y972 PolarHBondContact O-N 3.01Å; Y972-C975 PolarHBondContact O-N 2.84Å; Y972-C976 WeakPolarHBondContact CE1-SG 3.36Å; Y972-C976 WeakPolarHBondContact O-CB 3.45Å; Y972-C976 PolarHBondContact O-N 3.28Å; Y972-C976 PolarHBondContact O-SG 3.3Å; Y972-T1029 WeakPolarHBondContact OH-CG2 3.48Å; Y972-T1029 PolarHBondContact OH-O 3.01Å; Y972-R1032 HydrophobicContact CD2-CB 4.36Å; Y972-R1032 HydrophobicContact CD2-CG 3.63Å; Y972-R1032 HydrophobicContact CE2-CB 3.84Å; Y972-R1032 HydrophobicContact CE2-CG 3.63Å; Y972-H1033 HydrophobicContact CE1-CB 3.89Å; Y972-H1033 AromaticContact CE1-ND1 3.75Å; Y972-H1033 WeakPolarHBondContact OH-CB 3.5Å; Y972-L1036 VanDerWaalsContact CB-CD1 3.46Å; Y972-L1036 HydrophobicContact CD1-CD1 4.16Å; Y972-L1036 HydrophobicContact CD2-CD1 4.15Å; Y972-L1036 HydrophobicContact CG-CD1 3.66Å |
| 973 | R | 75.3 | Confident | 74.9 | Confident | 196 Ų | 196 | 67.5 Ų | 67.5 | 74% | 0.74 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -69.4 | -34.5 | 176.6 | -175.3 | 174.5 | -176.5 | 150.2 | 1.9 | 112.6 | Q969 S970 D971 Y977 | Q969-R973 WeakPolarHBondContact O-CB 3.48Å; Q969-R973 PolarHBondContact O-N 2.98Å; S970-R973 WeakPolarHBondContact O-CB 3.26Å; S970-R973 PolarHBondContact O-N 3.31Å; S970-R973 VanDerWaalsContact O-N 3.15Å; D971-R973 VanDerWaalsContact C-N 3.29Å; D971-R973 PolarHBondContact O-N 3.49Å; R973-Y977 PolarHBondContact O-N 3.45Å |
| 974 | F | 73.9 | Confident | 74.1 | Confident | 167 Ų | 167 | 69.5 Ų | 69.5 | 73% | 0.732 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -68.9 | -47.1 | 172.5 | -169.4 | -91.6 | 0 | 0 | 0 | 110.8 | S970 D971 C976 Y977 S978 | S970-F974 PolarHBondContact O-N 3.11Å; D971-F974 PolarHBondContact O-N 2.52Å; F974-C976 VanDerWaalsContact C-N 3.31Å; F974-C976 PolarHBondContact O-N 2.67Å; F974-Y977 WeakPolarHBondContact O-CB 3.04Å; F974-Y977 PolarHBondContact O-N 2.95Å; F974-S978 PolarHBondContact O-N 2.94Å |
| 975 | C | 73 | Confident | 73.4 | Confident | 8 Ų | 8 | 72.5 Ų | 72.5 | 5% | 0.054 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.2 | -42.8 | 172.9 | -174.2 | 0 | 0 | 0 | 0 | 111.9 | T955 D971 Y972 Y977 S978 M979 | T955-C975 HydrophobicContact CG2-CB 4.23Å; D971-C975 WeakPolarHBondContact O-CB 3.42Å; D971-C975 PolarHBondContact O-N 3.1Å; Y972-C975 PolarHBondContact O-N 2.84Å; C975-Y977 VanDerWaalsContact C-N 3.27Å; C975-Y977 PolarHBondContact O-N 3.42Å; C975-S978 PolarHBondContact O-N 3.41Å; C975-S978 PolarHBondContact O-OG 3.05Å; C975-M979 WeakPolarHBondContact O-CB 3.12Å; C975-M979 PolarHBondContact O-N 3.14Å |
| 976 | C | 68.3 | Low | 72.8 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 16% | 0.162 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -62 | -30.6 | 173.6 | -75.6 | 0 | 0 | 0 | 0 | 113.5 | Y972 F974 M979 L980 | Y972-C976 WeakPolarHBondContact CE1-SG 3.36Å; Y972-C976 WeakPolarHBondContact O-CB 3.45Å; Y972-C976 PolarHBondContact O-N 3.28Å; Y972-C976 PolarHBondContact O-SG 3.3Å; F974-C976 VanDerWaalsContact C-N 3.31Å; F974-C976 PolarHBondContact O-N 2.67Å; C976-M979 HydrophobicContact CB-CE 4.5Å; C976-L980 VanDerWaalsContact O-CB 3.26Å; C976-L980 WeakPolarHBondContact O-CB 3.21Å; C976-L980 WeakPolarHBondContact O-CD1 3.22Å; C976-L980 WeakPolarHBondContact O-CG 3.11Å; C976-L980 PolarHBondContact O-N 3.37Å |
| 977 | Y | 65.6 | Low | 72.2 | Confident | 191 Ų | 191 | 73.4 Ų | 73.4 | 75% | 0.749 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -73.9 | -38.2 | -179.8 | -160.3 | -89.8 | 0 | 0 | 0 | 112.1 | R973 F974 C975 | R973-Y977 PolarHBondContact O-N 3.45Å; F974-Y977 WeakPolarHBondContact O-CB 3.04Å; F974-Y977 PolarHBondContact O-N 2.95Å; C975-Y977 VanDerWaalsContact C-N 3.27Å; C975-Y977 PolarHBondContact O-N 3.42Å |
| 978 | S | 63.7 | Low | 71.7 | Confident | 41 Ų | 41 | 73.8 Ų | 73.8 | 29% | 0.287 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -68.8 | -47.1 | 168.4 | 49.8 | 0 | 0 | 0 | 0 | 111.4 | F974 C975 L980 C981 | F974-S978 PolarHBondContact O-N 2.94Å; C975-S978 PolarHBondContact O-N 3.41Å; C975-S978 PolarHBondContact O-OG 3.05Å; S978-L980 PolarHBondContact O-N 3Å; S978-C981 PolarHBondContact O-N 2.94Å |
| 979 | M | 63 | Low | 71.2 | Confident | 2 Ų | 2 | 73.9 Ų | 73.9 | 1% | 0.01 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.9 | -38.9 | -175.2 | 177.2 | 172.6 | 50 | 0 | 0 | 112 | E948 L952 C975 C976 C981 L982 L983 T1029 | E948-M979 WeakPolarHBondContact OE2-CA 3.2Å; L952-M979 HydrophobicContact CD1-CE 4.12Å; L952-M979 HydrophobicContact CD1-SD 4.33Å; C975-M979 WeakPolarHBondContact O-CB 3.12Å; C975-M979 PolarHBondContact O-N 3.14Å; C976-M979 HydrophobicContact CB-CE 4.5Å; M979-C981 PolarHBondContact O-N 3.34Å; M979-L982 CarbonylContact O-C 3.59Å; M979-L982 PolarHBondContact O-N 3.41Å; M979-L983 HydrophobicContact CG-CD1 3.65Å; M979-L983 HydrophobicContact CG-CD2 4.13Å; M979-L983 HydrophobicContact CG-CG 3.6Å; M979-L983 WeakPolarHBondContact O-CB 3.23Å; M979-L983 VanDerWaalsContact O-CG 3.28Å; M979-L983 WeakPolarHBondContact O-CG 3.48Å; M979-L983 PolarHBondContact O-N 2.92Å; M979-L983 HydrophobicContact SD-CD1 4.29Å; M979-T1029 HydrophobicContact CE-CG2 3.57Å; M979-T1029 HydrophobicContact SD-CG2 4.22Å |
| 980 | L | 64.7 | Low | 70.7 | Confident | 102 Ų | 102 | 71.4 Ų | 71.4 | 53% | 0.534 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -54.3 | -37.7 | 175.3 | -86.2 | 164.9 | 0 | 0 | 0 | 112.9 | C976 S978 Q984 | C976-L980 VanDerWaalsContact O-CB 3.26Å; C976-L980 WeakPolarHBondContact O-CB 3.21Å; C976-L980 WeakPolarHBondContact O-CD1 3.22Å; C976-L980 WeakPolarHBondContact O-CG 3.11Å; C976-L980 PolarHBondContact O-N 3.37Å; S978-L980 PolarHBondContact O-N 3Å; L980-Q984 PolarHBondContact O-N 2.98Å |
| 981 | C | 64.6 | Low | 70.5 | Confident | 79 Ų | 79 | 73 Ų | 73 | 53% | 0.534 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.6 | -23.6 | 179.4 | -167.6 | 0 | 0 | 0 | 0 | 113.4 | S978 M979 | S978-C981 PolarHBondContact O-N 2.94Å; M979-C981 PolarHBondContact O-N 3.34Å |
| 982 | L | 66 | Low | 70.4 | Confident | 51 Ų | 51 | 71.9 Ų | 71.9 | 27% | 0.267 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -88.1 | -42.4 | 171.8 | -83.4 | 117.6 | 0 | 0 | 0 | 112 | E948 M979 Q984 K985 T986 | E948-L982 HydrophobicContact CG-CB 4.27Å; M979-L982 CarbonylContact O-C 3.59Å; M979-L982 PolarHBondContact O-N 3.41Å; L982-Q984 VanDerWaalsContact C-N 3.25Å; L982-Q984 PolarHBondContact O-N 3.37Å; L982-K985 PolarHBondContact O-N 3.48Å; L982-T986 PolarHBondContact O-N 3.35Å; L982-T986 PolarHBondContact O-OG1 3.34Å; L982-T986 VanDerWaalsContact O-OG1 3.08Å |
| 983 | L | 67.6 | Low | 70.4 | Confident | 34 Ų | 34 | 71.3 Ų | 71.3 | 18% | 0.178 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -54 | -39.9 | 177.9 | -72.2 | 176.6 | 0 | 0 | 0 | 112 | M979 N987 W1022 L1025 | M979-L983 HydrophobicContact CG-CD1 3.65Å; M979-L983 HydrophobicContact CG-CD2 4.13Å; M979-L983 HydrophobicContact CG-CG 3.6Å; M979-L983 WeakPolarHBondContact O-CB 3.23Å; M979-L983 VanDerWaalsContact O-CG 3.28Å; M979-L983 WeakPolarHBondContact O-CG 3.48Å; M979-L983 PolarHBondContact O-N 2.92Å; M979-L983 HydrophobicContact SD-CD1 4.29Å; L983-N987 WeakPolarHBondContact O-CB 3.42Å; L983-N987 PolarHBondContact O-N 3.04Å; L983-W1022 HydrophobicContact CB-CH2 4.06Å; L983-W1022 HydrophobicContact CD2-CH2 3.45Å; L983-W1022 VanDerWaalsContact CD2-CH2 3.45Å; L983-W1022 HydrophobicContact CD2-CZ3 3.54Å; L983-W1022 HydrophobicContact CG-CH2 4.34Å; L983-W1022 WeakPolarHBondContact O-CH2 3.41Å; L983-L1025 HydrophobicContact CD2-CD2 4.17Å |
| 984 | Q | 68.7 | Low | 70.4 | Confident | 124 Ų | 124 | 65.6 Ų | 65.6 | 58% | 0.579 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59 | -50.3 | 174.2 | -74.9 | -166.5 | -107.5 | 0 | 0 | 112 | L980 L982 T986 N987 E988 | L980-Q984 PolarHBondContact O-N 2.98Å; L982-Q984 VanDerWaalsContact C-N 3.25Å; L982-Q984 PolarHBondContact O-N 3.37Å; Q984-T986 PolarHBondContact O-N 2.9Å; Q984-N987 PolarHBondContact O-N 3.36Å; Q984-E988 WeakPolarHBondContact O-CB 3.48Å; Q984-E988 VanDerWaalsContact O-CG 3.29Å; Q984-E988 WeakPolarHBondContact O-CG 3.47Å; Q984-E988 PolarHBondContact O-N 3.14Å |
| 985 | K | 70.1 | Confident | 70.5 | Confident | 123 Ų | 123 | 63.2 Ų | 63.2 | 54% | 0.535 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.4 | -41.8 | 179.9 | -64.6 | -179.1 | 175.9 | -176.9 | 0 | 112.5 | L982 N987 S989 | L982-K985 PolarHBondContact O-N 3.48Å; K985-N987 VanDerWaalsContact C-N 3.35Å; K985-S989 VanDerWaalsContact O-CB 3.26Å; K985-S989 WeakPolarHBondContact O-CB 3.27Å; K985-S989 PolarHBondContact O-N 3.46Å; K985-S989 PolarHBondContact O-OG 3.42Å |
| 986 | T | 73.8 | Confident | 70.5 | Confident | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.006 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -67 | -37.7 | 177.2 | -51.8 | 0 | 0 | 0 | 0 | 110.8 | V941 I945 L982 Q984 T990 W1022 | V941-T986 HydrophobicContact CG1-CG2 4.08Å; I945-T986 HydrophobicContact CD1-CG2 4.35Å; I945-T986 HydrophobicContact CG1-CG2 3.73Å; L982-T986 PolarHBondContact O-N 3.35Å; L982-T986 PolarHBondContact O-OG1 3.34Å; L982-T986 VanDerWaalsContact O-OG1 3.08Å; Q984-T986 PolarHBondContact O-N 2.9Å; T986-T990 VanDerWaalsContact O-CB 3.29Å; T986-T990 WeakPolarHBondContact O-CB 3.47Å; T986-T990 PolarHBondContact O-N 3.29Å; T986-T990 PolarHBondContact O-OG1 3.12Å; T986-W1022 HydrophobicContact CG2-CD2 4.36Å; T986-W1022 HydrophobicContact CG2-CE3 3.49Å; T986-W1022 VanDerWaalsContact CG2-CE3 3.49Å; T986-W1022 HydrophobicContact CG2-CH2 4.26Å; T986-W1022 HydrophobicContact CG2-CZ3 3.43Å; T986-W1022 VanDerWaalsContact CG2-CZ3 3.43Å |
| 987 | N | 70.6 | Confident | 70.7 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 40% | 0.401 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.5 | -51.5 | 175.6 | -169.7 | 65.1 | 0 | 0 | 0 | 111.9 | L983 Q984 K985 S989 T990 L991 W1022 | L983-N987 WeakPolarHBondContact O-CB 3.42Å; L983-N987 PolarHBondContact O-N 3.04Å; Q984-N987 PolarHBondContact O-N 3.36Å; K985-N987 VanDerWaalsContact C-N 3.35Å; N987-S989 VanDerWaalsContact C-N 3.27Å; N987-S989 PolarHBondContact O-N 3.08Å; N987-T990 PolarHBondContact O-N 3.45Å; N987-L991 WeakPolarHBondContact O-CB 3.36Å; N987-L991 PolarHBondContact O-N 3.41Å; N987-W1022 HydrophobicContact CB-CH2 4.15Å; N987-W1022 HydrophobicContact CB-CZ2 3.53Å; N987-W1022 PolarHBondContact OD1-NE1 2.85Å |
| 988 | E | 72.5 | Confident | 70.9 | Confident | 113 Ų | 113 | 60.9 Ų | 60.9 | 53% | 0.528 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -54.8 | -44.4 | 176.5 | -73.4 | 160.9 | -170.3 | 0 | 0 | 110.9 | Q984 L991 A992 | Q984-E988 WeakPolarHBondContact O-CB 3.48Å; Q984-E988 VanDerWaalsContact O-CG 3.29Å; Q984-E988 WeakPolarHBondContact O-CG 3.47Å; Q984-E988 PolarHBondContact O-N 3.14Å; E988-L991 PolarHBondContact O-N 2.57Å; E988-A992 WeakPolarHBondContact O-CB 3.47Å; E988-A992 PolarHBondContact O-N 3.39Å |
| 989 | S | 74.3 | Confident | 71.1 | Confident | 24 Ų | 24 | 61.5 Ų | 61.5 | 17% | 0.168 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -73.5 | -32.3 | 179.5 | -53.5 | 0 | 0 | 0 | 0 | 113.6 | W944 K985 N987 L993 | W944-S989 WeakPolarHBondContact CZ3-OG 3.42Å; K985-S989 VanDerWaalsContact O-CB 3.26Å; K985-S989 WeakPolarHBondContact O-CB 3.27Å; K985-S989 PolarHBondContact O-N 3.46Å; K985-S989 PolarHBondContact O-OG 3.42Å; N987-S989 VanDerWaalsContact C-N 3.27Å; N987-S989 PolarHBondContact O-N 3.08Å; S989-L993 WeakPolarHBondContact O-CB 3.43Å; S989-L993 PolarHBondContact O-N 2.68Å |
| 990 | T | 74.6 | Confident | 71.5 | Confident | 7 Ų | 7 | 62 Ų | 62 | 4% | 0.043 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 172.8 | -56.7 | 0 | 0 | 0 | 0 | 111 | V941 T986 N987 L993 K994 V1018 I1019 W1022 | V941-T990 WeakPolarHBondContact CG1-OG1 3.47Å; T986-T990 VanDerWaalsContact O-CB 3.29Å; T986-T990 WeakPolarHBondContact O-CB 3.47Å; T986-T990 PolarHBondContact O-N 3.29Å; T986-T990 PolarHBondContact O-OG1 3.12Å; N987-T990 PolarHBondContact O-N 3.45Å; T990-L993 PolarHBondContact O-N 3.28Å; T990-K994 WeakPolarHBondContact O-CB 3.31Å; T990-K994 PolarHBondContact O-N 3.18Å; T990-V1018 HydrophobicContact CG2-CG1 4.32Å; T990-I1019 HydrophobicContact CG2-CG1 3.96Å; T990-W1022 HydrophobicContact CG2-CB 4.33Å; T990-W1022 HydrophobicContact CG2-CG 4.17Å |
| 991 | L | 72.8 | Confident | 71.6 | Confident | 93 Ų | 93 | 59.5 Ų | 59.5 | 49% | 0.487 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.5 | -45.5 | 173.7 | -156.2 | 85.8 | 0 | 0 | 0 | 110.8 | N987 E988 L993 K994 Q995 | N987-L991 WeakPolarHBondContact O-CB 3.36Å; N987-L991 PolarHBondContact O-N 3.41Å; E988-L991 PolarHBondContact O-N 2.57Å; L991-L993 PolarHBondContact O-N 3.45Å; L991-K994 PolarHBondContact O-N 3.01Å; L991-Q995 WeakPolarHBondContact O-CB 3.37Å; L991-Q995 WeakPolarHBondContact O-CG 3.48Å; L991-Q995 PolarHBondContact O-N 3.2Å |
| 992 | A | 76.6 | Confident | 71.4 | Confident | 41 Ų | 41 | 60.4 Ų | 60.4 | 34% | 0.339 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L937 E988 Q995 K996 | L937-A992 HydrophobicContact CD2-CB 4.44Å; E988-A992 WeakPolarHBondContact O-CB 3.47Å; E988-A992 PolarHBondContact O-N 3.39Å; A992-Q995 PolarHBondContact O-N 3.09Å; A992-K996 VanDerWaalsContact O-CB 3.26Å; A992-K996 WeakPolarHBondContact O-CB 3.45Å; A992-K996 PolarHBondContact O-N 2.97Å |
| 993 | L | 79.8 | Confident | 70.9 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.2 | -47.8 | 173.9 | -174.4 | 77.3 | 0 | 0 | 0 | 111.4 | L934 L937 A938 S989 T990 L991 K996 A997 V1018 | L934-L993 HydrophobicContact CD1-CD1 3.63Å; L934-L993 HydrophobicContact CD1-CG 4.29Å; L934-L993 HydrophobicContact CG-CD1 4Å; L937-L993 HydrophobicContact CB-CD1 4.02Å; L937-L993 HydrophobicContact CD2-CB 4.02Å; L937-L993 HydrophobicContact CD2-CD1 4Å; L937-L993 HydrophobicContact CG-CB 4.46Å; L937-L993 HydrophobicContact CG-CD1 4.04Å; A938-L993 HydrophobicContact CB-CD1 3.98Å; A938-L993 HydrophobicContact CB-CD2 4.25Å; S989-L993 WeakPolarHBondContact O-CB 3.43Å; S989-L993 PolarHBondContact O-N 2.68Å; T990-L993 PolarHBondContact O-N 3.28Å; L991-L993 PolarHBondContact O-N 3.45Å; L993-K996 PolarHBondContact O-N 3.48Å; L993-A997 WeakPolarHBondContact O-CB 3.06Å; L993-A997 PolarHBondContact O-N 3.25Å; L993-V1018 HydrophobicContact CD2-CB 3.67Å; L993-V1018 HydrophobicContact CD2-CG1 3.72Å; L993-V1018 HydrophobicContact CD2-CG2 3.75Å |
| 994 | K | 74.9 | Confident | 70.1 | Confident | 77 Ų | 77 | 69 Ų | 69 | 34% | 0.335 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 179.2 | -172.9 | -179.3 | 179.5 | -74.4 | 0 | 111.6 | T990 L991 K996 A997 E998 V1015 I1019 | T990-K994 WeakPolarHBondContact O-CB 3.31Å; T990-K994 PolarHBondContact O-N 3.18Å; L991-K994 PolarHBondContact O-N 3.01Å; K994-K996 PolarHBondContact O-N 3.1Å; K994-A997 PolarHBondContact O-N 3.26Å; K994-E998 IonicContact NZ-OE1 2.69Å; K994-E998 PolarHBondContact NZ-OE1 3.26Å; K994-E998 IonicContact NZ-OE2 3.63Å; K994-E998 PolarHBondContact NZ-OE2 3.5Å; K994-E998 WeakPolarHBondContact O-CB 3.45Å; K994-E998 WeakPolarHBondContact O-CG 3.32Å; K994-E998 PolarHBondContact O-N 3.3Å; K994-V1015 HydrophobicContact CG-CG1 4.47Å; K994-I1019 HydrophobicContact CB-CD1 4.23Å; K994-I1019 HydrophobicContact CD-CD1 3.86Å; K994-I1019 HydrophobicContact CG-CD1 4.07Å |
| 995 | Q | 74.5 | Confident | 69.3 | Low | 117 Ų | 117 | 68.9 Ų | 68.9 | 55% | 0.547 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -61.5 | -43.2 | 178 | -73.7 | 173.8 | -20.8 | 0 | 0 | 112 | L991 A992 A997 E998 A999 | L991-Q995 WeakPolarHBondContact O-CB 3.37Å; L991-Q995 WeakPolarHBondContact O-CG 3.48Å; L991-Q995 PolarHBondContact O-N 3.2Å; A992-Q995 PolarHBondContact O-N 3.09Å; Q995-A997 VanDerWaalsContact C-N 3.34Å; Q995-A997 PolarHBondContact O-N 3.26Å; Q995-E998 PolarHBondContact O-N 2.95Å; Q995-A999 WeakPolarHBondContact O-CB 3.46Å; Q995-A999 PolarHBondContact O-N 3.14Å |
| 996 | K | 73.2 | Confident | 68.7 | Low | 73 Ų | 73 | 64 Ų | 64 | 32% | 0.317 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -64.4 | -38.9 | 178 | -169.9 | 163 | -174 | 161.3 | 0 | 112 | L934 A992 L993 K994 M1000 | L934-K996 HydrophobicContact CD1-CB 4.17Å; L934-K996 HydrophobicContact CD1-CG 4.25Å; A992-K996 VanDerWaalsContact O-CB 3.26Å; A992-K996 WeakPolarHBondContact O-CB 3.45Å; A992-K996 PolarHBondContact O-N 2.97Å; L993-K996 PolarHBondContact O-N 3.48Å; K994-K996 PolarHBondContact O-N 3.1Å; K996-M1000 WeakPolarHBondContact O-CG 3.44Å; K996-M1000 PolarHBondContact O-N 2.94Å |
| 997 | A | 73.3 | Confident | 68.2 | Low | 2 Ų | 2 | 69.6 Ų | 69.6 | 2% | 0.017 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -71.9 | -39.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | L934 L993 K994 Q995 A999 M1000 L1001 V1011 V1015 | L934-A997 HydrophobicContact CD1-CB 3.93Å; L934-A997 HydrophobicContact CD2-CB 4.25Å; L993-A997 WeakPolarHBondContact O-CB 3.06Å; L993-A997 PolarHBondContact O-N 3.25Å; K994-A997 PolarHBondContact O-N 3.26Å; Q995-A997 VanDerWaalsContact C-N 3.34Å; Q995-A997 PolarHBondContact O-N 3.26Å; A997-A999 VanDerWaalsContact C-N 3.3Å; A997-A999 PolarHBondContact O-N 3.07Å; A997-M1000 WeakPolarHBondContact O-CB 3.45Å; A997-M1000 PolarHBondContact O-N 2.95Å; A997-L1001 WeakPolarHBondContact O-CB 3.49Å; A997-L1001 VanDerWaalsContact O-CG 3.25Å; A997-L1001 WeakPolarHBondContact O-CG 3.37Å; A997-L1001 PolarHBondContact O-N 3.13Å; A997-V1011 HydrophobicContact CB-CG1 3.68Å; A997-V1015 HydrophobicContact CB-CG2 3.21Å |
| 998 | E | 70.2 | Confident | 68 | Low | 99 Ų | 99 | 68.1 Ų | 68.1 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.6 | -36.1 | 175.2 | -74.7 | 175.7 | 143.3 | 0 | 0 | 111.2 | K994 Q995 L1001 S1002 | K994-E998 IonicContact NZ-OE1 2.69Å; K994-E998 PolarHBondContact NZ-OE1 3.26Å; K994-E998 IonicContact NZ-OE2 3.63Å; K994-E998 PolarHBondContact NZ-OE2 3.5Å; K994-E998 WeakPolarHBondContact O-CB 3.45Å; K994-E998 WeakPolarHBondContact O-CG 3.32Å; K994-E998 PolarHBondContact O-N 3.3Å; Q995-E998 PolarHBondContact O-N 2.95Å; E998-L1001 PolarHBondContact O-N 3.39Å; E998-S1002 PolarHBondContact O-N 3.24Å; E998-S1002 VanDerWaalsContact O-N 3.09Å |
| 999 | A | 67.8 | Low | 67.9 | Low | 54 Ų | 54 | 68.5 Ų | 68.5 | 45% | 0.446 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.1 | -47.7 | 169 | 0 | 0 | 0 | 0 | 0 | 112 | Q995 A997 L1001 S1002 K1003 | Q995-A999 WeakPolarHBondContact O-CB 3.46Å; Q995-A999 PolarHBondContact O-N 3.14Å; A997-A999 VanDerWaalsContact C-N 3.3Å; A997-A999 PolarHBondContact O-N 3.07Å; A999-L1001 VanDerWaalsContact C-N 3.34Å; A999-L1001 PolarHBondContact O-N 3.39Å; A999-S1002 PolarHBondContact O-N 3.13Å; A999-S1002 VanDerWaalsContact O-N 3.14Å; A999-S1002 PolarHBondContact O-OG 3.12Å; A999-K1003 PolarHBondContact O-N 3.32Å |
| 1000 | M | 70.5 | Confident | 67.7 | Low | 13 Ų | 13 | 69.6 Ų | 69.6 | 6% | 0.064 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -58.2 | -43.3 | 174.5 | -75.9 | -179.2 | 72.6 | 0 | 0 | 112.8 | L931 L934 K996 A997 S1002 K1003 C1006 V1011 | L931-M1000 HydrophobicContact CB-CE 4.29Å; L931-M1000 HydrophobicContact CD1-CE 4.37Å; L934-M1000 HydrophobicContact CB-SD 4.13Å; L934-M1000 HydrophobicContact CD2-SD 4.07Å; L934-M1000 HydrophobicContact CG-SD 4.49Å; K996-M1000 WeakPolarHBondContact O-CG 3.44Å; K996-M1000 PolarHBondContact O-N 2.94Å; A997-M1000 WeakPolarHBondContact O-CB 3.45Å; A997-M1000 PolarHBondContact O-N 2.95Å; M1000-S1002 PolarHBondContact O-N 3.24Å; M1000-K1003 PolarHBondContact O-N 3.42Å; M1000-C1006 HydrophobicContact CE-CB 4.33Å; M1000-C1006 PolarHBondContact O-SG 3.42Å; M1000-V1011 HydrophobicContact CB-CG1 4.28Å; M1000-V1011 HydrophobicContact CE-CG2 3.47Å; M1000-V1011 VanDerWaalsContact CE-CG2 3.47Å; M1000-V1011 HydrophobicContact SD-CG2 4.17Å |
| 1001 | L | 66.8 | Low | 67.5 | Low | 49 Ų | 49 | 69.2 Ų | 69.2 | 26% | 0.257 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -70.6 | -15.1 | 179.2 | -71.3 | 173.3 | 0 | 0 | 0 | 113.5 | A997 E998 A999 V1008 V1011 | A997-L1001 WeakPolarHBondContact O-CB 3.49Å; A997-L1001 VanDerWaalsContact O-CG 3.25Å; A997-L1001 WeakPolarHBondContact O-CG 3.37Å; A997-L1001 PolarHBondContact O-N 3.13Å; E998-L1001 PolarHBondContact O-N 3.39Å; A999-L1001 VanDerWaalsContact C-N 3.34Å; A999-L1001 PolarHBondContact O-N 3.39Å; L1001-V1008 HydrophobicContact CD2-CB 3.94Å; L1001-V1008 HydrophobicContact CD2-CG1 3.82Å; L1001-V1008 HydrophobicContact CD2-CG2 3.85Å; L1001-V1011 HydrophobicContact CD1-CG1 4.3Å; L1001-V1011 HydrophobicContact CD2-CB 4.33Å; L1001-V1011 HydrophobicContact CD2-CG1 4.13Å; L1001-V1011 HydrophobicContact CG-CG1 3.87Å |
| 1002 | S | 61.4 | Low | 67.6 | Low | 97 Ų | 97 | 70.3 Ų | 70.3 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -87.3 | -18.4 | 174.8 | 74.3 | 0 | 0 | 0 | 0 | 113.7 | E998 A999 M1000 | E998-S1002 PolarHBondContact O-N 3.24Å; E998-S1002 VanDerWaalsContact O-N 3.09Å; A999-S1002 PolarHBondContact O-N 3.13Å; A999-S1002 VanDerWaalsContact O-N 3.14Å; A999-S1002 PolarHBondContact O-OG 3.12Å; M1000-S1002 PolarHBondContact O-N 3.24Å |
| 1003 | K | 55.6 | Low | 67.5 | Low | 116 Ų | 116 | 75 Ų | 75 | 50% | 0.504 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -91.6 | 119.8 | 167.3 | -62.6 | -162 | 177.8 | -161.8 | 0 | 108.1 | E926 A999 M1000 H1005 | E926-K1003 IonicContact OE1-NZ 2.7Å; E926-K1003 PolarHBondContact OE1-NZ 3.34Å; E926-K1003 WeakPolarHBondContact OE2-CD 3.49Å; E926-K1003 WeakPolarHBondContact OE2-CE 3.36Å; E926-K1003 IonicContact OE2-NZ 3.22Å; E926-K1003 PolarHBondContact OE2-NZ 3.03Å; A999-K1003 PolarHBondContact O-N 3.32Å; M1000-K1003 PolarHBondContact O-N 3.42Å; K1003-H1005 PolarHBondContact O-N 3.11Å |
| 1004 | D | 49.4 | Very low | 67.2 | Low | 149 Ų | 149 | 76.7 Ų | 76.7 | 80% | 0.797 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -75.3 | 26 | -166.3 | -143.1 | 13.8 | 0 | 0 | 0 | 114.5 | ||
| 1005 | H | 52.1 | Low | 67.4 | Low | 122 Ų | 122 | 73.7 Ų | 73.7 | 57% | 0.565 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -134.1 | 41.1 | -169.4 | -62.1 | -16.8 | 0 | 0 | 0 | 111.7 | Q927 K1003 | Q927-H1005 WeakPolarHBondContact CB-O 3.25Å; Q927-H1005 VanDerWaalsContact CD-O 3.3Å; Q927-H1005 VanDerWaalsContact CG-O 3.25Å; Q927-H1005 WeakPolarHBondContact CG-O 3.48Å; K1003-H1005 PolarHBondContact O-N 3.11Å |
| 1006 | C | 58.5 | Low | 67.4 | Low | 20 Ų | 20 | 72.9 Ų | 72.9 | 14% | 0.135 | 37% | 0.373 | C | S | . | . | S | Bend | trans | -130.3 | 159.7 | 173.9 | 83.5 | 0 | 0 | 0 | 0 | 112.2 | M1000 V1008 | M1000-C1006 HydrophobicContact CE-CB 4.33Å; M1000-C1006 PolarHBondContact O-SG 3.42Å; C1006-V1008 PolarHBondContact O-N 2.78Å |
| 1007 | E | 63.1 | Low | 67.5 | Low | 119 Ų | 119 | 73.8 Ų | 73.8 | 56% | 0.556 | 38% | 0.382 | S | S | * | . | trans | -72.6 | 82.5 | 166.6 | -86.5 | -145.4 | 113.6 | 0 | 0 | 110.3 | N1009 V1010 V1011 | E1007-N1009 PolarHBondContact O-N 2.86Å; E1007-V1010 HydrophobicContact CB-CB 4.26Å; E1007-V1010 HydrophobicContact CB-CG2 4.08Å; E1007-V1010 PolarHBondContact O-N 3.13Å; E1007-V1010 WeakPolarHBondContact OE2-CG2 3.41Å; E1007-V1011 PolarHBondContact O-N 3Å | ||
| 1008 | V | 66 | Low | 67.8 | Low | 45 Ų | 45 | 73.8 Ų | 73.8 | 27% | 0.273 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -43.1 | -38.8 | 179.5 | 164.1 | 0 | 0 | 0 | 0 | 113.1 | L1001 C1006 R1012 | L1001-V1008 HydrophobicContact CD2-CB 3.94Å; L1001-V1008 HydrophobicContact CD2-CG1 3.82Å; L1001-V1008 HydrophobicContact CD2-CG2 3.85Å; C1006-V1008 PolarHBondContact O-N 2.78Å; V1008-R1012 WeakPolarHBondContact O-CB 3.32Å; V1008-R1012 PolarHBondContact O-N 3.49Å; V1008-R1012 VanDerWaalsContact O-N 3.13Å |
| 1009 | N | 70 | Confident | 68.1 | Low | 120 Ų | 120 | 70.2 Ų | 70.2 | 64% | 0.642 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -74.1 | -35.2 | -177.4 | -65.9 | -33 | 0 | 0 | 0 | 113.5 | E1007 K1013 | E1007-N1009 PolarHBondContact O-N 2.86Å; N1009-K1013 VanDerWaalsContact O-CB 3.25Å; N1009-K1013 WeakPolarHBondContact O-CB 3.47Å; N1009-K1013 PolarHBondContact O-N 2.98Å |
| 1010 | V | 71.2 | Confident | 68.4 | Low | 47 Ų | 47 | 69.6 Ų | 69.6 | 29% | 0.285 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -73.9 | -47.8 | 178.9 | 178.4 | 0 | 0 | 0 | 0 | 110 | L931 E1007 R1012 K1013 M1014 | L931-V1010 HydrophobicContact CD1-CB 4.41Å; L931-V1010 HydrophobicContact CD1-CG1 4.05Å; E1007-V1010 HydrophobicContact CB-CB 4.26Å; E1007-V1010 HydrophobicContact CB-CG2 4.08Å; E1007-V1010 PolarHBondContact O-N 3.13Å; E1007-V1010 WeakPolarHBondContact OE2-CG2 3.41Å; V1010-R1012 PolarHBondContact O-N 2.78Å; V1010-K1013 PolarHBondContact O-N 3.41Å; V1010-M1014 HydrophobicContact CG1-CE 3.97Å; V1010-M1014 PolarHBondContact O-N 3.04Å; V1010-M1014 VanDerWaalsContact O-N 3.12Å |
| 1011 | V | 69.7 | Low | 68.8 | Low | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -56.2 | -52.7 | 178 | 171.9 | 0 | 0 | 0 | 0 | 111.1 | L931 L934 A997 M1000 L1001 E1007 K1013 M1014 V1015 | L931-V1011 HydrophobicContact CD1-CG2 4.01Å; L934-V1011 HydrophobicContact CD2-CB 4.21Å; L934-V1011 HydrophobicContact CD2-CG1 3.83Å; L934-V1011 HydrophobicContact CD2-CG2 4.22Å; A997-V1011 HydrophobicContact CB-CG1 3.68Å; M1000-V1011 HydrophobicContact CB-CG1 4.28Å; M1000-V1011 HydrophobicContact CE-CG2 3.47Å; M1000-V1011 VanDerWaalsContact CE-CG2 3.47Å; M1000-V1011 HydrophobicContact SD-CG2 4.17Å; L1001-V1011 HydrophobicContact CD1-CG1 4.3Å; L1001-V1011 HydrophobicContact CD2-CB 4.33Å; L1001-V1011 HydrophobicContact CD2-CG1 4.13Å; L1001-V1011 HydrophobicContact CG-CG1 3.87Å; E1007-V1011 PolarHBondContact O-N 3Å; V1011-K1013 PolarHBondContact O-N 2.89Å; V1011-M1014 PolarHBondContact O-N 2.89Å; V1011-V1015 VanDerWaalsContact O-CG2 3.29Å; V1011-V1015 WeakPolarHBondContact O-CG2 3.37Å; V1011-V1015 PolarHBondContact O-N 3.28Å |
| 1012 | R | 74.7 | Confident | 69.4 | Low | 116 Ų | 116 | 72.6 Ų | 72.6 | 44% | 0.438 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.2 | -44.3 | -178.5 | -169.6 | -179.3 | -66 | 134.4 | -3.2 | 111.7 | V1008 V1010 M1014 V1015 D1016 | V1008-R1012 WeakPolarHBondContact O-CB 3.32Å; V1008-R1012 PolarHBondContact O-N 3.49Å; V1008-R1012 VanDerWaalsContact O-N 3.13Å; V1010-R1012 PolarHBondContact O-N 2.78Å; R1012-M1014 PolarHBondContact O-N 2.83Å; R1012-V1015 PolarHBondContact O-N 3.08Å; R1012-D1016 PolarHBondContact O-N 2.73Å |
| 1013 | K | 75.2 | Confident | 70 | Confident | 138 Ų | 138 | 74.6 Ų | 74.6 | 60% | 0.6 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -62.5 | -43.1 | -179.2 | -173.1 | 177.6 | 178.9 | -175.3 | 0 | 113.1 | N1009 V1010 V1011 V1015 D1016 D1017 | N1009-K1013 VanDerWaalsContact O-CB 3.25Å; N1009-K1013 WeakPolarHBondContact O-CB 3.47Å; N1009-K1013 PolarHBondContact O-N 2.98Å; V1010-K1013 PolarHBondContact O-N 3.41Å; V1011-K1013 PolarHBondContact O-N 2.89Å; K1013-V1015 VanDerWaalsContact C-N 3.29Å; K1013-V1015 PolarHBondContact O-N 3.4Å; K1013-D1016 PolarHBondContact O-N 2.92Å; K1013-D1017 WeakPolarHBondContact O-CB 3.47Å; K1013-D1017 PolarHBondContact O-N 2.73Å |
| 1014 | M | 74.1 | Confident | 71 | Confident | 38 Ų | 38 | 74.6 Ų | 74.6 | 19% | 0.187 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -60 | -40 | 176.1 | -73.1 | -174.3 | -179.6 | 0 | 0 | 112.2 | Q935 V1010 V1011 R1012 V1018 | Q935-M1014 HydrophobicContact CB-CE 3.86Å; Q935-M1014 HydrophobicContact CB-SD 3.97Å; Q935-M1014 HydrophobicContact CG-CE 3.63Å; Q935-M1014 HydrophobicContact CG-SD 4.21Å; V1010-M1014 HydrophobicContact CG1-CE 3.97Å; V1010-M1014 PolarHBondContact O-N 3.04Å; V1010-M1014 VanDerWaalsContact O-N 3.12Å; V1011-M1014 PolarHBondContact O-N 2.89Å; R1012-M1014 PolarHBondContact O-N 2.83Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.49Å; M1014-V1018 PolarHBondContact O-N 3.21Å; M1014-V1018 VanDerWaalsContact O-N 3.15Å |
| 1015 | V | 77.7 | Confident | 72.4 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 9% | 0.085 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -69.7 | -45.1 | -179.9 | 175.1 | 0 | 0 | 0 | 0 | 111 | K994 A997 V1011 R1012 K1013 D1017 V1018 I1019 | K994-V1015 HydrophobicContact CG-CG1 4.47Å; A997-V1015 HydrophobicContact CB-CG2 3.21Å; V1011-V1015 VanDerWaalsContact O-CG2 3.29Å; V1011-V1015 WeakPolarHBondContact O-CG2 3.37Å; V1011-V1015 PolarHBondContact O-N 3.28Å; R1012-V1015 PolarHBondContact O-N 3.08Å; K1013-V1015 VanDerWaalsContact C-N 3.29Å; K1013-V1015 PolarHBondContact O-N 3.4Å; V1015-D1017 PolarHBondContact O-N 3.22Å; V1015-V1018 PolarHBondContact O-N 3.28Å; V1015-I1019 HydrophobicContact CG1-CD1 3.52Å; V1015-I1019 HydrophobicContact CG1-CG1 4.24Å; V1015-I1019 WeakPolarHBondContact O-CB 3.44Å; V1015-I1019 VanDerWaalsContact O-CG1 3.31Å; V1015-I1019 WeakPolarHBondContact O-CG1 3.24Å; V1015-I1019 PolarHBondContact O-N 2.93Å |
| 1016 | D | 75.1 | Confident | 73.4 | Confident | 99 Ų | 99 | 65.4 Ų | 65.4 | 53% | 0.529 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 177.6 | -70.6 | -30.2 | 0 | 0 | 0 | 111.7 | R1012 K1013 G1020 | R1012-D1016 PolarHBondContact O-N 2.73Å; K1013-D1016 PolarHBondContact O-N 2.92Å; D1016-G1020 WeakPolarHBondContact O-CA 3.19Å; D1016-G1020 PolarHBondContact O-N 3.49Å |
| 1017 | D | 74.8 | Confident | 74 | Confident | 93 Ų | 93 | 66.9 Ų | 66.9 | 50% | 0.497 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.2 | -83.6 | -32.2 | 0 | 0 | 0 | 112.1 | K1013 V1015 R1021 | K1013-D1017 WeakPolarHBondContact O-CB 3.47Å; K1013-D1017 PolarHBondContact O-N 2.73Å; V1015-D1017 PolarHBondContact O-N 3.22Å; D1017-R1021 WeakPolarHBondContact O-CG 3.44Å; D1017-R1021 PolarHBondContact O-N 2.87Å |
| 1018 | V | 80.7 | Confident | 74.6 | Confident | 2 Ų | 2 | 62.8 Ų | 62.8 | 1% | 0.012 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -71.4 | -47.6 | 179.5 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | A938 V941 V942 I945 T990 L993 M1014 V1015 G1020 R1021 W1022 | A938-V1018 HydrophobicContact CB-CG2 4.03Å; V941-V1018 HydrophobicContact CB-CG1 4.2Å; V941-V1018 HydrophobicContact CG1-CG1 3.54Å; V942-V1018 HydrophobicContact CG2-CG2 3.92Å; I945-V1018 HydrophobicContact CD1-CG1 4.44Å; T990-V1018 HydrophobicContact CG2-CG1 4.32Å; L993-V1018 HydrophobicContact CD2-CB 3.67Å; L993-V1018 HydrophobicContact CD2-CG1 3.72Å; L993-V1018 HydrophobicContact CD2-CG2 3.75Å; M1014-V1018 WeakPolarHBondContact O-CG2 3.49Å; M1014-V1018 PolarHBondContact O-N 3.21Å; M1014-V1018 VanDerWaalsContact O-N 3.15Å; V1015-V1018 PolarHBondContact O-N 3.28Å; V1018-G1020 VanDerWaalsContact C-N 3.29Å; V1018-G1020 PolarHBondContact O-N 3.04Å; V1018-R1021 PolarHBondContact O-N 3.31Å; V1018-W1022 WeakPolarHBondContact O-CB 3.21Å; V1018-W1022 PolarHBondContact O-N 3.01Å |
| 1019 | I | 76.4 | Confident | 75 | Confident | 24 Ų | 24 | 61.4 Ų | 61.4 | 12% | 0.123 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -63.8 | -37.4 | 178.6 | -68 | 177.3 | 0 | 0 | 0 | 110.7 | T990 K994 V1015 W1022 R1023 | T990-I1019 HydrophobicContact CG2-CG1 3.96Å; K994-I1019 HydrophobicContact CB-CD1 4.23Å; K994-I1019 HydrophobicContact CD-CD1 3.86Å; K994-I1019 HydrophobicContact CG-CD1 4.07Å; V1015-I1019 HydrophobicContact CG1-CD1 3.52Å; V1015-I1019 HydrophobicContact CG1-CG1 4.24Å; V1015-I1019 WeakPolarHBondContact O-CB 3.44Å; V1015-I1019 VanDerWaalsContact O-CG1 3.31Å; V1015-I1019 WeakPolarHBondContact O-CG1 3.24Å; V1015-I1019 PolarHBondContact O-N 2.93Å; I1019-W1022 PolarHBondContact O-N 2.81Å; I1019-R1023 HydrophobicContact CG2-CG 4.36Å; I1019-R1023 WeakPolarHBondContact O-CB 3.36Å; I1019-R1023 WeakPolarHBondContact O-CG 3.41Å; I1019-R1023 PolarHBondContact O-N 2.93Å |
| 1020 | G | 74.4 | Confident | 75.1 | Confident | 41 Ų | 41 | 58.8 Ų | 58.8 | 42% | 0.423 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59.9 | -45.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1016 V1018 R1024 | D1016-G1020 WeakPolarHBondContact O-CA 3.19Å; D1016-G1020 PolarHBondContact O-N 3.49Å; V1018-G1020 VanDerWaalsContact C-N 3.29Å; V1018-G1020 PolarHBondContact O-N 3.04Å; G1020-R1024 VanDerWaalsContact O-CB 3.31Å; G1020-R1024 WeakPolarHBondContact O-CB 3.04Å; G1020-R1024 PolarHBondContact O-N 3.33Å |
| 1021 | R | 78.8 | Confident | 75.4 | Confident | 105 Ų | 105 | 58.1 Ų | 58.1 | 40% | 0.396 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 174.3 | -68 | -175.4 | -168.4 | -148.3 | 5.6 | 112.7 | I945 N946 D1017 V1018 R1024 L1025 | I945-R1021 HydrophobicContact CD1-CB 4.15Å; I945-R1021 HydrophobicContact CG2-CB 4.1Å; N946-R1021 PolarHBondContact OD1-NH1 3.24Å; D1017-R1021 WeakPolarHBondContact O-CG 3.44Å; D1017-R1021 PolarHBondContact O-N 2.87Å; V1018-R1021 PolarHBondContact O-N 3.31Å; R1021-R1024 WeakPolarHBondContact O-CB 3.42Å; R1021-R1024 PolarHBondContact O-N 2.83Å; R1021-L1025 PolarHBondContact O-N 3.3Å |
| 1022 | W | 77.7 | Confident | 76.1 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 8% | 0.076 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.1 | -50.3 | 179.2 | 177.4 | -124.1 | 0 | 0 | 0 | 112.3 | I945 L983 T986 N987 T990 V1018 I1019 R1024 L1025 I1026 | I945-W1022 HydrophobicContact CD1-CB 4.14Å; I945-W1022 HydrophobicContact CG1-CE3 4.37Å; L983-W1022 HydrophobicContact CB-CH2 4.06Å; L983-W1022 HydrophobicContact CD2-CH2 3.45Å; L983-W1022 VanDerWaalsContact CD2-CH2 3.45Å; L983-W1022 HydrophobicContact CD2-CZ3 3.54Å; L983-W1022 HydrophobicContact CG-CH2 4.34Å; L983-W1022 WeakPolarHBondContact O-CH2 3.41Å; T986-W1022 HydrophobicContact CG2-CD2 4.36Å; T986-W1022 HydrophobicContact CG2-CE3 3.49Å; T986-W1022 VanDerWaalsContact CG2-CE3 3.49Å; T986-W1022 HydrophobicContact CG2-CH2 4.26Å; T986-W1022 HydrophobicContact CG2-CZ3 3.43Å; T986-W1022 VanDerWaalsContact CG2-CZ3 3.43Å; N987-W1022 HydrophobicContact CB-CH2 4.15Å; N987-W1022 HydrophobicContact CB-CZ2 3.53Å; N987-W1022 PolarHBondContact OD1-NE1 2.85Å; T990-W1022 HydrophobicContact CG2-CB 4.33Å; T990-W1022 HydrophobicContact CG2-CG 4.17Å; V1018-W1022 WeakPolarHBondContact O-CB 3.21Å; V1018-W1022 PolarHBondContact O-N 3.01Å; I1019-W1022 PolarHBondContact O-N 2.81Å; W1022-R1024 VanDerWaalsContact C-N 3.32Å; W1022-R1024 PolarHBondContact O-N 3.02Å; W1022-L1025 HydrophobicContact CE3-CD2 4.34Å; W1022-L1025 HydrophobicContact CZ3-CD2 4.16Å; W1022-L1025 PolarHBondContact O-N 2.92Å; W1022-I1026 HydrophobicContact CD2-CD1 4.2Å; W1022-I1026 HydrophobicContact CZ2-CD1 3.78Å; W1022-I1026 HydrophobicContact CZ2-CG1 4.23Å; W1022-I1026 PolarHBondContact O-N 3.44Å; W1022-I1026 VanDerWaalsContact O-N 3.16Å |
| 1023 | R | 74.3 | Confident | 76.4 | Confident | 139 Ų | 139 | 57.3 Ų | 57.3 | 53% | 0.525 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.5 | -42.8 | 174.9 | -77.5 | 178.8 | 162.3 | 138.4 | 3.2 | 112.3 | I1019 L1025 I1026 A1027 E1680 | I1019-R1023 HydrophobicContact CG2-CG 4.36Å; I1019-R1023 WeakPolarHBondContact O-CB 3.36Å; I1019-R1023 WeakPolarHBondContact O-CG 3.41Å; I1019-R1023 PolarHBondContact O-N 2.93Å; R1023-L1025 PolarHBondContact O-N 2.86Å; R1023-I1026 PolarHBondContact O-N 2.78Å; R1023-A1027 WeakPolarHBondContact O-CB 3.16Å; R1023-A1027 PolarHBondContact O-N 3.09Å; R1023-E1680 WeakPolarHBondContact CD-OE1 3.48Å; R1023-E1680 IonicContact CZ-OE1 3.12Å; R1023-E1680 IonicContact NE-OE1 2.68Å; R1023-E1680 PolarHBondContact NE-OE1 3.06Å; R1023-E1680 IonicContact NH2-OE1 2.64Å |
| 1024 | R | 78.3 | Confident | 76.9 | Confident | 115 Ų | 115 | 54.1 Ų | 54.1 | 43% | 0.434 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -57.7 | -47 | 176.2 | 173.9 | -174 | 174.8 | 124 | 5.2 | 111.8 | E949 G1020 R1021 W1022 A1027 L1028 | E949-R1024 IonicContact OE1-NE 3.46Å; E949-R1024 PolarHBondContact OE1-NE 3.14Å; G1020-R1024 VanDerWaalsContact O-CB 3.31Å; G1020-R1024 WeakPolarHBondContact O-CB 3.04Å; G1020-R1024 PolarHBondContact O-N 3.33Å; R1021-R1024 WeakPolarHBondContact O-CB 3.42Å; R1021-R1024 PolarHBondContact O-N 2.83Å; W1022-R1024 VanDerWaalsContact C-N 3.32Å; W1022-R1024 PolarHBondContact O-N 3.02Å; R1024-A1027 PolarHBondContact O-N 3.32Å; R1024-L1028 HydrophobicContact CG-CD1 3.98Å; R1024-L1028 WeakPolarHBondContact O-CB 3.42Å; R1024-L1028 VanDerWaalsContact O-CG 3.26Å; R1024-L1028 WeakPolarHBondContact O-CG 3.38Å; R1024-L1028 PolarHBondContact O-N 2.88Å |
| 1025 | L | 78.5 | Confident | 77.5 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -60.4 | -46.2 | 177.8 | 177.1 | 63.6 | 0 | 0 | 0 | 111.7 | I945 E948 E949 L952 L983 R1021 W1022 R1023 A1027 L1028 T1029 | I945-L1025 HydrophobicContact CG2-CB 4.49Å; I945-L1025 HydrophobicContact CG2-CD2 4.28Å; E948-L1025 HydrophobicContact CB-CD1 4.18Å; E948-L1025 HydrophobicContact CB-CD2 3.72Å; E948-L1025 HydrophobicContact CG-CD2 4.46Å; E949-L1025 HydrophobicContact CG-CD1 4.04Å; L952-L1025 HydrophobicContact CD2-CD1 4.46Å; L983-L1025 HydrophobicContact CD2-CD2 4.17Å; R1021-L1025 PolarHBondContact O-N 3.3Å; W1022-L1025 HydrophobicContact CE3-CD2 4.34Å; W1022-L1025 HydrophobicContact CZ3-CD2 4.16Å; W1022-L1025 PolarHBondContact O-N 2.92Å; R1023-L1025 PolarHBondContact O-N 2.86Å; L1025-A1027 PolarHBondContact O-N 3.2Å; L1025-L1028 PolarHBondContact O-N 3.23Å; L1025-T1029 WeakPolarHBondContact O-CB 3.41Å; L1025-T1029 PolarHBondContact O-N 3.38Å; L1025-T1029 PolarHBondContact O-OG1 3.12Å |
| 1026 | I | 71.6 | Confident | 78 | Confident | 78 Ų | 78 | 51.7 Ų | 51.7 | 40% | 0.4 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.2 | -49 | 177.2 | -64.2 | 169.1 | 0 | 0 | 0 | 110.9 | W1022 R1023 L1028 T1029 D1030 | W1022-I1026 HydrophobicContact CD2-CD1 4.2Å; W1022-I1026 HydrophobicContact CZ2-CD1 3.78Å; W1022-I1026 HydrophobicContact CZ2-CG1 4.23Å; W1022-I1026 PolarHBondContact O-N 3.44Å; W1022-I1026 VanDerWaalsContact O-N 3.16Å; R1023-I1026 PolarHBondContact O-N 2.78Å; I1026-L1028 VanDerWaalsContact C-N 3.35Å; I1026-L1028 PolarHBondContact O-N 2.83Å; I1026-T1029 PolarHBondContact O-N 2.88Å; I1026-D1030 PolarHBondContact O-N 3.32Å |
| 1027 | A | 71.1 | Confident | 78.4 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.7 | -39.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | R1023 R1024 L1025 E1031 | R1023-A1027 WeakPolarHBondContact O-CB 3.16Å; R1023-A1027 PolarHBondContact O-N 3.09Å; R1024-A1027 PolarHBondContact O-N 3.32Å; L1025-A1027 PolarHBondContact O-N 3.2Å; A1027-E1031 WeakPolarHBondContact O-CB 3.46Å; A1027-E1031 WeakPolarHBondContact O-CG 3.34Å; A1027-E1031 PolarHBondContact O-N 2.89Å; A1027-E1031 VanDerWaalsContact O-N 3.09Å |
| 1028 | L | 76 | Confident | 78.9 | Confident | 33 Ų | 33 | 45.3 Ų | 45.3 | 17% | 0.173 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -42 | 174.2 | -71.4 | 170.8 | 0 | 0 | 0 | 111.8 | L952 R1024 L1025 I1026 R1032 Q1129 | L952-L1028 HydrophobicContact CD2-CB 3.78Å; R1024-L1028 HydrophobicContact CG-CD1 3.98Å; R1024-L1028 WeakPolarHBondContact O-CB 3.42Å; R1024-L1028 VanDerWaalsContact O-CG 3.26Å; R1024-L1028 WeakPolarHBondContact O-CG 3.38Å; R1024-L1028 PolarHBondContact O-N 2.88Å; L1025-L1028 PolarHBondContact O-N 3.23Å; I1026-L1028 VanDerWaalsContact C-N 3.35Å; I1026-L1028 PolarHBondContact O-N 2.83Å; L1028-R1032 WeakPolarHBondContact O-CB 3.35Å; L1028-R1032 PolarHBondContact O-N 2.91Å; L1028-R1032 VanDerWaalsContact O-N 3.09Å; L1028-Q1129 VanDerWaalsContact CD2-NE2 3.35Å |
| 1029 | T | 73.9 | Confident | 79.3 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 10% | 0.098 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 178.6 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | Y972 M979 L1025 I1026 R1032 H1033 | Y972-T1029 WeakPolarHBondContact OH-CG2 3.48Å; Y972-T1029 PolarHBondContact OH-O 3.01Å; M979-T1029 HydrophobicContact CE-CG2 3.57Å; M979-T1029 HydrophobicContact SD-CG2 4.22Å; L1025-T1029 WeakPolarHBondContact O-CB 3.41Å; L1025-T1029 PolarHBondContact O-N 3.38Å; L1025-T1029 PolarHBondContact O-OG1 3.12Å; I1026-T1029 PolarHBondContact O-N 2.88Å; T1029-R1032 PolarHBondContact O-N 3.22Å; T1029-H1033 PolarHBondContact O-N 3.3Å; T1029-H1033 VanDerWaalsContact O-N 3.13Å |
| 1030 | D | 73.8 | Confident | 79.9 | Confident | 64 Ų | 64 | 44.4 Ų | 44.4 | 34% | 0.342 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -68.8 | -45 | -179.8 | 169.8 | 43.8 | 0 | 0 | 0 | 112.5 | I1026 R1032 H1033 K1034 | I1026-D1030 PolarHBondContact O-N 3.32Å; D1030-R1032 PolarHBondContact O-N 2.86Å; D1030-H1033 WeakPolarHBondContact O-CB 3.46Å; D1030-H1033 PolarHBondContact O-N 3.33Å; D1030-H1033 VanDerWaalsContact O-N 3.1Å; D1030-K1034 WeakPolarHBondContact O-CG 3.43Å; D1030-K1034 PolarHBondContact O-N 3.33Å; D1030-K1034 WeakPolarHBondContact OD1-CE 3.28Å; D1030-K1034 IonicContact OD1-NZ 2.7Å; D1030-K1034 PolarHBondContact OD1-NZ 3.06Å; D1030-K1034 VanDerWaalsContact OD1-NZ 3.12Å; D1030-K1034 IonicContact OD2-NZ 3.16Å; D1030-K1034 PolarHBondContact OD2-NZ 3.3Å |
| 1031 | E | 77.1 | Confident | 80.5 | Confident | 34 Ų | 34 | 45 Ų | 45 | 16% | 0.159 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.4 | -33.4 | 174 | -70.8 | -67.1 | 125.1 | 0 | 0 | 112.1 | A1027 K1034 L1035 Y1122 R1125 | A1027-E1031 WeakPolarHBondContact O-CB 3.46Å; A1027-E1031 WeakPolarHBondContact O-CG 3.34Å; A1027-E1031 PolarHBondContact O-N 2.89Å; A1027-E1031 VanDerWaalsContact O-N 3.09Å; E1031-K1034 PolarHBondContact O-N 3.38Å; E1031-K1034 IonicContact OE1-NZ 2.69Å; E1031-L1035 WeakPolarHBondContact O-CB 3.36Å; E1031-L1035 PolarHBondContact O-N 3.07Å; E1031-Y1122 WeakPolarHBondContact OE2-CD1 3.26Å; E1031-R1125 IonicContact OE1-CZ 3.62Å; E1031-R1125 IonicContact OE1-NH1 3.81Å; E1031-R1125 PolarHBondContact OE1-NH1 2.72Å; E1031-R1125 VanDerWaalsContact OE2-CD 3.31Å; E1031-R1125 WeakPolarHBondContact OE2-CD 3.38Å; E1031-R1125 IonicContact OE2-CZ 3.95Å; E1031-R1125 IonicContact OE2-NE 2.9Å; E1031-R1125 IonicContact OE2-NH1 2.99Å; E1031-R1125 PolarHBondContact OE2-NH1 3.39Å |
| 1032 | R | 84.9 | Confident | 81.2 | Confident | 7 Ų | 7 | 40 Ų | 40 | 3% | 0.026 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.9 | -40.3 | 173.5 | -171.7 | 67.9 | -169 | 153.4 | 11.8 | 112.3 | T955 F956 A957 Y972 L1028 T1029 D1030 L1036 | T955-R1032 PolarHBondContact O-NE 3.04Å; T955-R1032 PolarHBondContact O-NH2 3.4Å; F956-R1032 PolarHBondContact O-NH1 3.24Å; A957-R1032 VanDerWaalsContact O-CZ 3.29Å; A957-R1032 PolarHBondContact O-NH1 3.13Å; A957-R1032 PolarHBondContact O-NH2 3.28Å; Y972-R1032 HydrophobicContact CD2-CB 4.36Å; Y972-R1032 HydrophobicContact CD2-CG 3.63Å; Y972-R1032 HydrophobicContact CE2-CB 3.84Å; Y972-R1032 HydrophobicContact CE2-CG 3.63Å; L1028-R1032 WeakPolarHBondContact O-CB 3.35Å; L1028-R1032 PolarHBondContact O-N 2.91Å; L1028-R1032 VanDerWaalsContact O-N 3.09Å; T1029-R1032 PolarHBondContact O-N 3.22Å; D1030-R1032 PolarHBondContact O-N 2.86Å; R1032-L1036 HydrophobicContact CG-CD1 4.29Å; R1032-L1036 WeakPolarHBondContact O-CG 3.31Å; R1032-L1036 PolarHBondContact O-N 3.06Å; R1032-L1036 VanDerWaalsContact O-N 3.15Å |
| 1033 | H | 81.4 | Confident | 81.8 | Confident | 91 Ų | 91 | 39.9 Ų | 39.9 | 42% | 0.421 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -61.2 | -45.3 | 174.4 | -175 | 52.6 | 0 | 0 | 0 | 112.1 | Y972 T1029 D1030 L1036 T1037 | Y972-H1033 HydrophobicContact CE1-CB 3.89Å; Y972-H1033 AromaticContact CE1-ND1 3.75Å; Y972-H1033 WeakPolarHBondContact OH-CB 3.5Å; T1029-H1033 PolarHBondContact O-N 3.3Å; T1029-H1033 VanDerWaalsContact O-N 3.13Å; D1030-H1033 WeakPolarHBondContact O-CB 3.46Å; D1030-H1033 PolarHBondContact O-N 3.33Å; D1030-H1033 VanDerWaalsContact O-N 3.1Å; H1033-L1036 PolarHBondContact O-N 3.07Å; H1033-T1037 PolarHBondContact CE1-OG1 2.77Å; H1033-T1037 WeakPolarHBondContact O-CB 3.17Å; H1033-T1037 PolarHBondContact O-N 3.16Å; H1033-T1037 PolarHBondContact O-OG1 3.44Å |
| 1034 | K | 85.1 | Confident | 82.4 | Confident | 71 Ų | 71 | 37.9 Ų | 37.9 | 31% | 0.309 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.2 | -42 | -179.2 | -72.1 | 163 | 171.3 | 166.6 | 0 | 112.3 | D1030 E1031 S1038 Y1122 | D1030-K1034 WeakPolarHBondContact O-CG 3.43Å; D1030-K1034 PolarHBondContact O-N 3.33Å; D1030-K1034 WeakPolarHBondContact OD1-CE 3.28Å; D1030-K1034 IonicContact OD1-NZ 2.7Å; D1030-K1034 PolarHBondContact OD1-NZ 3.06Å; D1030-K1034 VanDerWaalsContact OD1-NZ 3.12Å; D1030-K1034 IonicContact OD2-NZ 3.16Å; D1030-K1034 PolarHBondContact OD2-NZ 3.3Å; E1031-K1034 PolarHBondContact O-N 3.38Å; E1031-K1034 IonicContact OE1-NZ 2.69Å; K1034-S1038 WeakPolarHBondContact O-CB 3.49Å; K1034-S1038 PolarHBondContact O-N 3.5Å; K1034-S1038 PolarHBondContact O-OG 3.47Å; K1034-Y1122 HydrophobicContact CB-CD1 3.93Å; K1034-Y1122 HydrophobicContact CB-CD2 4.33Å; K1034-Y1122 HydrophobicContact CB-CE1 3.57Å; K1034-Y1122 HydrophobicContact CB-CE2 4Å; K1034-Y1122 HydrophobicContact CB-CG 4.32Å; K1034-Y1122 HydrophobicContact CD-CE1 3.94Å; K1034-Y1122 HydrophobicContact CG-CE1 4.27Å |
| 1035 | L | 87 | Confident | 82.8 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.01 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -60.7 | -50.1 | 174.3 | -171.6 | 154.4 | 0 | 0 | 0 | 111.7 | V958 E1031 T1037 S1038 A1039 F1119 S1126 | V958-L1035 HydrophobicContact CG2-CD1 4.49Å; E1031-L1035 WeakPolarHBondContact O-CB 3.36Å; E1031-L1035 PolarHBondContact O-N 3.07Å; L1035-T1037 PolarHBondContact O-N 3.21Å; L1035-S1038 PolarHBondContact O-OG 3.43Å; L1035-A1039 WeakPolarHBondContact O-CB 3.34Å; L1035-A1039 PolarHBondContact O-N 3.28Å; L1035-F1119 HydrophobicContact CD2-CE2 4.28Å; L1035-F1119 HydrophobicContact CG-CE2 4.48Å; L1035-S1126 VanDerWaalsContact CD1-OG 3.29Å; L1035-S1126 WeakPolarHBondContact CD1-OG 3.48Å |
| 1036 | L | 86.9 | Confident | 83.1 | Confident | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -66 | -40.4 | -178.2 | -73.4 | 171.3 | 0 | 0 | 0 | 112.7 | P959 L968 Y972 R1032 H1033 A1039 V1040 | P959-L1036 HydrophobicContact CG-CD2 3.77Å; L968-L1036 HydrophobicContact CB-CD2 3.63Å; Y972-L1036 VanDerWaalsContact CB-CD1 3.46Å; Y972-L1036 HydrophobicContact CD1-CD1 4.16Å; Y972-L1036 HydrophobicContact CD2-CD1 4.15Å; Y972-L1036 HydrophobicContact CG-CD1 3.66Å; R1032-L1036 HydrophobicContact CG-CD1 4.29Å; R1032-L1036 WeakPolarHBondContact O-CG 3.31Å; R1032-L1036 PolarHBondContact O-N 3.06Å; R1032-L1036 VanDerWaalsContact O-N 3.15Å; H1033-L1036 PolarHBondContact O-N 3.07Å; L1036-A1039 PolarHBondContact O-N 3.33Å; L1036-V1040 WeakPolarHBondContact O-CG2 3.17Å; L1036-V1040 PolarHBondContact O-N 3.11Å; L1036-V1040 VanDerWaalsContact O-N 3.1Å |
| 1037 | T | 84.8 | Confident | 83.7 | Confident | 47 Ų | 47 | 34.4 Ų | 34.4 | 29% | 0.288 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -69.9 | -39 | -179.4 | -56.5 | 0 | 0 | 0 | 0 | 112 | H1033 L1035 T1041 | H1033-T1037 PolarHBondContact CE1-OG1 2.77Å; H1033-T1037 WeakPolarHBondContact O-CB 3.17Å; H1033-T1037 PolarHBondContact O-N 3.16Å; H1033-T1037 PolarHBondContact O-OG1 3.44Å; L1035-T1037 PolarHBondContact O-N 3.21Å; T1037-T1041 WeakPolarHBondContact O-CB 3.48Å; T1037-T1041 PolarHBondContact O-N 2.66Å; T1037-T1041 VanDerWaalsContact O-N 3.12Å; T1037-T1041 PolarHBondContact O-OG1 2.95Å |
| 1038 | S | 84.4 | Confident | 84.4 | Confident | 11 Ų | 11 | 38.2 Ų | 38.2 | 8% | 0.077 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68.4 | -38.7 | 173.8 | 55.9 | 0 | 0 | 0 | 0 | 112.6 | K1034 L1035 T1041 Y1042 | K1034-S1038 WeakPolarHBondContact O-CB 3.49Å; K1034-S1038 PolarHBondContact O-N 3.5Å; K1034-S1038 PolarHBondContact O-OG 3.47Å; L1035-S1038 PolarHBondContact O-OG 3.43Å; S1038-T1041 PolarHBondContact O-N 2.8Å; S1038-Y1042 WeakPolarHBondContact O-CB 3.34Å; S1038-Y1042 PolarHBondContact O-N 3.1Å |
| 1039 | A | 89.1 | Confident | 84.7 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.5 | -53.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | P959 A965 L1035 L1036 T1041 Y1042 Y1043 F1119 | P959-A1039 HydrophobicContact CB-CB 4.23Å; P959-A1039 HydrophobicContact CG-CB 4.01Å; A965-A1039 HydrophobicContact CB-CB 4.15Å; L1035-A1039 WeakPolarHBondContact O-CB 3.34Å; L1035-A1039 PolarHBondContact O-N 3.28Å; L1036-A1039 PolarHBondContact O-N 3.33Å; A1039-T1041 VanDerWaalsContact C-N 3.28Å; A1039-T1041 PolarHBondContact O-N 3.02Å; A1039-Y1042 PolarHBondContact O-N 3.12Å; A1039-Y1043 WeakPolarHBondContact O-CD2 3.21Å; A1039-Y1043 PolarHBondContact O-N 3.17Å; A1039-F1119 HydrophobicContact CB-CD2 3.78Å; A1039-F1119 HydrophobicContact CB-CE1 4.46Å; A1039-F1119 HydrophobicContact CB-CE2 3.41Å; A1039-F1119 VanDerWaalsContact CB-CE2 3.41Å; A1039-F1119 HydrophobicContact CB-CG 4.47Å; A1039-F1119 HydrophobicContact CB-CZ 3.79Å |
| 1040 | V | 89.8 | Confident | 85.1 | Confident | 7 Ų | 7 | 39.8 Ų | 39.8 | 4% | 0.042 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.1 | -37.6 | 179.7 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | A965 T966 Q969 L1036 K1044 | A965-V1040 HydrophobicContact CB-CG2 3.67Å; A965-V1040 WeakPolarHBondContact O-CG2 3.46Å; T966-V1040 HydrophobicContact CG2-CG1 4.38Å; T966-V1040 HydrophobicContact CG2-CG2 4.33Å; Q969-V1040 HydrophobicContact CB-CG2 4.4Å; L1036-V1040 WeakPolarHBondContact O-CG2 3.17Å; L1036-V1040 PolarHBondContact O-N 3.11Å; L1036-V1040 VanDerWaalsContact O-N 3.1Å; V1040-K1044 HydrophobicContact CG1-CD 4Å; V1040-K1044 WeakPolarHBondContact O-CB 3.33Å; V1040-K1044 VanDerWaalsContact O-CG 3.27Å; V1040-K1044 WeakPolarHBondContact O-CG 3.39Å; V1040-K1044 PolarHBondContact O-N 2.88Å |
| 1041 | T | 86.6 | Confident | 85.5 | Confident | 52 Ų | 52 | 40 Ų | 40 | 32% | 0.319 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -70 | -44.1 | 178.8 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | T1037 S1038 A1039 T1045 | T1037-T1041 WeakPolarHBondContact O-CB 3.48Å; T1037-T1041 PolarHBondContact O-N 2.66Å; T1037-T1041 VanDerWaalsContact O-N 3.12Å; T1037-T1041 PolarHBondContact O-OG1 2.95Å; S1038-T1041 PolarHBondContact O-N 2.8Å; A1039-T1041 VanDerWaalsContact C-N 3.28Å; A1039-T1041 PolarHBondContact O-N 3.02Å; T1041-T1045 WeakPolarHBondContact O-CB 3.25Å; T1041-T1045 PolarHBondContact O-N 3.18Å; T1041-T1045 VanDerWaalsContact O-N 3.13Å; T1041-T1045 PolarHBondContact O-OG1 2.82Å |
| 1042 | Y | 92.6 | Very high | 85.8 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -60.2 | -56.8 | 176.5 | 166.1 | -111.1 | 0 | 0 | 0 | 112 | S1038 A1039 K1044 T1045 L1046 F1119 V1146 S1149 | S1038-Y1042 WeakPolarHBondContact O-CB 3.34Å; S1038-Y1042 PolarHBondContact O-N 3.1Å; A1039-Y1042 PolarHBondContact O-N 3.12Å; Y1042-K1044 VanDerWaalsContact C-N 3.34Å; Y1042-K1044 PolarHBondContact O-N 3.14Å; Y1042-T1045 WeakPolarHBondContact O-CB 3.3Å; Y1042-T1045 PolarHBondContact O-N 3.41Å; Y1042-L1046 PolarHBondContact O-N 3.49Å; Y1042-F1119 AromaticContact CD1-CD1 3.79Å; Y1042-F1119 HydrophobicContact CD1-CD1 3.79Å; Y1042-F1119 HydrophobicContact CD1-CE1 4.3Å; Y1042-F1119 HydrophobicContact CG-CD1 4.3Å; Y1042-V1146 HydrophobicContact CE1-CG1 4.16Å; Y1042-V1146 HydrophobicContact CE1-CG2 3.88Å; Y1042-S1149 WeakPolarHBondContact OH-CB 3.47Å |
| 1043 | Y | 90.9 | Very high | 85.6 | Confident | 19 Ų | 19 | 41.1 Ų | 41.1 | 8% | 0.075 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -38.5 | -175.1 | -72 | -67 | 0 | 0 | 0 | 112.4 | P959 S960 A965 A1039 T1045 L1046 D1047 F1119 | P959-Y1043 PolarHBondContact O-OH 3.46Å; S960-Y1043 VanDerWaalsContact C-OH 3.26Å; S960-Y1043 WeakPolarHBondContact CA-OH 3.36Å; S960-Y1043 PolarHBondContact O-OH 2.7Å; A965-Y1043 HydrophobicContact CB-CD2 4.36Å; A1039-Y1043 WeakPolarHBondContact O-CD2 3.21Å; A1039-Y1043 PolarHBondContact O-N 3.17Å; Y1043-T1045 VanDerWaalsContact C-N 3.31Å; Y1043-T1045 PolarHBondContact O-N 3.45Å; Y1043-L1046 PolarHBondContact O-N 3.15Å; Y1043-D1047 PolarHBondContact O-N 3.12Å; Y1043-D1047 VanDerWaalsContact O-N 3.09Å; Y1043-F1119 AromaticContact CE2-CE1 3.93Å; Y1043-F1119 HydrophobicContact CE2-CE1 3.93Å; Y1043-F1119 HydrophobicContact CE2-CZ 4.3Å |
| 1044 | K | 87.4 | Confident | 85.7 | Confident | 96 Ų | 96 | 40.1 Ų | 40.1 | 42% | 0.417 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -62.2 | -36.7 | 172.8 | -74.4 | 179.5 | 178.3 | 176 | 0 | 113.1 | L962 V1040 Y1042 Q1048 | L962-K1044 HydrophobicContact CD1-CD 4.49Å; L962-K1044 HydrophobicContact CD1-CG 3.64Å; L962-K1044 HydrophobicContact CD2-CG 4.05Å; V1040-K1044 HydrophobicContact CG1-CD 4Å; V1040-K1044 WeakPolarHBondContact O-CB 3.33Å; V1040-K1044 VanDerWaalsContact O-CG 3.27Å; V1040-K1044 WeakPolarHBondContact O-CG 3.39Å; V1040-K1044 PolarHBondContact O-N 2.88Å; Y1042-K1044 VanDerWaalsContact C-N 3.34Å; Y1042-K1044 PolarHBondContact O-N 3.14Å; K1044-Q1048 VanDerWaalsContact O-CG 3.27Å; K1044-Q1048 WeakPolarHBondContact O-CG 3.17Å; K1044-Q1048 PolarHBondContact O-N 3.37Å |
| 1045 | T | 86.1 | Confident | 85.6 | Confident | 11 Ų | 11 | 41.9 Ų | 41.9 | 7% | 0.067 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -67.9 | -39.7 | 177.6 | -51.5 | 0 | 0 | 0 | 0 | 110.8 | T1041 Y1042 Y1043 M1049 Y1111 A1112 N1115 | T1041-T1045 WeakPolarHBondContact O-CB 3.25Å; T1041-T1045 PolarHBondContact O-N 3.18Å; T1041-T1045 VanDerWaalsContact O-N 3.13Å; T1041-T1045 PolarHBondContact O-OG1 2.82Å; Y1042-T1045 WeakPolarHBondContact O-CB 3.3Å; Y1042-T1045 PolarHBondContact O-N 3.41Å; Y1043-T1045 VanDerWaalsContact C-N 3.31Å; Y1043-T1045 PolarHBondContact O-N 3.45Å; T1045-M1049 HydrophobicContact CG2-CG 4.49Å; T1045-M1049 VanDerWaalsContact O-CG 3.25Å; T1045-M1049 WeakPolarHBondContact O-CG 3.34Å; T1045-M1049 PolarHBondContact O-N 2.86Å; T1045-Y1111 HydrophobicContact CG2-CD1 3.62Å; T1045-Y1111 HydrophobicContact CG2-CE1 4.14Å; T1045-A1112 HydrophobicContact CG2-CB 3.93Å; T1045-N1115 PolarHBondContact OG1-ND2 2.97Å |
| 1046 | L | 84.8 | Confident | 85.4 | Confident | 17 Ų | 17 | 42.5 Ų | 42.5 | 9% | 0.089 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -66.3 | -49.8 | -179.8 | -170 | 70.6 | 0 | 0 | 0 | 112 | Y1042 Y1043 Q1048 M1049 L1050 | Y1042-L1046 PolarHBondContact O-N 3.49Å; Y1043-L1046 PolarHBondContact O-N 3.15Å; L1046-Q1048 PolarHBondContact O-N 2.94Å; L1046-M1049 PolarHBondContact O-N 2.78Å; L1046-M1049 VanDerWaalsContact O-N 3.1Å; L1046-L1050 HydrophobicContact CG-CD1 4.3Å; L1046-L1050 PolarHBondContact O-N 3.07Å |
| 1047 | D | 84.8 | Confident | 85.1 | Confident | 92 Ų | 92 | 44.5 Ų | 44.5 | 49% | 0.492 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.3 | -34.4 | 179.1 | -79.7 | -2.7 | 0 | 0 | 0 | 112.5 | L962 Y1043 P1051 | L962-D1047 WeakPolarHBondContact CD2-OD2 3.3Å; Y1043-D1047 PolarHBondContact O-N 3.12Å; Y1043-D1047 VanDerWaalsContact O-N 3.09Å; D1047-P1051 WeakPolarHBondContact O-CD 3.5Å |
| 1048 | Q | 84.9 | Confident | 85 | Confident | 132 Ų | 132 | 48.5 Ų | 48.5 | 62% | 0.617 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -75.7 | -27.9 | 177.5 | -72.7 | 176.8 | 0.2 | 0 | 0 | 113.5 | K1044 L1046 | K1044-Q1048 VanDerWaalsContact O-CG 3.27Å; K1044-Q1048 WeakPolarHBondContact O-CG 3.17Å; K1044-Q1048 PolarHBondContact O-N 3.37Å; L1046-Q1048 PolarHBondContact O-N 2.94Å |
| 1049 | M | 83 | Confident | 84.7 | Confident | 38 Ų | 38 | 51.3 Ų | 51.3 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -87.1 | -35.2 | -174.9 | -72.8 | -63 | 100.7 | 0 | 0 | 113.6 | T1045 L1046 V1052 L1053 G1108 | T1045-M1049 HydrophobicContact CG2-CG 4.49Å; T1045-M1049 VanDerWaalsContact O-CG 3.25Å; T1045-M1049 WeakPolarHBondContact O-CG 3.34Å; T1045-M1049 PolarHBondContact O-N 2.86Å; L1046-M1049 PolarHBondContact O-N 2.78Å; L1046-M1049 VanDerWaalsContact O-N 3.1Å; M1049-V1052 PolarHBondContact O-N 3.47Å; M1049-L1053 WeakPolarHBondContact O-CG 3.47Å; M1049-L1053 PolarHBondContact O-N 3Å; M1049-G1108 WeakPolarHBondContact SD-CA 3.28Å |
| 1050 | L | 82.4 | Confident | 84.4 | Confident | 45 Ų | 45 | 52 Ų | 52 | 24% | 0.236 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -56.5 | -49.7 | -177.1 | -68.1 | 170.1 | 0 | 0 | 0 | 112.8 | L1046 V1052 L1053 D1054 | L1046-L1050 HydrophobicContact CG-CD1 4.3Å; L1046-L1050 PolarHBondContact O-N 3.07Å; L1050-V1052 VanDerWaalsContact C-N 3.27Å; L1050-V1052 PolarHBondContact O-N 3.31Å; L1050-L1053 WeakPolarHBondContact O-CB 3.45Å; L1050-L1053 PolarHBondContact O-N 3.07Å; L1050-D1054 PolarHBondContact O-N 3.44Å; L1050-D1054 VanDerWaalsContact O-N 3.1Å |
| 1051 | P | 81.6 | Confident | 83.7 | Confident | 67 Ų | 67 | 57 Ų | 57 | 44% | 0.435 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.9 | -27 | 179.7 | -21.1 | 34 | 0 | 0 | 0 | 113.9 | D1047 L1053 N1055 | D1047-P1051 WeakPolarHBondContact O-CD 3.5Å; P1051-L1053 VanDerWaalsContact C-N 3.32Å; P1051-N1055 PolarHBondContact O-N 2.99Å; P1051-N1055 VanDerWaalsContact O-N 3.11Å; P1051-N1055 PolarHBondContact O-ND2 3.32Å |
| 1052 | V | 82.6 | Confident | 83.1 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 38% | 0.382 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.5 | -36 | 175.8 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | M1049 L1050 L1056 | M1049-V1052 PolarHBondContact O-N 3.47Å; L1050-V1052 VanDerWaalsContact C-N 3.27Å; L1050-V1052 PolarHBondContact O-N 3.31Å; V1052-L1056 HydrophobicContact CG1-CD1 4.24Å; V1052-L1056 VanDerWaalsContact O-CG 3.31Å; V1052-L1056 WeakPolarHBondContact O-CG 3.24Å; V1052-L1056 PolarHBondContact O-N 3.19Å |
| 1053 | L | 82 | Confident | 81.7 | Confident | 3 Ų | 3 | 62.2 Ų | 62.2 | 2% | 0.016 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -70.7 | -42.7 | 175.4 | -60.4 | 177.3 | 0 | 0 | 0 | 111.5 | M1049 L1050 P1051 N1055 L1056 E1057 F1105 L1153 R1156 I1160 | M1049-L1053 WeakPolarHBondContact O-CG 3.47Å; M1049-L1053 PolarHBondContact O-N 3Å; L1050-L1053 WeakPolarHBondContact O-CB 3.45Å; L1050-L1053 PolarHBondContact O-N 3.07Å; P1051-L1053 VanDerWaalsContact C-N 3.32Å; L1053-N1055 PolarHBondContact O-N 3.37Å; L1053-L1056 PolarHBondContact O-N 3.47Å; L1053-E1057 PolarHBondContact O-N 2.94Å; L1053-F1105 HydrophobicContact CD2-CB 4.13Å; L1053-F1105 HydrophobicContact CD2-CD2 3.65Å; L1053-F1105 HydrophobicContact CD2-CE2 4.4Å; L1053-F1105 HydrophobicContact CD2-CG 4.15Å; L1053-L1153 HydrophobicContact CD1-CD1 3.65Å; L1053-R1156 HydrophobicContact CD1-CB 4.24Å; L1053-I1160 HydrophobicContact CB-CD1 3.61Å; L1053-I1160 HydrophobicContact CD2-CD1 3.71Å; L1053-I1160 HydrophobicContact CG-CD1 4.19Å; L1053-I1160 WeakPolarHBondContact O-CD1 3.29Å |
| 1054 | D | 82.5 | Confident | 80.5 | Confident | 70 Ų | 70 | 68.6 Ų | 68.6 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.8 | -49.3 | 175.4 | -70.4 | -68.6 | 0 | 0 | 0 | 111.9 | L1050 L1056 E1057 E1058 R1156 | L1050-D1054 PolarHBondContact O-N 3.44Å; L1050-D1054 VanDerWaalsContact O-N 3.1Å; D1054-L1056 PolarHBondContact O-N 3.3Å; D1054-E1057 PolarHBondContact O-N 3.1Å; D1054-E1058 PolarHBondContact O-N 3.41Å; D1054-R1156 IonicContact OD1-CZ 3.31Å; D1054-R1156 IonicContact OD1-NH1 3.31Å; D1054-R1156 PolarHBondContact OD1-NH1 2.79Å; D1054-R1156 IonicContact OD1-NH2 2.74Å; D1054-R1156 PolarHBondContact OD1-NH2 2.75Å; D1054-R1156 IonicContact OD2-CZ 3.72Å; D1054-R1156 IonicContact OD2-NH1 2.95Å; D1054-R1156 PolarHBondContact OD2-NH1 3.11Å; D1054-R1156 IonicContact OD2-NH2 2.71Å |
| 1055 | N | 83 | Confident | 79.5 | Confident | 107 Ų | 107 | 67.6 Ų | 67.6 | 57% | 0.572 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.3 | -41.1 | 178 | -74.9 | -60.8 | 0 | 0 | 0 | 112.5 | P1051 L1053 E1057 E1058 D1059 | P1051-N1055 PolarHBondContact O-N 2.99Å; P1051-N1055 VanDerWaalsContact O-N 3.11Å; P1051-N1055 PolarHBondContact O-ND2 3.32Å; L1053-N1055 PolarHBondContact O-N 3.37Å; N1055-E1057 VanDerWaalsContact C-N 3.33Å; N1055-E1058 PolarHBondContact O-N 3.38Å; N1055-D1059 WeakPolarHBondContact O-CB 3.27Å; N1055-D1059 PolarHBondContact O-N 3.27Å |
| 1056 | L | 82.4 | Confident | 78.8 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.079 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.9 | -29.6 | 178.7 | -74.1 | 172.7 | 0 | 0 | 0 | 112.8 | V1052 L1053 D1054 Y1060 N1101 F1105 I1160 | V1052-L1056 HydrophobicContact CG1-CD1 4.24Å; V1052-L1056 VanDerWaalsContact O-CG 3.31Å; V1052-L1056 WeakPolarHBondContact O-CG 3.24Å; V1052-L1056 PolarHBondContact O-N 3.19Å; L1053-L1056 PolarHBondContact O-N 3.47Å; D1054-L1056 PolarHBondContact O-N 3.3Å; L1056-Y1060 HydrophobicContact CD2-CE1 4.38Å; L1056-Y1060 WeakPolarHBondContact O-CB 3.42Å; L1056-Y1060 WeakPolarHBondContact O-CD2 3.13Å; L1056-Y1060 PolarHBondContact O-N 2.97Å; L1056-Y1060 VanDerWaalsContact O-N 3.1Å; L1056-N1101 HydrophobicContact CD2-CB 4.08Å; L1056-F1105 HydrophobicContact CD1-CB 3.65Å; L1056-F1105 HydrophobicContact CD1-CD1 3.8Å; L1056-F1105 HydrophobicContact CD1-CG 3.96Å; L1056-I1160 HydrophobicContact CB-CG2 4.41Å |
| 1057 | E | 81.4 | Confident | 78.2 | Confident | 42 Ų | 42 | 67.8 Ų | 67.8 | 20% | 0.196 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.5 | -48.7 | 173.4 | 178 | 157.3 | -154 | 0 | 0 | 111.2 | L1053 D1054 N1055 D1059 Y1060 Q1061 I1160 L1163 | L1053-E1057 PolarHBondContact O-N 2.94Å; D1054-E1057 PolarHBondContact O-N 3.1Å; N1055-E1057 VanDerWaalsContact C-N 3.33Å; E1057-D1059 PolarHBondContact O-N 2.78Å; E1057-Y1060 PolarHBondContact O-N 2.93Å; E1057-Q1061 HydrophobicContact CG-CG 4.27Å; E1057-Q1061 VanDerWaalsContact CG-NE2 3.3Å; E1057-Q1061 WeakPolarHBondContact O-CB 3.25Å; E1057-Q1061 WeakPolarHBondContact O-CG 3.41Å; E1057-Q1061 PolarHBondContact O-N 3.27Å; E1057-Q1061 PolarHBondContact OE1-NE2 2.99Å; E1057-I1160 HydrophobicContact CB-CG1 4.37Å; E1057-L1163 HydrophobicContact CG-CD1 4.05Å |
| 1058 | E | 81.7 | Confident | 77.3 | Confident | 132 Ų | 132 | 65.3 Ų | 65.3 | 62% | 0.617 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60 | -44.9 | 175.9 | -171.6 | 179.9 | 173.3 | 0 | 0 | 112.2 | D1054 N1055 Y1060 Q1061 T1062 | D1054-E1058 PolarHBondContact O-N 3.41Å; N1055-E1058 PolarHBondContact O-N 3.38Å; E1058-Y1060 PolarHBondContact O-N 3.05Å; E1058-Q1061 PolarHBondContact O-N 2.89Å; E1058-T1062 WeakPolarHBondContact O-CG2 3.4Å; E1058-T1062 PolarHBondContact O-N 2.82Å; E1058-T1062 VanDerWaalsContact O-N 3.13Å; E1058-T1062 PolarHBondContact O-OG1 3.37Å; E1058-T1062 VanDerWaalsContact O-OG1 3.09Å |
| 1059 | D | 78.7 | Confident | 76.2 | Confident | 70 Ų | 70 | 64.3 Ų | 64.3 | 37% | 0.374 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.3 | -21.9 | 179.7 | -148.2 | 40.3 | 0 | 0 | 0 | 112.2 | N1055 E1057 K1167 | N1055-D1059 WeakPolarHBondContact O-CB 3.27Å; N1055-D1059 PolarHBondContact O-N 3.27Å; E1057-D1059 PolarHBondContact O-N 2.78Å; D1059-K1167 PolarHBondContact O-NZ 2.87Å |
| 1060 | Y | 82.6 | Confident | 75.3 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 6% | 0.059 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -98.8 | -21.4 | 175.9 | -63.2 | -10.3 | 0 | 0 | 0 | 114.3 | L1056 E1057 E1058 H1098 I1160 L1163 W1164 K1167 | L1056-Y1060 HydrophobicContact CD2-CE1 4.38Å; L1056-Y1060 WeakPolarHBondContact O-CB 3.42Å; L1056-Y1060 WeakPolarHBondContact O-CD2 3.13Å; L1056-Y1060 PolarHBondContact O-N 2.97Å; L1056-Y1060 VanDerWaalsContact O-N 3.1Å; E1057-Y1060 PolarHBondContact O-N 2.93Å; E1058-Y1060 PolarHBondContact O-N 3.05Å; Y1060-H1098 AromaticContact CD1-CE1 3.96Å; Y1060-H1098 AromaticContact CE1-CE1 3.53Å; Y1060-H1098 AromaticContact CE1-ND1 3.47Å; Y1060-H1098 WeakPolarHBondContact CE1-ND1 3.5Å; Y1060-H1098 AromaticContact CZ-CE1 3.75Å; Y1060-H1098 AromaticContact CZ-ND1 3.89Å; Y1060-I1160 HydrophobicContact CD2-CG2 4.06Å; Y1060-I1160 HydrophobicContact CE2-CG2 3.83Å; Y1060-L1163 HydrophobicContact CD2-CB 4.29Å; Y1060-W1164 HydrophobicContact CD2-CB 4.12Å; Y1060-W1164 HydrophobicContact CE2-CB 3.79Å; Y1060-W1164 AromaticContact CE2-CD1 3.92Å; Y1060-W1164 HydrophobicContact CE2-CG 4.3Å; Y1060-W1164 AromaticContact CZ-CD1 3.87Å; Y1060-K1167 HydrophobicContact CD1-CD 3.64Å; Y1060-K1167 HydrophobicContact CE1-CD 4.31Å; Y1060-K1167 HydrophobicContact CG-CD 4.26Å |
| 1061 | Q | 76 | Confident | 74.3 | Confident | 111 Ų | 111 | 66.3 Ų | 66.3 | 52% | 0.519 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -77.5 | -29.8 | 171.8 | -72.1 | -172.2 | 22.8 | 0 | 0 | 112.8 | E1057 E1058 E1063 L1163 | E1057-Q1061 HydrophobicContact CG-CG 4.27Å; E1057-Q1061 VanDerWaalsContact CG-NE2 3.3Å; E1057-Q1061 WeakPolarHBondContact O-CB 3.25Å; E1057-Q1061 WeakPolarHBondContact O-CG 3.41Å; E1057-Q1061 PolarHBondContact O-N 3.27Å; E1057-Q1061 PolarHBondContact OE1-NE2 2.99Å; E1058-Q1061 PolarHBondContact O-N 2.89Å; Q1061-E1063 PolarHBondContact O-N 3.11Å; Q1061-L1163 HydrophobicContact CG-CD1 4.02Å; Q1061-L1163 HydrophobicContact CG-CD2 4.49Å |
| 1062 | T | 73.3 | Confident | 73.2 | Confident | 50 Ų | 50 | 71.3 Ų | 71.3 | 31% | 0.307 | 35% | 0.347 | S | S | . | . | trans | -71.1 | 94.9 | -177 | 46.2 | 0 | 0 | 0 | 0 | 113.4 | E1058 R1064 | E1058-T1062 WeakPolarHBondContact O-CG2 3.4Å; E1058-T1062 PolarHBondContact O-N 2.82Å; E1058-T1062 VanDerWaalsContact O-N 3.13Å; E1058-T1062 PolarHBondContact O-OG1 3.37Å; E1058-T1062 VanDerWaalsContact O-OG1 3.09Å; T1062-R1064 PolarHBondContact O-N 3.34Å | ||
| 1063 | E | 62.7 | Low | 71.7 | Confident | 111 Ų | 111 | 74.1 Ų | 74.1 | 52% | 0.519 | 36% | 0.356 | S | S | . | . | trans | -70.5 | 122.5 | 177.5 | -47.4 | -152.1 | 154.9 | 0 | 0 | 111.4 | Q1061 K1166 R1170 | Q1061-E1063 PolarHBondContact O-N 3.11Å; E1063-K1166 WeakPolarHBondContact OE1-CE 3.05Å; E1063-K1166 IonicContact OE1-NZ 2.81Å; E1063-K1166 PolarHBondContact OE1-NZ 2.69Å; E1063-R1170 IonicContact OE1-CZ 3.29Å; E1063-R1170 IonicContact OE1-NH1 3.56Å; E1063-R1170 PolarHBondContact OE1-NH1 3.45Å; E1063-R1170 IonicContact OE1-NH2 2.63Å; E1063-R1170 PolarHBondContact OE1-NH2 3.44Å; E1063-R1170 IonicContact OE2-CZ 2.83Å; E1063-R1170 IonicContact OE2-NH1 3.1Å; E1063-R1170 PolarHBondContact OE2-NH1 3.48Å; E1063-R1170 VanDerWaalsContact OE2-NH1 3.15Å; E1063-R1170 IonicContact OE2-NH2 2.65Å; E1063-R1170 PolarHBondContact OE2-NH2 2.99Å | ||
| 1064 | R | 67 | Low | 70.2 | Confident | 154 Ų | 154 | 75.7 Ų | 75.7 | 58% | 0.581 | 37% | 0.369 | S | S | * | . | trans | -140.6 | 143.6 | 178.5 | -56.5 | -176.4 | -165.8 | -178.2 | 5.9 | 109.7 | T1062 W1066 | T1062-R1064 PolarHBondContact O-N 3.34Å; R1064-W1066 PolarHBondContact O-N 2.79Å | ||
| 1065 | D | 66.4 | Low | 68.3 | Low | 74 Ų | 74 | 75.6 Ų | 75.6 | 40% | 0.396 | 39% | 0.385 | S | S | . | . | trans | -79.1 | 104.5 | 169.6 | -179.1 | -16.4 | 0 | 0 | 0 | 109.5 | C1067 A1068 W1069 | D1065-C1067 VanDerWaalsContact C-N 3.32Å; D1065-C1067 WeakPolarHBondContact OD1-CA 3.45Å; D1065-C1067 WeakPolarHBondContact OD1-CB 3.45Å; D1065-C1067 PolarHBondContact OD1-N 3.29Å; D1065-A1068 HydrophobicContact CB-CB 4.08Å; D1065-A1068 PolarHBondContact OD1-N 3.31Å; D1065-A1068 WeakPolarHBondContact OD2-CB 3.19Å; D1065-W1069 VanDerWaalsContact O-CB 3.27Å; D1065-W1069 WeakPolarHBondContact O-CB 3.41Å; D1065-W1069 PolarHBondContact O-N 2.63Å | ||
| 1066 | W | 71.5 | Confident | 66.3 | Low | 29 Ų | 29 | 79 Ų | 79 | 11% | 0.11 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.8 | -24.4 | -178.7 | -57.3 | -70.8 | 0 | 0 | 0 | 113.1 | R1064 Y1070 L1094 K1167 R1170 L1171 | R1064-W1066 PolarHBondContact O-N 2.79Å; W1066-Y1070 PolarHBondContact O-N 3.25Å; W1066-L1094 HydrophobicContact CB-CD1 3.95Å; W1066-L1094 HydrophobicContact CG-CD1 3.99Å; W1066-K1167 HydrophobicContact CH2-CG 4.06Å; W1066-K1167 HydrophobicContact CZ2-CD 4.46Å; W1066-K1167 HydrophobicContact CZ2-CG 4.23Å; W1066-R1170 HydrophobicContact CH2-CB 4.49Å; W1066-R1170 HydrophobicContact CZ3-CB 3.96Å; W1066-L1171 HydrophobicContact CD2-CD2 3.72Å; W1066-L1171 HydrophobicContact CE3-CD2 3.62Å; W1066-L1171 HydrophobicContact CE3-CG 4.25Å; W1066-L1171 HydrophobicContact CG-CD2 4.19Å; W1066-L1171 HydrophobicContact CZ3-CD2 4.05Å; W1066-L1171 HydrophobicContact CZ3-CG 4.18Å |
| 1067 | C | 72.5 | Confident | 64 | Low | 3 Ų | 3 | 84.8 Ų | 84.8 | 2% | 0.02 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -78 | -47.7 | 177.3 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | D1065 W1069 Y1070 T1071 Y1177 H1252 | D1065-C1067 VanDerWaalsContact C-N 3.32Å; D1065-C1067 WeakPolarHBondContact OD1-CA 3.45Å; D1065-C1067 WeakPolarHBondContact OD1-CB 3.45Å; D1065-C1067 PolarHBondContact OD1-N 3.29Å; C1067-W1069 VanDerWaalsContact C-N 3.31Å; C1067-W1069 PolarHBondContact O-N 3.15Å; C1067-Y1070 PolarHBondContact O-N 3.33Å; C1067-T1071 PolarHBondContact O-N 2.9Å; C1067-T1071 VanDerWaalsContact O-N 3.13Å; C1067-T1071 PolarHBondContact O-OG1 3.37Å; C1067-Y1177 HydrophobicContact CB-CE1 4.2Å; C1067-H1252 WeakPolarHBondContact CB-NE2 3.34Å; C1067-H1252 VanDerWaalsContact SG-CE1 3.53Å; C1067-H1252 PolarHBondContact SG-NE2 2.65Å |
| 1068 | A | 65.7 | Low | 61.8 | Low | 40 Ų | 40 | 86.1 Ų | 86.1 | 33% | 0.331 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -69.3 | -28.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D1065 T1071 K1072 | D1065-A1068 HydrophobicContact CB-CB 4.08Å; D1065-A1068 PolarHBondContact OD1-N 3.31Å; D1065-A1068 WeakPolarHBondContact OD2-CB 3.19Å; A1068-T1071 PolarHBondContact O-N 3.32Å; A1068-K1072 WeakPolarHBondContact O-CB 3.15Å; A1068-K1072 PolarHBondContact O-N 3.15Å |
| 1069 | W | 61.2 | Low | 59.5 | Low | 112 Ų | 112 | 90.4 Ų | 90.4 | 42% | 0.424 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 173.7 | -169.6 | 89.3 | 0 | 0 | 0 | 112.2 | D1065 C1067 T1071 K1072 Q1073 Y1090 | D1065-W1069 VanDerWaalsContact O-CB 3.27Å; D1065-W1069 WeakPolarHBondContact O-CB 3.41Å; D1065-W1069 PolarHBondContact O-N 2.63Å; C1067-W1069 VanDerWaalsContact C-N 3.31Å; C1067-W1069 PolarHBondContact O-N 3.15Å; W1069-T1071 VanDerWaalsContact C-N 3.34Å; W1069-T1071 PolarHBondContact O-N 2.85Å; W1069-K1072 PolarHBondContact O-N 3.28Å; W1069-Q1073 HydrophobicContact CE3-CG 4.46Å; W1069-Q1073 HydrophobicContact CH2-CG 4.04Å; W1069-Q1073 VanDerWaalsContact CH2-OE1 3.31Å; W1069-Q1073 HydrophobicContact CZ2-CG 4.2Å; W1069-Q1073 HydrophobicContact CZ3-CG 4.17Å; W1069-Q1073 PolarHBondContact O-N 3.1Å; W1069-Q1073 VanDerWaalsContact O-N 3.1Å; W1069-Y1090 HydrophobicContact CE3-CE1 4.33Å; W1069-Y1090 AromaticContact CE3-CZ 3.91Å; W1069-Y1090 VanDerWaalsContact CE3-OH 3.25Å; W1069-Y1090 HydrophobicContact CZ3-CE2 4.33Å; W1069-Y1090 AromaticContact CZ3-CZ 3.87Å; W1069-Y1090 VanDerWaalsContact CZ3-OH 3.26Å; W1069-Y1090 WeakPolarHBondContact CZ3-OH 3.47Å |
| 1070 | Y | 64.6 | Low | 57.6 | Low | 47 Ų | 47 | 90.9 Ų | 90.9 | 18% | 0.184 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -58.4 | -47 | 172.6 | -178.1 | -89.6 | 0 | 0 | 0 | 111.2 | W1066 C1067 K1072 Q1073 A1074 D1086 K1087 Y1090 | W1066-Y1070 PolarHBondContact O-N 3.25Å; C1067-Y1070 PolarHBondContact O-N 3.33Å; Y1070-K1072 VanDerWaalsContact C-N 3.29Å; Y1070-K1072 PolarHBondContact O-N 2.95Å; Y1070-Q1073 PolarHBondContact O-N 3.34Å; Y1070-Q1073 VanDerWaalsContact O-N 3.16Å; Y1070-A1074 PolarHBondContact O-N 2.87Å; Y1070-D1086 VanDerWaalsContact OH-CB 3.24Å; Y1070-D1086 WeakPolarHBondContact OH-CB 3.42Å; Y1070-K1087 HydrophobicContact CD1-CB 4.12Å; Y1070-K1087 HydrophobicContact CD1-CD 4.5Å; Y1070-K1087 HydrophobicContact CD1-CG 3.8Å; Y1070-K1087 HydrophobicContact CE1-CB 3.92Å; Y1070-K1087 HydrophobicContact CE1-CG 4.14Å; Y1070-K1087 HydrophobicContact CG-CG 4.42Å; Y1070-Y1090 AromaticContact CD2-CD1 3.7Å; Y1070-Y1090 HydrophobicContact CD2-CD1 3.7Å; Y1070-Y1090 HydrophobicContact CD2-CD2 4.33Å; Y1070-Y1090 HydrophobicContact CD2-CE1 4.37Å; Y1070-Y1090 AromaticContact CD2-CG 3.68Å; Y1070-Y1090 HydrophobicContact CD2-CG 3.68Å; Y1070-Y1090 HydrophobicContact CE2-CG 4.26Å; Y1070-Y1090 HydrophobicContact CG-CD1 4.19Å |
| 1071 | T | 60.4 | Low | 55.7 | Low | 77 Ų | 77 | 95.8 Ų | 95.8 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.4 | -37.1 | 177.6 | -49 | 0 | 0 | 0 | 0 | 112.2 | C1067 A1068 W1069 G1075 | C1067-T1071 PolarHBondContact O-N 2.9Å; C1067-T1071 VanDerWaalsContact O-N 3.13Å; C1067-T1071 PolarHBondContact O-OG1 3.37Å; A1068-T1071 PolarHBondContact O-N 3.32Å; W1069-T1071 VanDerWaalsContact C-N 3.34Å; W1069-T1071 PolarHBondContact O-N 2.85Å; T1071-G1075 PolarHBondContact O-N 3.27Å |
| 1072 | K | 58.5 | Low | 54.2 | Low | 172 Ų | 172 | 94.6 Ų | 94.6 | 75% | 0.748 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.9 | -35.1 | 175.2 | -88.6 | -174.7 | 172.7 | 179.9 | 0 | 113.9 | A1068 W1069 Y1070 | A1068-K1072 WeakPolarHBondContact O-CB 3.15Å; A1068-K1072 PolarHBondContact O-N 3.15Å; W1069-K1072 PolarHBondContact O-N 3.28Å; Y1070-K1072 VanDerWaalsContact C-N 3.29Å; Y1070-K1072 PolarHBondContact O-N 2.95Å |
| 1073 | Q | 52 | Low | 52.7 | Low | 122 Ų | 122 | 96.5 Ų | 96.5 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.7 | -44.3 | 172.8 | -74.8 | -150.7 | -40.4 | 0 | 0 | 111.8 | W1069 Y1070 G1075 | W1069-Q1073 HydrophobicContact CE3-CG 4.46Å; W1069-Q1073 HydrophobicContact CH2-CG 4.04Å; W1069-Q1073 VanDerWaalsContact CH2-OE1 3.31Å; W1069-Q1073 HydrophobicContact CZ2-CG 4.2Å; W1069-Q1073 HydrophobicContact CZ3-CG 4.17Å; W1069-Q1073 PolarHBondContact O-N 3.1Å; W1069-Q1073 VanDerWaalsContact O-N 3.1Å; Y1070-Q1073 PolarHBondContact O-N 3.34Å; Y1070-Q1073 VanDerWaalsContact O-N 3.16Å; Q1073-G1075 VanDerWaalsContact C-N 3.26Å; Q1073-G1075 PolarHBondContact O-N 2.89Å |
| 1074 | A | 50.4 | Low | 52 | Low | 37 Ų | 37 | 94.8 Ų | 94.8 | 31% | 0.306 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.4 | -34.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1070 Q1076 E1077 | Y1070-A1074 PolarHBondContact O-N 2.87Å; A1074-Q1076 PolarHBondContact O-N 3.44Å; A1074-E1077 PolarHBondContact O-N 3.03Å; A1074-E1077 VanDerWaalsContact O-N 3.09Å |
| 1075 | G | 41.8 | Very low | 51.3 | Low | 68 Ų | 68 | 94.8 Ų | 94.8 | 70% | 0.701 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -8.5 | -176 | 0 | 0 | 0 | 0 | 0 | 117 | T1071 Q1073 | T1071-G1075 PolarHBondContact O-N 3.27Å; Q1073-G1075 VanDerWaalsContact C-N 3.26Å; Q1073-G1075 PolarHBondContact O-N 2.89Å |
| 1076 | Q | 41.6 | Very low | 50.9 | Low | 177 Ų | 177 | 95.9 Ų | 95.9 | 83% | 0.827 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -14.4 | 172.4 | -78.2 | -173.7 | -67.2 | 0 | 0 | 114 | A1074 | A1074-Q1076 PolarHBondContact O-N 3.44Š|
| 1077 | E | 34.6 | Very low | 50.9 | Low | 137 Ų | 137 | 95.2 Ų | 95.2 | 64% | 0.64 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -138.9 | 124 | -177.2 | -72 | -166.5 | 162.4 | 0 | 0 | 115.9 | A1074 K1083 | A1074-E1077 PolarHBondContact O-N 3.03Å; A1074-E1077 VanDerWaalsContact O-N 3.09Å; E1077-K1083 IonicContact OE2-NZ 2.67Å |
| 1078 | A | 33.8 | Very low | 50.8 | Low | 70 Ų | 70 | 96.3 Ų | 96.3 | 58% | 0.579 | 53% | 0.531 | S | S | * | . | trans | 72 | 117.6 | 164.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | T1080 | A1078-T1080 HydrophobicContact CB-CG2 4.45Å; A1078-T1080 WeakPolarHBondContact CB-OG1 3.31Å; A1078-T1080 PolarHBondContact O-N 2.7Å | ||
| 1079 | K | 35 | Very low | 51.2 | Low | 223 Ų | 223 | 97.4 Ų | 97.4 | 97% | 0.97 | 54% | 0.536 | S | S | * | . | trans | -77.3 | 53.3 | 167.5 | -66.1 | 178.9 | 175.7 | 178.4 | 0 | 111.5 | ||||
| 1080 | T | 38.3 | Very low | 52 | Low | 79 Ų | 79 | 94.6 Ų | 94.6 | 49% | 0.485 | 53% | 0.526 | S | S | . | . | trans | -124.4 | 122.3 | -178 | 51.6 | 0 | 0 | 0 | 0 | 110 | A1078 S1082 | A1078-T1080 HydrophobicContact CB-CG2 4.45Å; A1078-T1080 WeakPolarHBondContact CB-OG1 3.31Å; A1078-T1080 PolarHBondContact O-N 2.7Å; T1080-S1082 PolarHBondContact O-N 3.34Å | ||
| 1081 | S | 41.8 | Very low | 52.7 | Low | 119 Ų | 119 | 92.4 Ų | 92.4 | 83% | 0.832 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -61.1 | -17.4 | -171.7 | 44 | 0 | 0 | 0 | 0 | 115.3 | K1083 A1084 | S1081-K1083 VanDerWaalsContact C-N 3.33Å; S1081-K1083 PolarHBondContact O-N 3.32Å; S1081-A1084 PolarHBondContact O-N 2.94Å |
| 1082 | S | 44.7 | Very low | 53.6 | Low | 86 Ų | 86 | 92.5 Ų | 92.5 | 60% | 0.601 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -61.3 | -30.3 | -177.6 | 48.2 | 0 | 0 | 0 | 0 | 115.2 | T1080 A1084 | T1080-S1082 PolarHBondContact O-N 3.34Å; S1082-A1084 VanDerWaalsContact C-N 3.25Å; S1082-A1084 PolarHBondContact O-N 2.97Å |
| 1083 | K | 42.3 | Very low | 54.7 | Low | 90 Ų | 90 | 90.7 Ų | 90.7 | 39% | 0.391 | 51% | 0.506 | S | S | . | . | G | 310 helix | trans | -74.1 | -4.2 | -176.4 | -79.6 | -172.5 | 177.5 | 178.5 | 0 | 115 | E1077 S1081 Q1085 | E1077-K1083 IonicContact OE2-NZ 2.67Å; S1081-K1083 VanDerWaalsContact C-N 3.33Å; S1081-K1083 PolarHBondContact O-N 3.32Å; K1083-Q1085 VanDerWaalsContact C-N 3.28Å; K1083-Q1085 PolarHBondContact O-N 3.28Å |
| 1084 | A | 47.4 | Very low | 56.1 | Low | 74 Ų | 74 | 86.9 Ų | 86.9 | 61% | 0.612 | 49% | 0.49 | S | S | * | . | G | 310 helix | trans | -69.1 | -23.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1081 S1082 D1086 | S1081-A1084 PolarHBondContact O-N 2.94Å; S1082-A1084 VanDerWaalsContact C-N 3.25Å; S1082-A1084 PolarHBondContact O-N 2.97Å; A1084-D1086 PolarHBondContact O-N 3.43Å |
| 1085 | Q | 52.4 | Low | 57.5 | Low | 155 Ų | 155 | 85.3 Ų | 85.3 | 72% | 0.724 | 48% | 0.476 | S | S | * | . | G | 310 helix | trans | -79.2 | -13.9 | -170.1 | -65.2 | -171.2 | -5.8 | 0 | 0 | 115.3 | K1083 P1088 | K1083-Q1085 VanDerWaalsContact C-N 3.28Å; K1083-Q1085 PolarHBondContact O-N 3.28Å; Q1085-P1088 WeakPolarHBondContact O-CD 3.31Å |
| 1086 | D | 59.2 | Low | 59.1 | Low | 96 Ų | 96 | 84.6 Ų | 84.6 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -86.5 | -13.2 | -178 | -79.2 | -38.8 | 0 | 0 | 0 | 114.2 | Y1070 A1084 S1089 Y1090 | Y1070-D1086 VanDerWaalsContact OH-CB 3.24Å; Y1070-D1086 WeakPolarHBondContact OH-CB 3.42Å; A1084-D1086 PolarHBondContact O-N 3.43Å; D1086-S1089 WeakPolarHBondContact O-CB 3.39Å; D1086-S1089 PolarHBondContact O-N 3.4Å; D1086-S1089 VanDerWaalsContact O-N 3.15Å; D1086-Y1090 PolarHBondContact O-N 3.38Å |
| 1087 | K | 70.3 | Confident | 61.1 | Low | 16 Ų | 16 | 82.2 Ų | 82.2 | 7% | 0.07 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -53.5 | -40.6 | 179.4 | -161.7 | -178.6 | 179 | -168.7 | 0 | 114.2 | Y1070 V1091 V1178 E1181 | Y1070-K1087 HydrophobicContact CD1-CB 4.12Å; Y1070-K1087 HydrophobicContact CD1-CD 4.5Å; Y1070-K1087 HydrophobicContact CD1-CG 3.8Å; Y1070-K1087 HydrophobicContact CE1-CB 3.92Å; Y1070-K1087 HydrophobicContact CE1-CG 4.14Å; Y1070-K1087 HydrophobicContact CG-CG 4.42Å; K1087-V1091 PolarHBondContact O-N 2.83Å; K1087-V1178 HydrophobicContact CB-CG1 3.76Å; K1087-V1178 HydrophobicContact CD-CG1 3.98Å; K1087-V1178 HydrophobicContact CD-CG2 3.99Å; K1087-V1178 HydrophobicContact CG-CG1 3.72Å; K1087-V1178 HydrophobicContact CG-CG2 4Å; K1087-E1181 WeakPolarHBondContact CD-OE2 3.43Å; K1087-E1181 WeakPolarHBondContact CE-OE2 3.38Å; K1087-E1181 IonicContact NZ-OE1 3.44Å; K1087-E1181 PolarHBondContact NZ-OE1 3.25Å; K1087-E1181 IonicContact NZ-OE2 3.6Å; K1087-E1181 PolarHBondContact NZ-OE2 3.27Å |
| 1088 | P | 71.7 | Confident | 63.5 | Low | 26 Ų | 26 | 76 Ų | 76 | 17% | 0.169 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.2 | -38.9 | 177.9 | -7 | 18.7 | 0 | 0 | 0 | 112.2 | Q1085 Y1090 V1091 Q1092 V1178 L1179 | Q1085-P1088 WeakPolarHBondContact O-CD 3.31Å; P1088-Y1090 VanDerWaalsContact C-N 3.33Å; P1088-Y1090 PolarHBondContact O-N 2.99Å; P1088-V1091 PolarHBondContact O-N 3.45Å; P1088-Q1092 PolarHBondContact O-N 3.06Å; P1088-V1178 HydrophobicContact CB-CG1 3.97Å; P1088-V1178 HydrophobicContact CG-CG1 3.75Å; P1088-L1179 HydrophobicContact CB-CD2 4.34Å |
| 1089 | S | 72.9 | Confident | 65.8 | Low | 63 Ų | 63 | 75.7 Ų | 75.7 | 44% | 0.441 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.5 | -39.6 | -178.9 | -55.2 | 0 | 0 | 0 | 0 | 111.8 | D1086 Q1092 Q1093 | D1086-S1089 WeakPolarHBondContact O-CB 3.39Å; D1086-S1089 PolarHBondContact O-N 3.4Å; D1086-S1089 VanDerWaalsContact O-N 3.15Å; S1089-Q1092 PolarHBondContact O-N 2.88Å; S1089-Q1093 WeakPolarHBondContact O-CG 3.4Å; S1089-Q1093 PolarHBondContact O-N 3.11Å |
| 1090 | Y | 77.7 | Confident | 67.9 | Low | 52 Ų | 52 | 68.7 Ų | 68.7 | 20% | 0.204 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 175.3 | 176.2 | -109.3 | 0 | 0 | 0 | 112.6 | W1069 Y1070 D1086 P1088 Q1092 Q1093 L1094 | W1069-Y1090 HydrophobicContact CE3-CE1 4.33Å; W1069-Y1090 AromaticContact CE3-CZ 3.91Å; W1069-Y1090 VanDerWaalsContact CE3-OH 3.25Å; W1069-Y1090 HydrophobicContact CZ3-CE2 4.33Å; W1069-Y1090 AromaticContact CZ3-CZ 3.87Å; W1069-Y1090 VanDerWaalsContact CZ3-OH 3.26Å; W1069-Y1090 WeakPolarHBondContact CZ3-OH 3.47Å; Y1070-Y1090 AromaticContact CD2-CD1 3.7Å; Y1070-Y1090 HydrophobicContact CD2-CD1 3.7Å; Y1070-Y1090 HydrophobicContact CD2-CD2 4.33Å; Y1070-Y1090 HydrophobicContact CD2-CE1 4.37Å; Y1070-Y1090 AromaticContact CD2-CG 3.68Å; Y1070-Y1090 HydrophobicContact CD2-CG 3.68Å; Y1070-Y1090 HydrophobicContact CE2-CG 4.26Å; Y1070-Y1090 HydrophobicContact CG-CD1 4.19Å; D1086-Y1090 PolarHBondContact O-N 3.38Å; P1088-Y1090 VanDerWaalsContact C-N 3.33Å; P1088-Y1090 PolarHBondContact O-N 2.99Å; Y1090-Q1092 PolarHBondContact O-N 3.2Å; Y1090-Q1093 PolarHBondContact O-N 3.18Å; Y1090-L1094 HydrophobicContact CD1-CD1 4.27Å; Y1090-L1094 HydrophobicContact CE1-CD1 3.65Å; Y1090-L1094 HydrophobicContact CE1-CG 4.38Å; Y1090-L1094 HydrophobicContact CE2-CG 4.44Å; Y1090-L1094 PolarHBondContact O-N 3.05Å; Y1090-L1094 VanDerWaalsContact O-N 3.09Å |
| 1091 | V | 80.6 | Confident | 70.1 | Confident | 1 Ų | 1 | 66.4 Ų | 66.4 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 177.5 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | K1087 P1088 Q1093 L1094 I1095 C1174 Q1175 V1178 | K1087-V1091 PolarHBondContact O-N 2.83Å; P1088-V1091 PolarHBondContact O-N 3.45Å; V1091-Q1093 VanDerWaalsContact C-N 3.34Å; V1091-Q1093 PolarHBondContact O-N 2.91Å; V1091-L1094 PolarHBondContact O-N 2.83Å; V1091-I1095 HydrophobicContact CG1-CD1 4.18Å; V1091-I1095 WeakPolarHBondContact O-CG1 3.37Å; V1091-I1095 PolarHBondContact O-N 3.48Å; V1091-C1174 HydrophobicContact CG1-CB 3.88Å; V1091-C1174 HydrophobicContact CG2-CB 4.47Å; V1091-Q1175 HydrophobicContact CG1-CB 3.99Å; V1091-V1178 HydrophobicContact CG2-CG2 4.49Å |
| 1092 | Q | 79.6 | Confident | 72 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 37% | 0.374 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 174.4 | -179.2 | 60.4 | 59.6 | 0 | 0 | 112.5 | P1088 S1089 Y1090 I1095 S1096 | P1088-Q1092 PolarHBondContact O-N 3.06Å; S1089-Q1092 PolarHBondContact O-N 2.88Å; Y1090-Q1092 PolarHBondContact O-N 3.2Å; Q1092-I1095 PolarHBondContact O-N 2.99Å; Q1092-S1096 PolarHBondContact O-N 2.85Å; Q1092-S1096 PolarHBondContact O-OG 3.36Å |
| 1093 | Q | 80.8 | Confident | 73.6 | Confident | 133 Ų | 133 | 63.9 Ų | 63.9 | 62% | 0.621 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.4 | -40.8 | 174.8 | -73.8 | 176.4 | 5.3 | 0 | 0 | 112.5 | S1089 Y1090 V1091 I1095 S1096 K1097 | S1089-Q1093 WeakPolarHBondContact O-CG 3.4Å; S1089-Q1093 PolarHBondContact O-N 3.11Å; Y1090-Q1093 PolarHBondContact O-N 3.18Å; V1091-Q1093 VanDerWaalsContact C-N 3.34Å; V1091-Q1093 PolarHBondContact O-N 2.91Å; Q1093-I1095 VanDerWaalsContact C-N 3.29Å; Q1093-I1095 PolarHBondContact O-N 2.83Å; Q1093-S1096 PolarHBondContact O-N 2.85Å; Q1093-K1097 PolarHBondContact O-N 2.87Å |
| 1094 | L | 81.5 | Confident | 75.4 | Confident | 42 Ų | 42 | 68.2 Ų | 68.2 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.1 | -39.4 | 173.2 | -70.2 | 177.4 | 0 | 0 | 0 | 111.7 | W1066 Y1090 V1091 H1098 L1171 | W1066-L1094 HydrophobicContact CB-CD1 3.95Å; W1066-L1094 HydrophobicContact CG-CD1 3.99Å; Y1090-L1094 HydrophobicContact CD1-CD1 4.27Å; Y1090-L1094 HydrophobicContact CE1-CD1 3.65Å; Y1090-L1094 HydrophobicContact CE1-CG 4.38Å; Y1090-L1094 HydrophobicContact CE2-CG 4.44Å; Y1090-L1094 PolarHBondContact O-N 3.05Å; Y1090-L1094 VanDerWaalsContact O-N 3.09Å; V1091-L1094 PolarHBondContact O-N 2.83Å; L1094-H1098 VanDerWaalsContact O-CB 3.28Å; L1094-H1098 WeakPolarHBondContact O-CB 3.11Å; L1094-H1098 PolarHBondContact O-N 3.31Å; L1094-L1171 HydrophobicContact CB-CD2 4.15Å; L1094-L1171 HydrophobicContact CD1-CD2 4.35Å |
| 1095 | I | 79.1 | Confident | 77.1 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 2% | 0.021 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -45.6 | 175.8 | -75.4 | 168.2 | 0 | 0 | 0 | 111.6 | V1091 Q1092 Q1093 H1098 I1099 K1168 L1171 Q1175 | V1091-I1095 HydrophobicContact CG1-CD1 4.18Å; V1091-I1095 WeakPolarHBondContact O-CG1 3.37Å; V1091-I1095 PolarHBondContact O-N 3.48Å; Q1092-I1095 PolarHBondContact O-N 2.99Å; Q1093-I1095 VanDerWaalsContact C-N 3.29Å; Q1093-I1095 PolarHBondContact O-N 2.83Å; I1095-H1098 PolarHBondContact O-N 2.9Å; I1095-I1099 HydrophobicContact CG2-CD1 4.06Å; I1095-I1099 WeakPolarHBondContact O-CG1 3.42Å; I1095-I1099 PolarHBondContact O-N 2.94Å; I1095-I1099 VanDerWaalsContact O-N 3.1Å; I1095-K1168 VanDerWaalsContact CG2-NZ 3.34Å; I1095-L1171 HydrophobicContact CD1-CB 4.19Å; I1095-L1171 HydrophobicContact CG1-CB 3.71Å; I1095-L1171 HydrophobicContact CG1-CD1 4.33Å; I1095-Q1175 HydrophobicContact CD1-CB 4.1Å |
| 1096 | S | 76.7 | Confident | 78.5 | Confident | 53 Ų | 53 | 59.3 Ų | 59.3 | 37% | 0.371 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.7 | -50.9 | 175.6 | -68.6 | 0 | 0 | 0 | 0 | 111.6 | Q1092 Q1093 H1098 I1099 D1100 | Q1092-S1096 PolarHBondContact O-N 2.85Å; Q1092-S1096 PolarHBondContact O-OG 3.36Å; Q1093-S1096 PolarHBondContact O-N 2.85Å; S1096-H1098 PolarHBondContact O-N 3.25Å; S1096-I1099 WeakPolarHBondContact O-CA 3.36Å; S1096-I1099 WeakPolarHBondContact O-CB 3.5Å; S1096-I1099 PolarHBondContact O-N 2.93Å; S1096-D1100 PolarHBondContact O-N 3.48Å |
| 1097 | K | 82.2 | Confident | 79.5 | Confident | 127 Ų | 127 | 63 Ų | 63 | 55% | 0.552 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -58.3 | -35.7 | 177.8 | -172 | -178.2 | 178.7 | -173.7 | 0 | 112.6 | Q1093 I1099 N1101 | Q1093-K1097 PolarHBondContact O-N 2.87Å; K1097-I1099 VanDerWaalsContact C-N 3.34Å; K1097-N1101 WeakPolarHBondContact O-CB 3.37Å; K1097-N1101 PolarHBondContact O-N 2.68Å; K1097-N1101 VanDerWaalsContact O-N 3.08Å |
| 1098 | H | 84.8 | Confident | 80.1 | Confident | 8 Ų | 8 | 62.8 Ų | 62.8 | 4% | 0.037 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -68.9 | -30.2 | 176.7 | -168.7 | 66.3 | 0 | 0 | 0 | 112.5 | Y1060 L1094 I1095 S1096 W1164 K1168 L1171 | Y1060-H1098 AromaticContact CD1-CE1 3.96Å; Y1060-H1098 AromaticContact CE1-CE1 3.53Å; Y1060-H1098 AromaticContact CE1-ND1 3.47Å; Y1060-H1098 WeakPolarHBondContact CE1-ND1 3.5Å; Y1060-H1098 AromaticContact CZ-CE1 3.75Å; Y1060-H1098 AromaticContact CZ-ND1 3.89Å; L1094-H1098 VanDerWaalsContact O-CB 3.28Å; L1094-H1098 WeakPolarHBondContact O-CB 3.11Å; L1094-H1098 PolarHBondContact O-N 3.31Å; I1095-H1098 PolarHBondContact O-N 2.9Å; S1096-H1098 PolarHBondContact O-N 3.25Å; H1098-W1164 AromaticContact CD2-CD1 3.68Å; H1098-W1164 AromaticContact CD2-CE2 3.81Å; H1098-W1164 AromaticContact CD2-NE1 3.29Å; H1098-W1164 PolarHBondContact CD2-NE1 2.72Å; H1098-W1164 VanDerWaalsContact CD2-NE1 3.29Å; H1098-W1164 AromaticContact CE1-CD1 3.28Å; H1098-W1164 AromaticContact CE1-CG 3.91Å; H1098-W1164 AromaticContact CE1-NE1 3.74Å; H1098-W1164 AromaticContact CG-NE1 3.82Å; H1098-W1164 AromaticContact ND1-CD1 3.92Å; H1098-W1164 AromaticContact NE2-CD1 3.13Å; H1098-W1164 AromaticContact NE2-CD2 3.94Å; H1098-W1164 AromaticContact NE2-CE2 3.75Å; H1098-W1164 AromaticContact NE2-CG 3.56Å; H1098-W1164 AromaticContact NE2-NE1 3.24Å; H1098-W1164 PolarHBondContact NE2-NE1 2.85Å; H1098-W1164 PolarHBondContact NE2-O 2.83Å; H1098-W1164 PolarHBondContact O-NE1 3.04Å; H1098-K1168 PolarHBondContact NE2-N 3.31Å; H1098-L1171 HydrophobicContact CB-CD1 4.09Å |
| 1099 | I | 82 | Confident | 80.8 | Confident | 63 Ų | 63 | 61.6 Ų | 61.6 | 32% | 0.323 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -75 | -48.6 | 172.6 | -65.9 | 163 | 0 | 0 | 0 | 110.4 | I1095 S1096 K1097 N1101 K1102 E1103 W1164 | I1095-I1099 HydrophobicContact CG2-CD1 4.06Å; I1095-I1099 WeakPolarHBondContact O-CG1 3.42Å; I1095-I1099 PolarHBondContact O-N 2.94Å; I1095-I1099 VanDerWaalsContact O-N 3.1Å; S1096-I1099 WeakPolarHBondContact O-CA 3.36Å; S1096-I1099 WeakPolarHBondContact O-CB 3.5Å; S1096-I1099 PolarHBondContact O-N 2.93Å; K1097-I1099 VanDerWaalsContact C-N 3.34Å; I1099-N1101 VanDerWaalsContact C-N 3.29Å; I1099-N1101 PolarHBondContact O-N 2.79Å; I1099-K1102 WeakPolarHBondContact O-CB 3.17Å; I1099-K1102 PolarHBondContact O-N 2.67Å; I1099-E1103 PolarHBondContact O-N 2.82Å; I1099-E1103 VanDerWaalsContact O-N 3.17Å; I1099-W1164 HydrophobicContact CG1-CZ2 4.41Å |
| 1100 | D | 80.2 | Confident | 81.2 | Confident | 75 Ų | 75 | 60.9 Ų | 60.9 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -56.3 | -42.5 | -180 | -61.6 | -18.1 | 0 | 0 | 0 | 112.2 | S1096 K1102 E1103 R1104 | S1096-D1100 PolarHBondContact O-N 3.48Å; D1100-K1102 VanDerWaalsContact C-N 3.31Å; D1100-K1102 PolarHBondContact O-N 3.16Å; D1100-E1103 PolarHBondContact O-N 2.66Å; D1100-R1104 VanDerWaalsContact O-CG 3.27Å; D1100-R1104 WeakPolarHBondContact O-CG 3.42Å; D1100-R1104 PolarHBondContact O-N 3.36Å; D1100-R1104 VanDerWaalsContact O-N 3.11Å |
| 1101 | N | 84 | Confident | 81.5 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 17% | 0.166 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -62.3 | -36.5 | 176.8 | -83.2 | 6.1 | 0 | 0 | 0 | 112.4 | L1056 K1097 I1099 F1105 | L1056-N1101 HydrophobicContact CD2-CB 4.08Å; K1097-N1101 WeakPolarHBondContact O-CB 3.37Å; K1097-N1101 PolarHBondContact O-N 2.68Å; K1097-N1101 VanDerWaalsContact O-N 3.08Å; I1099-N1101 VanDerWaalsContact C-N 3.29Å; I1099-N1101 PolarHBondContact O-N 2.79Å; N1101-F1105 WeakPolarHBondContact O-CD1 3.49Å; N1101-F1105 PolarHBondContact O-N 3.1Å |
| 1102 | K | 82.6 | Confident | 81.7 | Confident | 61 Ų | 61 | 64.7 Ų | 64.7 | 27% | 0.265 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | 175.9 | 170.3 | -178.2 | 170.1 | -169.6 | 0 | 111.4 | I1099 D1100 R1104 F1105 L1106 L1161 W1164 | I1099-K1102 WeakPolarHBondContact O-CB 3.17Å; I1099-K1102 PolarHBondContact O-N 2.67Å; D1100-K1102 VanDerWaalsContact C-N 3.31Å; D1100-K1102 PolarHBondContact O-N 3.16Å; K1102-R1104 VanDerWaalsContact C-N 3.3Å; K1102-R1104 PolarHBondContact O-N 2.7Å; K1102-F1105 HydrophobicContact CB-CE1 4.29Å; K1102-F1105 HydrophobicContact CG-CE1 4.26Å; K1102-F1105 WeakPolarHBondContact O-CD1 3.29Å; K1102-F1105 PolarHBondContact O-N 2.73Å; K1102-L1106 HydrophobicContact CD-CD1 4.31Å; K1102-L1106 HydrophobicContact CG-CD1 3.65Å; K1102-L1106 HydrophobicContact CG-CG 4.32Å; K1102-L1106 WeakPolarHBondContact O-CB 3.41Å; K1102-L1106 WeakPolarHBondContact O-CG 3.16Å; K1102-L1106 PolarHBondContact O-N 3.37Å; K1102-L1106 VanDerWaalsContact O-N 3.1Å; K1102-L1161 HydrophobicContact CD-CD2 4.41Å; K1102-W1164 HydrophobicContact CB-CZ2 4.49Å; K1102-W1164 HydrophobicContact CD-CD2 3.75Å; K1102-W1164 VanDerWaalsContact CD-CE2 3.48Å; K1102-W1164 HydrophobicContact CD-CE3 4Å; K1102-W1164 HydrophobicContact CD-CG 4.42Å; K1102-W1164 HydrophobicContact CD-CH2 3.85Å; K1102-W1164 HydrophobicContact CD-CZ2 3.55Å; K1102-W1164 HydrophobicContact CD-CZ3 4.06Å |
| 1103 | E | 78.4 | Confident | 82 | Confident | 92 Ų | 92 | 65.2 Ų | 65.2 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.8 | -42.3 | 179.3 | -75.8 | -161 | -145.1 | 0 | 0 | 112.1 | I1099 D1100 L1106 R1107 | I1099-E1103 PolarHBondContact O-N 2.82Å; I1099-E1103 VanDerWaalsContact O-N 3.17Å; D1100-E1103 PolarHBondContact O-N 2.66Å; E1103-L1106 PolarHBondContact O-N 3.09Å; E1103-R1107 WeakPolarHBondContact O-CB 3.45Å; E1103-R1107 VanDerWaalsContact O-CG 3.24Å; E1103-R1107 WeakPolarHBondContact O-CG 3.41Å; E1103-R1107 PolarHBondContact O-N 3.2Å; E1103-R1107 IonicContact OE2-CZ 2.79Å; E1103-R1107 IonicContact OE2-NE 3.01Å; E1103-R1107 IonicContact OE2-NH2 3.28Å; E1103-R1107 PolarHBondContact OE2-NH2 3.14Å |
| 1104 | R | 78.8 | Confident | 82 | Confident | 180 Ų | 180 | 65.2 Ų | 65.2 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.7 | -48 | -179 | -71.7 | 169.1 | -174.5 | -167.6 | 1.7 | 112.3 | D1100 K1102 G1108 | D1100-R1104 VanDerWaalsContact O-CG 3.27Å; D1100-R1104 WeakPolarHBondContact O-CG 3.42Å; D1100-R1104 PolarHBondContact O-N 3.36Å; D1100-R1104 VanDerWaalsContact O-N 3.11Å; K1102-R1104 VanDerWaalsContact C-N 3.3Å; K1102-R1104 PolarHBondContact O-N 2.7Å; R1104-G1108 PolarHBondContact O-N 2.75Å; R1104-G1108 VanDerWaalsContact O-N 3.15Å |
| 1105 | F | 84.6 | Confident | 82.3 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.009 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.3 | -36.5 | -179.8 | 93.1 | -102.5 | 0 | 0 | 0 | 112.6 | L1053 L1056 N1101 K1102 G1108 C1109 E1157 I1160 L1161 | L1053-F1105 HydrophobicContact CD2-CB 4.13Å; L1053-F1105 HydrophobicContact CD2-CD2 3.65Å; L1053-F1105 HydrophobicContact CD2-CE2 4.4Å; L1053-F1105 HydrophobicContact CD2-CG 4.15Å; L1056-F1105 HydrophobicContact CD1-CB 3.65Å; L1056-F1105 HydrophobicContact CD1-CD1 3.8Å; L1056-F1105 HydrophobicContact CD1-CG 3.96Å; N1101-F1105 WeakPolarHBondContact O-CD1 3.49Å; N1101-F1105 PolarHBondContact O-N 3.1Å; K1102-F1105 HydrophobicContact CB-CE1 4.29Å; K1102-F1105 HydrophobicContact CG-CE1 4.26Å; K1102-F1105 WeakPolarHBondContact O-CD1 3.29Å; K1102-F1105 PolarHBondContact O-N 2.73Å; F1105-G1108 CarbonylContact O-C 3.58Å; F1105-G1108 WeakPolarHBondContact O-CA 3.46Å; F1105-G1108 PolarHBondContact O-N 3.46Å; F1105-G1108 VanDerWaalsContact O-N 3.15Å; F1105-C1109 PolarHBondContact O-N 3.1Å; F1105-C1109 PolarHBondContact O-SG 2.66Å; F1105-E1157 HydrophobicContact CE2-CG 4.25Å; F1105-I1160 HydrophobicContact CD1-CG2 4.29Å; F1105-I1160 HydrophobicContact CE1-CG2 3.67Å; F1105-I1160 HydrophobicContact CE2-CG2 4.15Å; F1105-I1160 HydrophobicContact CZ-CB 4.23Å; F1105-I1160 HydrophobicContact CZ-CG2 3.59Å; F1105-L1161 HydrophobicContact CZ-CD2 4.1Å; F1105-L1161 HydrophobicContact CZ-CG 4.11Å |
| 1106 | L | 80.7 | Confident | 82.7 | Confident | 41 Ų | 41 | 63.7 Ų | 63.7 | 22% | 0.215 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -66.8 | -39.7 | 177.7 | -69.6 | 176.4 | 0 | 0 | 0 | 112.7 | K1102 E1103 G1108 T1110 E1157 L1161 | K1102-L1106 HydrophobicContact CD-CD1 4.31Å; K1102-L1106 HydrophobicContact CG-CD1 3.65Å; K1102-L1106 HydrophobicContact CG-CG 4.32Å; K1102-L1106 WeakPolarHBondContact O-CB 3.41Å; K1102-L1106 WeakPolarHBondContact O-CG 3.16Å; K1102-L1106 PolarHBondContact O-N 3.37Å; K1102-L1106 VanDerWaalsContact O-N 3.1Å; E1103-L1106 PolarHBondContact O-N 3.09Å; L1106-G1108 VanDerWaalsContact C-N 3.28Å; L1106-G1108 PolarHBondContact O-N 2.98Å; L1106-T1110 VanDerWaalsContact O-CB 3.32Å; L1106-T1110 WeakPolarHBondContact O-CB 3.24Å; L1106-T1110 PolarHBondContact O-N 3.41Å; L1106-T1110 PolarHBondContact O-OG1 2.77Å; L1106-E1157 HydrophobicContact CD2-CG 4.01Å; L1106-E1157 WeakPolarHBondContact CD2-OE1 3.42Å; L1106-L1161 HydrophobicContact CD1-CD2 4.32Å; L1106-L1161 HydrophobicContact CD2-CD1 4.33Å; L1106-L1161 HydrophobicContact CD2-CD2 4.33Å |
| 1107 | R | 80.3 | Confident | 83.1 | Confident | 174 Ų | 174 | 65.8 Ų | 65.8 | 66% | 0.657 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.2 | -41.1 | 170.6 | -70.2 | 175 | -166.6 | -132.7 | 9.1 | 110.4 | E1103 T1110 Y1111 | E1103-R1107 WeakPolarHBondContact O-CB 3.45Å; E1103-R1107 VanDerWaalsContact O-CG 3.24Å; E1103-R1107 WeakPolarHBondContact O-CG 3.41Å; E1103-R1107 PolarHBondContact O-N 3.2Å; E1103-R1107 IonicContact OE2-CZ 2.79Å; E1103-R1107 IonicContact OE2-NE 3.01Å; E1103-R1107 IonicContact OE2-NH2 3.28Å; E1103-R1107 PolarHBondContact OE2-NH2 3.14Å; R1107-T1110 PolarHBondContact O-N 3.28Å; R1107-Y1111 WeakPolarHBondContact O-CB 3.47Å; R1107-Y1111 PolarHBondContact O-N 3.08Å |
| 1108 | G | 84 | Confident | 83.2 | Confident | 11 Ų | 11 | 63.7 Ų | 63.7 | 11% | 0.113 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -60 | -54.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | M1049 R1104 F1105 L1106 T1110 Y1111 A1112 | M1049-G1108 WeakPolarHBondContact SD-CA 3.28Å; R1104-G1108 PolarHBondContact O-N 2.75Å; R1104-G1108 VanDerWaalsContact O-N 3.15Å; F1105-G1108 CarbonylContact O-C 3.58Å; F1105-G1108 WeakPolarHBondContact O-CA 3.46Å; F1105-G1108 PolarHBondContact O-N 3.46Å; F1105-G1108 VanDerWaalsContact O-N 3.15Å; L1106-G1108 VanDerWaalsContact C-N 3.28Å; L1106-G1108 PolarHBondContact O-N 2.98Å; G1108-T1110 VanDerWaalsContact C-N 3.26Å; G1108-T1110 PolarHBondContact O-N 3.01Å; G1108-Y1111 PolarHBondContact O-N 3.42Å; G1108-Y1111 VanDerWaalsContact O-N 3.14Å; G1108-A1112 PolarHBondContact O-N 3.37Å |
| 1109 | C | 85.1 | Confident | 83.6 | Confident | 0 Ų | 0 | 63.3 Ų | 63.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -58.3 | -37.6 | 175.8 | -70 | 0 | 0 | 0 | 0 | 112.2 | F1105 R1113 | F1105-C1109 PolarHBondContact O-N 3.1Å; F1105-C1109 PolarHBondContact O-SG 2.66Å; C1109-R1113 PolarHBondContact O-N 3.22Å; C1109-R1113 VanDerWaalsContact O-N 3.1Å |
| 1110 | T | 81.6 | Confident | 83.8 | Confident | 49 Ų | 49 | 60.3 Ų | 60.3 | 30% | 0.301 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.3 | -39.2 | 176.3 | -58.2 | 0 | 0 | 0 | 0 | 112 | L1106 R1107 G1108 R1113 K1114 | L1106-T1110 VanDerWaalsContact O-CB 3.32Å; L1106-T1110 WeakPolarHBondContact O-CB 3.24Å; L1106-T1110 PolarHBondContact O-N 3.41Å; L1106-T1110 PolarHBondContact O-OG1 2.77Å; R1107-T1110 PolarHBondContact O-N 3.28Å; G1108-T1110 VanDerWaalsContact C-N 3.26Å; G1108-T1110 PolarHBondContact O-N 3.01Å; T1110-R1113 PolarHBondContact O-N 3.21Å; T1110-K1114 WeakPolarHBondContact O-CG 3.46Å; T1110-K1114 PolarHBondContact O-N 2.85Å |
| 1111 | Y | 83.8 | Confident | 84.1 | Confident | 133 Ų | 133 | 63.3 Ų | 63.3 | 52% | 0.522 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -67.5 | -40.4 | 176 | -171.5 | -120.4 | 0 | 0 | 0 | 111.9 | T1045 R1107 G1108 R1113 K1114 N1115 | T1045-Y1111 HydrophobicContact CG2-CD1 3.62Å; T1045-Y1111 HydrophobicContact CG2-CE1 4.14Å; R1107-Y1111 WeakPolarHBondContact O-CB 3.47Å; R1107-Y1111 PolarHBondContact O-N 3.08Å; G1108-Y1111 PolarHBondContact O-N 3.42Å; G1108-Y1111 VanDerWaalsContact O-N 3.14Å; Y1111-R1113 PolarHBondContact O-N 3.35Å; Y1111-K1114 PolarHBondContact O-N 3.39Å; Y1111-N1115 WeakPolarHBondContact CE1-ND2 3.49Å; Y1111-N1115 VanDerWaalsContact CZ-ND2 3.33Å; Y1111-N1115 WeakPolarHBondContact O-CB 3.44Å; Y1111-N1115 VanDerWaalsContact O-CG 3.3Å; Y1111-N1115 PolarHBondContact O-N 3.21Å; Y1111-N1115 PolarHBondContact O-ND2 3.48Å |
| 1112 | A | 84.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -58.5 | -44.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | T1045 G1108 N1115 S1116 L1153 | T1045-A1112 HydrophobicContact CG2-CB 3.93Å; G1108-A1112 PolarHBondContact O-N 3.37Å; A1112-N1115 PolarHBondContact O-N 3.21Å; A1112-S1116 PolarHBondContact O-N 3.26Å; A1112-S1116 PolarHBondContact O-OG 3.19Å; A1112-L1153 HydrophobicContact CB-CD2 3.85Å |
| 1113 | R | 85.2 | Confident | 84.2 | Confident | 90 Ų | 90 | 60.9 Ų | 60.9 | 34% | 0.34 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62.1 | -45.9 | 174.7 | -76.9 | -172.8 | -101.5 | 126.9 | -8.9 | 112.8 | C1109 T1110 Y1111 N1115 S1116 D1117 L1150 E1157 | C1109-R1113 PolarHBondContact O-N 3.22Å; C1109-R1113 VanDerWaalsContact O-N 3.1Å; T1110-R1113 PolarHBondContact O-N 3.21Å; Y1111-R1113 PolarHBondContact O-N 3.35Å; R1113-N1115 VanDerWaalsContact C-N 3.31Å; R1113-N1115 PolarHBondContact O-N 3.47Å; R1113-S1116 WeakPolarHBondContact CA-OG 3.47Å; R1113-S1116 PolarHBondContact O-N 3.18Å; R1113-S1116 PolarHBondContact O-OG 3.47Å; R1113-D1117 PolarHBondContact O-N 3.12Å; R1113-L1150 HydrophobicContact CG-CD2 4.23Å; R1113-E1157 IonicContact CZ-OE2 3.24Å; R1113-E1157 IonicContact NE-OE2 2.9Å; R1113-E1157 IonicContact NH2-OE1 2.87Å; R1113-E1157 PolarHBondContact NH2-OE1 2.91Å; R1113-E1157 IonicContact NH2-OE2 2.72Å; R1113-E1157 PolarHBondContact NH2-OE2 3.25Å |
| 1114 | K | 81.5 | Confident | 84.3 | Confident | 134 Ų | 134 | 61.3 Ų | 61.3 | 58% | 0.583 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -60.2 | -41 | 176 | -73.1 | -177.2 | 178.2 | -175.7 | 0 | 111.7 | T1110 Y1111 D1117 I1118 | T1110-K1114 WeakPolarHBondContact O-CG 3.46Å; T1110-K1114 PolarHBondContact O-N 2.85Å; Y1111-K1114 PolarHBondContact O-N 3.39Å; K1114-D1117 PolarHBondContact O-N 3.42Å; K1114-I1118 WeakPolarHBondContact O-CD1 3.39Å; K1114-I1118 VanDerWaalsContact O-CG1 3.28Å; K1114-I1118 WeakPolarHBondContact O-CG1 3.42Å; K1114-I1118 PolarHBondContact O-N 2.94Å |
| 1115 | N | 88.1 | Confident | 84.2 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 8% | 0.075 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -70.7 | -34.5 | 179.1 | -67.4 | -16.7 | 0 | 0 | 0 | 112.9 | T1045 Y1111 A1112 R1113 F1119 | T1045-N1115 PolarHBondContact OG1-ND2 2.97Å; Y1111-N1115 WeakPolarHBondContact CE1-ND2 3.49Å; Y1111-N1115 VanDerWaalsContact CZ-ND2 3.33Å; Y1111-N1115 WeakPolarHBondContact O-CB 3.44Å; Y1111-N1115 VanDerWaalsContact O-CG 3.3Å; Y1111-N1115 PolarHBondContact O-N 3.21Å; Y1111-N1115 PolarHBondContact O-ND2 3.48Å; A1112-N1115 PolarHBondContact O-N 3.21Å; R1113-N1115 VanDerWaalsContact C-N 3.31Å; R1113-N1115 PolarHBondContact O-N 3.47Å; N1115-F1119 PolarHBondContact O-N 3.46Å; N1115-F1119 VanDerWaalsContact O-N 3.12Å |
| 1116 | S | 87.5 | Confident | 83.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.7 | -40.3 | 174 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | A1112 R1113 I1118 F1119 L1120 L1150 | A1112-S1116 PolarHBondContact O-N 3.26Å; A1112-S1116 PolarHBondContact O-OG 3.19Å; R1113-S1116 WeakPolarHBondContact CA-OG 3.47Å; R1113-S1116 PolarHBondContact O-N 3.18Å; R1113-S1116 PolarHBondContact O-OG 3.47Å; S1116-I1118 VanDerWaalsContact C-N 3.32Å; S1116-I1118 PolarHBondContact O-N 3.06Å; S1116-F1119 PolarHBondContact O-N 2.98Å; S1116-L1120 WeakPolarHBondContact O-CB 3.49Å; S1116-L1120 WeakPolarHBondContact O-CG 3.44Å; S1116-L1120 PolarHBondContact O-N 3.4Å; S1116-L1150 VanDerWaalsContact OG-CD1 3.31Å; S1116-L1150 WeakPolarHBondContact OG-CD1 3.45Å; S1116-L1150 VanDerWaalsContact OG-CD2 3.32Å; S1116-L1150 WeakPolarHBondContact OG-CD2 3.23Å |
| 1117 | D | 85 | Confident | 82.9 | Confident | 96 Ų | 96 | 61 Ų | 61 | 51% | 0.513 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -66.9 | -36.8 | -179.3 | -69.3 | -25.9 | 0 | 0 | 0 | 111.4 | R1113 K1114 K1121 | R1113-D1117 PolarHBondContact O-N 3.12Å; K1114-D1117 PolarHBondContact O-N 3.42Å; D1117-K1121 WeakPolarHBondContact O-CB 3.28Å; D1117-K1121 PolarHBondContact O-N 3.33Å |
| 1118 | I | 84.9 | Confident | 82 | Confident | 83 Ų | 83 | 62 Ų | 62 | 43% | 0.426 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 171.8 | -64.6 | 165.2 | 0 | 0 | 0 | 110.6 | K1114 S1116 K1121 Y1122 | K1114-I1118 WeakPolarHBondContact O-CD1 3.39Å; K1114-I1118 VanDerWaalsContact O-CG1 3.28Å; K1114-I1118 WeakPolarHBondContact O-CG1 3.42Å; K1114-I1118 PolarHBondContact O-N 2.94Å; S1116-I1118 VanDerWaalsContact C-N 3.32Å; S1116-I1118 PolarHBondContact O-N 3.06Å; I1118-K1121 WeakPolarHBondContact O-CB 3.38Å; I1118-K1121 PolarHBondContact O-N 3.12Å; I1118-Y1122 HydrophobicContact CG2-CD2 4.36Å; I1118-Y1122 HydrophobicContact CG2-CE2 3.94Å; I1118-Y1122 WeakPolarHBondContact O-CD2 3.15Å; I1118-Y1122 PolarHBondContact O-N 3.28Å |
| 1119 | F | 92.2 | Very high | 80.8 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 177.9 | 177.2 | -138.6 | 0 | 0 | 0 | 112.1 | V958 L1035 A1039 Y1042 Y1043 N1115 S1116 K1121 Y1122 V1123 V1142 V1146 | V958-F1119 HydrophobicContact CG1-CZ 4.39Å; L1035-F1119 HydrophobicContact CD2-CE2 4.28Å; L1035-F1119 HydrophobicContact CG-CE2 4.48Å; A1039-F1119 HydrophobicContact CB-CD2 3.78Å; A1039-F1119 HydrophobicContact CB-CE1 4.46Å; A1039-F1119 HydrophobicContact CB-CE2 3.41Å; A1039-F1119 VanDerWaalsContact CB-CE2 3.41Å; A1039-F1119 HydrophobicContact CB-CG 4.47Å; A1039-F1119 HydrophobicContact CB-CZ 3.79Å; Y1042-F1119 AromaticContact CD1-CD1 3.79Å; Y1042-F1119 HydrophobicContact CD1-CD1 3.79Å; Y1042-F1119 HydrophobicContact CD1-CE1 4.3Å; Y1042-F1119 HydrophobicContact CG-CD1 4.3Å; Y1043-F1119 AromaticContact CE2-CE1 3.93Å; Y1043-F1119 HydrophobicContact CE2-CE1 3.93Å; Y1043-F1119 HydrophobicContact CE2-CZ 4.3Å; N1115-F1119 PolarHBondContact O-N 3.46Å; N1115-F1119 VanDerWaalsContact O-N 3.12Å; S1116-F1119 PolarHBondContact O-N 2.98Å; F1119-K1121 VanDerWaalsContact C-N 3.28Å; F1119-K1121 PolarHBondContact O-N 3.5Å; F1119-Y1122 PolarHBondContact O-N 2.94Å; F1119-Y1122 VanDerWaalsContact O-N 3.11Å; F1119-V1123 HydrophobicContact CD2-CG2 3.85Å; F1119-V1123 HydrophobicContact CE1-CG2 4.37Å; F1119-V1123 HydrophobicContact CE2-CG2 3.41Å; F1119-V1123 VanDerWaalsContact CE2-CG2 3.41Å; F1119-V1123 HydrophobicContact CG-CG2 4.46Å; F1119-V1123 HydrophobicContact CZ-CG2 3.72Å; F1119-V1123 WeakPolarHBondContact O-CG2 3.39Å; F1119-V1123 PolarHBondContact O-N 2.76Å; F1119-V1142 HydrophobicContact CE1-CG1 3.92Å; F1119-V1142 HydrophobicContact CZ-CG1 3.88Å; F1119-V1146 HydrophobicContact CD1-CG2 4.1Å; F1119-V1146 HydrophobicContact CE1-CG2 3.92Å |
| 1120 | L | 87.4 | Confident | 79.2 | Confident | 1 Ų | 1 | 70.8 Ų | 70.8 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61 | -34 | 176.8 | -74.6 | 176 | 0 | 0 | 0 | 112.7 | S1116 Y1122 V1123 R1124 E1143 V1146 L1147 | S1116-L1120 WeakPolarHBondContact O-CB 3.49Å; S1116-L1120 WeakPolarHBondContact O-CG 3.44Å; S1116-L1120 PolarHBondContact O-N 3.4Å; L1120-Y1122 VanDerWaalsContact C-N 3.31Å; L1120-Y1122 PolarHBondContact O-N 3.18Å; L1120-V1123 PolarHBondContact O-N 2.97Å; L1120-R1124 VanDerWaalsContact O-CB 3.27Å; L1120-R1124 WeakPolarHBondContact O-CB 3.43Å; L1120-R1124 VanDerWaalsContact O-CG 3.23Å; L1120-R1124 WeakPolarHBondContact O-CG 3.49Å; L1120-R1124 PolarHBondContact O-N 3.46Å; L1120-E1143 HydrophobicContact CD2-CB 4.12Å; L1120-E1143 HydrophobicContact CD2-CG 3.96Å; L1120-V1146 HydrophobicContact CD1-CG1 3.91Å; L1120-V1146 HydrophobicContact CD2-CB 4.07Å; L1120-V1146 HydrophobicContact CD2-CG1 4.03Å; L1120-V1146 HydrophobicContact CG-CB 4.49Å; L1120-V1146 HydrophobicContact CG-CG1 3.89Å; L1120-L1147 HydrophobicContact CD1-CD2 3.95Å; L1120-L1147 HydrophobicContact CD1-CG 4.44Å |
| 1121 | K | 85.4 | Confident | 77.7 | Confident | 138 Ų | 138 | 75.6 Ų | 75.6 | 60% | 0.6 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -57 | -44.1 | 173.3 | -178.1 | 179.7 | 178.6 | 178.3 | 0 | 111.6 | D1117 I1118 F1119 R1125 | D1117-K1121 WeakPolarHBondContact O-CB 3.28Å; D1117-K1121 PolarHBondContact O-N 3.33Å; I1118-K1121 WeakPolarHBondContact O-CB 3.38Å; I1118-K1121 PolarHBondContact O-N 3.12Å; F1119-K1121 VanDerWaalsContact C-N 3.28Å; F1119-K1121 PolarHBondContact O-N 3.5Å; K1121-R1125 PolarHBondContact O-N 3.39Å; K1121-R1125 VanDerWaalsContact O-N 3.14Å |
| 1122 | Y | 84.8 | Confident | 76.1 | Confident | 41 Ų | 41 | 72.9 Ų | 72.9 | 16% | 0.161 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.5 | -41.8 | 178.7 | -66.8 | -67.2 | 0 | 0 | 0 | 112.6 | E1031 K1034 I1118 F1119 L1120 R1124 R1125 S1126 | E1031-Y1122 WeakPolarHBondContact OE2-CD1 3.26Å; K1034-Y1122 HydrophobicContact CB-CD1 3.93Å; K1034-Y1122 HydrophobicContact CB-CD2 4.33Å; K1034-Y1122 HydrophobicContact CB-CE1 3.57Å; K1034-Y1122 HydrophobicContact CB-CE2 4Å; K1034-Y1122 HydrophobicContact CB-CG 4.32Å; K1034-Y1122 HydrophobicContact CD-CE1 3.94Å; K1034-Y1122 HydrophobicContact CG-CE1 4.27Å; I1118-Y1122 HydrophobicContact CG2-CD2 4.36Å; I1118-Y1122 HydrophobicContact CG2-CE2 3.94Å; I1118-Y1122 WeakPolarHBondContact O-CD2 3.15Å; I1118-Y1122 PolarHBondContact O-N 3.28Å; F1119-Y1122 PolarHBondContact O-N 2.94Å; F1119-Y1122 VanDerWaalsContact O-N 3.11Å; L1120-Y1122 VanDerWaalsContact C-N 3.31Å; L1120-Y1122 PolarHBondContact O-N 3.18Å; Y1122-R1124 VanDerWaalsContact C-N 3.31Å; Y1122-R1124 PolarHBondContact O-N 2.93Å; Y1122-R1125 PolarHBondContact O-N 3.37Å; Y1122-R1125 VanDerWaalsContact O-N 3.08Å; Y1122-S1126 PolarHBondContact O-N 2.84Å; Y1122-S1126 PolarHBondContact O-OG 2.84Å |
| 1123 | V | 84.7 | Confident | 74.5 | Confident | 0 Ų | 0 | 81.2 Ų | 81.2 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -58 | -43.8 | 174.2 | 176.5 | 0 | 0 | 0 | 0 | 111.4 | V958 F1119 L1120 R1125 S1126 L1127 C1139 | V958-V1123 HydrophobicContact CG1-CG1 4.33Å; V958-V1123 HydrophobicContact CG1-CG2 3.81Å; F1119-V1123 HydrophobicContact CD2-CG2 3.85Å; F1119-V1123 HydrophobicContact CE1-CG2 4.37Å; F1119-V1123 HydrophobicContact CE2-CG2 3.41Å; F1119-V1123 VanDerWaalsContact CE2-CG2 3.41Å; F1119-V1123 HydrophobicContact CG-CG2 4.46Å; F1119-V1123 HydrophobicContact CZ-CG2 3.72Å; F1119-V1123 WeakPolarHBondContact O-CG2 3.39Å; F1119-V1123 PolarHBondContact O-N 2.76Å; L1120-V1123 PolarHBondContact O-N 2.97Å; V1123-R1125 VanDerWaalsContact C-N 3.33Å; V1123-R1125 PolarHBondContact O-N 2.83Å; V1123-S1126 PolarHBondContact O-N 2.88Å; V1123-L1127 PolarHBondContact O-N 3.46Å; V1123-C1139 HydrophobicContact CG1-CB 4.08Å |
| 1124 | R | 80.9 | Confident | 72.8 | Confident | 101 Ų | 101 | 81.8 Ų | 81.8 | 38% | 0.381 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -65.7 | -33.2 | 175.8 | -72.6 | 171.8 | -178.8 | 149.6 | 4.6 | 112.7 | L1120 Y1122 L1127 Y1128 E1143 | L1120-R1124 VanDerWaalsContact O-CB 3.27Å; L1120-R1124 WeakPolarHBondContact O-CB 3.43Å; L1120-R1124 VanDerWaalsContact O-CG 3.23Å; L1120-R1124 WeakPolarHBondContact O-CG 3.49Å; L1120-R1124 PolarHBondContact O-N 3.46Å; Y1122-R1124 VanDerWaalsContact C-N 3.31Å; Y1122-R1124 PolarHBondContact O-N 2.93Å; R1124-L1127 WeakPolarHBondContact O-CB 3.41Å; R1124-L1127 PolarHBondContact O-N 3.02Å; R1124-Y1128 WeakPolarHBondContact O-CD2 3.34Å; R1124-Y1128 WeakPolarHBondContact O-CE2 3.3Å; R1124-E1143 IonicContact CZ-OE1 3.54Å; R1124-E1143 IonicContact NE-OE1 3.15Å; R1124-E1143 PolarHBondContact NE-OE1 2.78Å; R1124-E1143 IonicContact NH2-OE1 2.72Å; R1124-E1143 PolarHBondContact NH2-OE1 2.67Å |
| 1125 | R | 76.8 | Confident | 71.4 | Confident | 146 Ų | 146 | 76.6 Ų | 76.6 | 55% | 0.551 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -70.9 | -32.9 | 175.4 | -161.1 | 164.2 | -180 | -158.4 | 6 | 112.2 | E1031 K1121 Y1122 V1123 Y1128 | E1031-R1125 IonicContact OE1-CZ 3.62Å; E1031-R1125 IonicContact OE1-NH1 3.81Å; E1031-R1125 PolarHBondContact OE1-NH1 2.72Å; E1031-R1125 VanDerWaalsContact OE2-CD 3.31Å; E1031-R1125 WeakPolarHBondContact OE2-CD 3.38Å; E1031-R1125 IonicContact OE2-CZ 3.95Å; E1031-R1125 IonicContact OE2-NE 2.9Å; E1031-R1125 IonicContact OE2-NH1 2.99Å; E1031-R1125 PolarHBondContact OE2-NH1 3.39Å; K1121-R1125 PolarHBondContact O-N 3.39Å; K1121-R1125 VanDerWaalsContact O-N 3.14Å; Y1122-R1125 PolarHBondContact O-N 3.37Å; Y1122-R1125 VanDerWaalsContact O-N 3.08Å; V1123-R1125 VanDerWaalsContact C-N 3.33Å; V1123-R1125 PolarHBondContact O-N 2.83Å; R1125-Y1128 PolarHBondContact O-N 2.9Å |
| 1126 | S | 70.8 | Confident | 70.1 | Confident | 32 Ų | 32 | 77.9 Ų | 77.9 | 22% | 0.224 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -66.5 | -30.1 | 171.5 | -63.1 | 0 | 0 | 0 | 0 | 113.8 | L1035 Y1122 V1123 Y1128 Q1129 | L1035-S1126 VanDerWaalsContact CD1-OG 3.29Å; L1035-S1126 WeakPolarHBondContact CD1-OG 3.48Å; Y1122-S1126 PolarHBondContact O-N 2.84Å; Y1122-S1126 PolarHBondContact O-OG 2.84Å; V1123-S1126 PolarHBondContact O-N 2.88Å; S1126-Y1128 PolarHBondContact O-N 3.2Å; S1126-Y1128 VanDerWaalsContact O-N 3.12Å; S1126-Q1129 PolarHBondContact O-N 2.87Å |
| 1127 | L | 67.1 | Low | 68.9 | Low | 38 Ų | 38 | 82.9 Ų | 82.9 | 20% | 0.199 | 41% | 0.407 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | -23.3 | 176.8 | -77.6 | 172.5 | 0 | 0 | 0 | 114.2 | V1123 R1124 V1136 C1139 K1140 | V1123-L1127 PolarHBondContact O-N 3.46Å; R1124-L1127 WeakPolarHBondContact O-CB 3.41Å; R1124-L1127 PolarHBondContact O-N 3.02Å; L1127-V1136 HydrophobicContact CD2-CG1 3.96Å; L1127-C1139 HydrophobicContact CD2-CB 3.35Å; L1127-C1139 HydrophobicContact CG-CB 3.83Å; L1127-K1140 HydrophobicContact CD2-CG 3.96Å |
| 1128 | Y | 60.8 | Low | 68.2 | Low | 195 Ų | 195 | 79.9 Ų | 79.9 | 77% | 0.765 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.4 | 5.8 | -177.8 | -66.7 | -80.1 | 0 | 0 | 0 | 114.2 | R1124 R1125 S1126 P1130 | R1124-Y1128 WeakPolarHBondContact O-CD2 3.34Å; R1124-Y1128 WeakPolarHBondContact O-CE2 3.3Å; R1125-Y1128 PolarHBondContact O-N 2.9Å; S1126-Y1128 PolarHBondContact O-N 3.2Å; S1126-Y1128 VanDerWaalsContact O-N 3.12Å; Y1128-P1130 WeakPolarHBondContact O-CD 3.36Å |
| 1129 | Q | 58.7 | Low | 67.7 | Low | 70 Ų | 70 | 76 Ų | 76 | 33% | 0.327 | 37% | 0.374 | S | S | . | . | trans | -80.9 | 115.5 | 175.8 | -65.9 | -170 | -0.3 | 0 | 0 | 110.9 | L1028 S1126 Q1131 | L1028-Q1129 VanDerWaalsContact CD2-NE2 3.35Å; S1126-Q1129 PolarHBondContact O-N 2.87Å; Q1129-Q1131 VanDerWaalsContact C-N 3.27Å; Q1129-Q1131 PolarHBondContact O-N 2.88Å; Q1129-Q1131 VanDerWaalsContact O-N 3.11Å | ||
| 1130 | P | 50.4 | Low | 67 | Low | 126 Ų | 126 | 82.1 Ų | 82.1 | 82% | 0.818 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -14.2 | -165.9 | -24 | 35.3 | 0 | 0 | 0 | 116.8 | Y1128 | Y1128-P1130 WeakPolarHBondContact O-CD 3.36Š|
| 1131 | Q | 51.3 | Low | 66.6 | Low | 150 Ų | 150 | 87.8 Ų | 87.8 | 70% | 0.701 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | -3.9 | -159 | -72.7 | 171.2 | -55.6 | 0 | 0 | 115.8 | Q1129 | Q1129-Q1131 VanDerWaalsContact C-N 3.27Å; Q1129-Q1131 PolarHBondContact O-N 2.88Å; Q1129-Q1131 VanDerWaalsContact O-N 3.11Å |
| 1132 | Q | 50.6 | Low | 66.6 | Low | 76 Ų | 76 | 81.4 Ų | 81.4 | 36% | 0.355 | 40% | 0.399 | S | S | . | . | trans | -136.9 | 84.5 | -175.7 | -65.7 | -165.7 | -8.9 | 0 | 0 | 113.5 | S1134 A1135 V1136 | Q1132-S1134 PolarHBondContact O-N 3.11Å; Q1132-A1135 HydrophobicContact CB-CB 3.96Å; Q1132-A1135 PolarHBondContact O-N 2.69Å; Q1132-A1135 VanDerWaalsContact O-N 3.08Å; Q1132-V1136 PolarHBondContact O-N 2.9Å | ||
| 1133 | Q | 50.5 | Low | 66.5 | Low | 175 Ų | 175 | 81.1 Ų | 81.1 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -56.2 | -32.6 | 177.3 | -69.2 | -179.5 | -10.8 | 0 | 0 | 113.6 | V1136 | Q1133-V1136 PolarHBondContact O-N 3.31Å |
| 1134 | S | 48.6 | Very low | 66.3 | Low | 101 Ų | 101 | 83.9 Ų | 83.9 | 71% | 0.706 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.3 | -44.4 | 175.6 | -174.4 | 0 | 0 | 0 | 0 | 112.5 | Q1132 V1136 I1137 | Q1132-S1134 PolarHBondContact O-N 3.11Å; S1134-V1136 VanDerWaalsContact C-N 3.3Å; S1134-V1136 PolarHBondContact O-N 2.96Å; S1134-I1137 PolarHBondContact O-N 3.32Å |
| 1135 | A | 53.7 | Low | 66.4 | Low | 25 Ų | 25 | 85.1 Ų | 85.1 | 21% | 0.207 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.3 | -34.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q1132 I1137 S1138 C1139 | Q1132-A1135 HydrophobicContact CB-CB 3.96Å; Q1132-A1135 PolarHBondContact O-N 2.69Å; Q1132-A1135 VanDerWaalsContact O-N 3.08Å; A1135-I1137 VanDerWaalsContact C-N 3.27Å; A1135-I1137 PolarHBondContact O-N 3Å; A1135-S1138 WeakPolarHBondContact O-CB 3.47Å; A1135-S1138 PolarHBondContact O-N 2.77Å; A1135-C1139 PolarHBondContact O-N 2.84Å; A1135-C1139 PolarHBondContact O-SG 3.12Å |
| 1136 | V | 59.4 | Low | 66.9 | Low | 41 Ų | 41 | 78.1 Ų | 78.1 | 25% | 0.248 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.7 | -35 | 178.4 | 176.7 | 0 | 0 | 0 | 0 | 112.2 | L1127 Q1132 Q1133 S1134 K1140 | L1127-V1136 HydrophobicContact CD2-CG1 3.96Å; Q1132-V1136 PolarHBondContact O-N 2.9Å; Q1133-V1136 PolarHBondContact O-N 3.31Å; S1134-V1136 VanDerWaalsContact C-N 3.3Å; S1134-V1136 PolarHBondContact O-N 2.96Å; V1136-K1140 WeakPolarHBondContact O-CG 3.4Å; V1136-K1140 PolarHBondContact O-N 3.21Å |
| 1137 | I | 64.1 | Low | 67.6 | Low | 105 Ų | 105 | 80.4 Ų | 80.4 | 54% | 0.538 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -69.7 | -47 | 177.6 | -59.1 | 174.2 | 0 | 0 | 0 | 110.1 | S1134 A1135 K1140 Q1141 | S1134-I1137 PolarHBondContact O-N 3.32Å; A1135-I1137 VanDerWaalsContact C-N 3.27Å; A1135-I1137 PolarHBondContact O-N 3Å; I1137-K1140 PolarHBondContact O-N 2.76Å; I1137-Q1141 WeakPolarHBondContact O-CG 3.24Å; I1137-Q1141 PolarHBondContact O-N 2.93Å; I1137-Q1141 VanDerWaalsContact O-N 3.15Å |
| 1138 | S | 68.5 | Low | 68.4 | Low | 34 Ų | 34 | 85.6 Ų | 85.6 | 24% | 0.238 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -56.2 | -49.7 | 174.1 | 165 | 0 | 0 | 0 | 0 | 111.7 | A1135 K1140 Q1141 V1142 | A1135-S1138 WeakPolarHBondContact O-CB 3.47Å; A1135-S1138 PolarHBondContact O-N 2.77Å; S1138-K1140 PolarHBondContact O-N 3.48Å; S1138-Q1141 PolarHBondContact O-N 3.26Å; S1138-Q1141 VanDerWaalsContact O-N 3.16Å; S1138-V1142 WeakPolarHBondContact O-CG2 3.5Å; S1138-V1142 PolarHBondContact O-N 2.76Å |
| 1139 | C | 75.4 | Confident | 69.5 | Low | 2 Ų | 2 | 78 Ų | 78 | 1% | 0.014 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -54.3 | -47.9 | 179.3 | -67.3 | 0 | 0 | 0 | 0 | 112.5 | V958 V1123 L1127 A1135 Q1141 V1142 E1143 | V958-C1139 VanDerWaalsContact CG2-SG 3.55Å; V1123-C1139 HydrophobicContact CG1-CB 4.08Å; L1127-C1139 HydrophobicContact CD2-CB 3.35Å; L1127-C1139 HydrophobicContact CG-CB 3.83Å; A1135-C1139 PolarHBondContact O-N 2.84Å; A1135-C1139 PolarHBondContact O-SG 3.12Å; C1139-Q1141 PolarHBondContact O-N 3.45Å; C1139-V1142 PolarHBondContact O-N 2.77Å; C1139-E1143 PolarHBondContact O-N 2.83Å |
| 1140 | K | 77 | Confident | 70.7 | Confident | 128 Ų | 128 | 76 Ų | 76 | 56% | 0.557 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -67 | -35.5 | -179.7 | -70.4 | -177.8 | -179.2 | -178.4 | 0 | 112.8 | L1127 V1136 I1137 S1138 A1144 | L1127-K1140 HydrophobicContact CD2-CG 3.96Å; V1136-K1140 WeakPolarHBondContact O-CG 3.4Å; V1136-K1140 PolarHBondContact O-N 3.21Å; I1137-K1140 PolarHBondContact O-N 2.76Å; S1138-K1140 PolarHBondContact O-N 3.48Å; K1140-A1144 WeakPolarHBondContact O-CB 3.12Å; K1140-A1144 PolarHBondContact O-N 3.28Å; K1140-A1144 VanDerWaalsContact O-N 3.08Å |
| 1141 | Q | 78.6 | Confident | 72.2 | Confident | 120 Ų | 120 | 73.8 Ų | 73.8 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -68.7 | -38.9 | 175.7 | -71.1 | 176.6 | -4.5 | 0 | 0 | 112 | I1137 S1138 C1139 R1145 | I1137-Q1141 WeakPolarHBondContact O-CG 3.24Å; I1137-Q1141 PolarHBondContact O-N 2.93Å; I1137-Q1141 VanDerWaalsContact O-N 3.15Å; S1138-Q1141 PolarHBondContact O-N 3.26Å; S1138-Q1141 VanDerWaalsContact O-N 3.16Å; C1139-Q1141 PolarHBondContact O-N 3.45Å; Q1141-R1145 WeakPolarHBondContact O-CG 3.37Å; Q1141-R1145 PolarHBondContact O-N 2.94Å; Q1141-R1145 VanDerWaalsContact O-N 3.16Å |
| 1142 | V | 85.3 | Confident | 73.8 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.018 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -67.6 | -46.4 | 175 | 174.9 | 0 | 0 | 0 | 0 | 111.1 | V958 P959 F1119 S1138 C1139 A1144 R1145 V1146 | V958-V1142 HydrophobicContact CB-CG2 4.49Å; V958-V1142 HydrophobicContact CG1-CB 4.16Å; V958-V1142 HydrophobicContact CG1-CG1 4.06Å; V958-V1142 HydrophobicContact CG1-CG2 4.07Å; P959-V1142 WeakPolarHBondContact O-CG1 3.43Å; F1119-V1142 HydrophobicContact CE1-CG1 3.92Å; F1119-V1142 HydrophobicContact CZ-CG1 3.88Å; S1138-V1142 WeakPolarHBondContact O-CG2 3.5Å; S1138-V1142 PolarHBondContact O-N 2.76Å; C1139-V1142 PolarHBondContact O-N 2.77Å; V1142-A1144 VanDerWaalsContact C-N 3.33Å; V1142-A1144 PolarHBondContact O-N 2.9Å; V1142-R1145 PolarHBondContact O-N 2.83Å; V1142-R1145 VanDerWaalsContact O-N 3.17Å; V1142-V1146 HydrophobicContact CG1-CG2 4.27Å; V1142-V1146 WeakPolarHBondContact O-CG2 3.13Å; V1142-V1146 PolarHBondContact O-N 2.84Å |
| 1143 | E | 83.6 | Confident | 75.5 | Confident | 36 Ų | 36 | 67.5 Ų | 67.5 | 17% | 0.168 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.7 | -46.9 | 175.8 | 172.4 | 165.3 | -150.2 | 0 | 0 | 111.9 | L1120 R1124 C1139 R1145 V1146 L1147 | L1120-E1143 HydrophobicContact CD2-CB 4.12Å; L1120-E1143 HydrophobicContact CD2-CG 3.96Å; R1124-E1143 IonicContact CZ-OE1 3.54Å; R1124-E1143 IonicContact NE-OE1 3.15Å; R1124-E1143 PolarHBondContact NE-OE1 2.78Å; R1124-E1143 IonicContact NH2-OE1 2.72Å; R1124-E1143 PolarHBondContact NH2-OE1 2.67Å; C1139-E1143 PolarHBondContact O-N 2.83Å; E1143-R1145 PolarHBondContact O-N 2.95Å; E1143-V1146 PolarHBondContact O-N 2.88Å; E1143-L1147 HydrophobicContact CG-CD1 3.8Å; E1143-L1147 HydrophobicContact CG-CG 4.4Å; E1143-L1147 WeakPolarHBondContact O-CG 3.36Å; E1143-L1147 PolarHBondContact O-N 3.12Å |
| 1144 | A | 80.5 | Confident | 77 | Confident | 57 Ų | 57 | 64.9 Ų | 64.9 | 47% | 0.471 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1140 V1142 Q1148 | K1140-A1144 WeakPolarHBondContact O-CB 3.12Å; K1140-A1144 PolarHBondContact O-N 3.28Å; K1140-A1144 VanDerWaalsContact O-N 3.08Å; V1142-A1144 VanDerWaalsContact C-N 3.33Å; V1142-A1144 PolarHBondContact O-N 2.9Å; A1144-Q1148 WeakPolarHBondContact O-CB 3.48Å; A1144-Q1148 PolarHBondContact O-N 3.23Å |
| 1145 | R | 83.6 | Confident | 78.7 | Confident | 127 Ų | 127 | 63.7 Ų | 63.7 | 48% | 0.479 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -42.3 | 176 | -77.1 | -178.9 | 176.3 | 179.9 | 3.6 | 112.9 | S960 Q1141 V1142 E1143 Q1148 S1149 | S960-R1145 PolarHBondContact OG-NH1 3.45Å; Q1141-R1145 WeakPolarHBondContact O-CG 3.37Å; Q1141-R1145 PolarHBondContact O-N 2.94Å; Q1141-R1145 VanDerWaalsContact O-N 3.16Å; V1142-R1145 PolarHBondContact O-N 2.83Å; V1142-R1145 VanDerWaalsContact O-N 3.17Å; E1143-R1145 PolarHBondContact O-N 2.95Å; R1145-Q1148 PolarHBondContact O-N 3.26Å; R1145-S1149 PolarHBondContact O-N 2.95Å; R1145-S1149 PolarHBondContact O-OG 3.3Å |
| 1146 | V | 86.4 | Confident | 80 | Confident | 0 Ų | 0 | 64.5 Ų | 64.5 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.5 | -48 | 177.9 | 174.3 | 0 | 0 | 0 | 0 | 110 | Y1042 F1119 L1120 V1142 E1143 Q1148 S1149 L1150 | Y1042-V1146 HydrophobicContact CE1-CG1 4.16Å; Y1042-V1146 HydrophobicContact CE1-CG2 3.88Å; F1119-V1146 HydrophobicContact CD1-CG2 4.1Å; F1119-V1146 HydrophobicContact CE1-CG2 3.92Å; L1120-V1146 HydrophobicContact CD1-CG1 3.91Å; L1120-V1146 HydrophobicContact CD2-CB 4.07Å; L1120-V1146 HydrophobicContact CD2-CG1 4.03Å; L1120-V1146 HydrophobicContact CG-CB 4.49Å; L1120-V1146 HydrophobicContact CG-CG1 3.89Å; V1142-V1146 HydrophobicContact CG1-CG2 4.27Å; V1142-V1146 WeakPolarHBondContact O-CG2 3.13Å; V1142-V1146 PolarHBondContact O-N 2.84Å; E1143-V1146 PolarHBondContact O-N 2.88Å; V1146-Q1148 VanDerWaalsContact C-N 3.33Å; V1146-Q1148 PolarHBondContact O-N 2.94Å; V1146-S1149 WeakPolarHBondContact O-CB 3.46Å; V1146-S1149 PolarHBondContact O-N 2.85Å; V1146-S1149 VanDerWaalsContact O-N 3.1Å; V1146-L1150 HydrophobicContact CG1-CD1 4.3Å; V1146-L1150 WeakPolarHBondContact O-CG 3.3Å; V1146-L1150 PolarHBondContact O-N 3.01Å |
| 1147 | L | 85.7 | Confident | 81.1 | Confident | 80 Ų | 80 | 63.6 Ų | 63.6 | 42% | 0.419 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.6 | -39 | 177.7 | -66.9 | 171.3 | 0 | 0 | 0 | 112.3 | L1120 E1143 L1150 E1151 | L1120-L1147 HydrophobicContact CD1-CD2 3.95Å; L1120-L1147 HydrophobicContact CD1-CG 4.44Å; E1143-L1147 HydrophobicContact CG-CD1 3.8Å; E1143-L1147 HydrophobicContact CG-CG 4.4Å; E1143-L1147 WeakPolarHBondContact O-CG 3.36Å; E1143-L1147 PolarHBondContact O-N 3.12Å; L1147-L1150 PolarHBondContact O-N 2.88Å; L1147-E1151 PolarHBondContact O-N 3.19Å; L1147-E1151 VanDerWaalsContact O-N 3.08Å |
| 1148 | Q | 82.9 | Confident | 81.9 | Confident | 146 Ų | 146 | 62.6 Ų | 62.6 | 68% | 0.682 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.2 | -39.5 | 173.3 | -173.3 | 180 | 14.1 | 0 | 0 | 112.4 | A1144 R1145 V1146 E1151 H1152 | A1144-Q1148 WeakPolarHBondContact O-CB 3.48Å; A1144-Q1148 PolarHBondContact O-N 3.23Å; R1145-Q1148 PolarHBondContact O-N 3.26Å; V1146-Q1148 VanDerWaalsContact C-N 3.33Å; V1146-Q1148 PolarHBondContact O-N 2.94Å; Q1148-E1151 PolarHBondContact O-N 3.3Å; Q1148-H1152 PolarHBondContact O-N 3.28Å |
| 1149 | S | 84.2 | Confident | 82.6 | Confident | 36 Ų | 36 | 65 Ų | 65 | 25% | 0.252 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.4 | -38.7 | 177.2 | -55.6 | 0 | 0 | 0 | 0 | 112 | Y1042 R1145 V1146 H1152 L1153 | Y1042-S1149 WeakPolarHBondContact OH-CB 3.47Å; R1145-S1149 PolarHBondContact O-N 2.95Å; R1145-S1149 PolarHBondContact O-OG 3.3Å; V1146-S1149 WeakPolarHBondContact O-CB 3.46Å; V1146-S1149 PolarHBondContact O-N 2.85Å; V1146-S1149 VanDerWaalsContact O-N 3.1Å; S1149-H1152 PolarHBondContact O-N 2.83Å; S1149-L1153 WeakPolarHBondContact O-CB 3.29Å; S1149-L1153 PolarHBondContact O-N 3.09Å |
| 1150 | L | 84.9 | Confident | 83.1 | Confident | 27 Ų | 27 | 65 Ų | 65 | 14% | 0.141 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -68.7 | -37.3 | 176.5 | -65.6 | 174.7 | 0 | 0 | 0 | 112.7 | R1113 S1116 V1146 L1147 L1153 R1154 | R1113-L1150 HydrophobicContact CG-CD2 4.23Å; S1116-L1150 VanDerWaalsContact OG-CD1 3.31Å; S1116-L1150 WeakPolarHBondContact OG-CD1 3.45Å; S1116-L1150 VanDerWaalsContact OG-CD2 3.32Å; S1116-L1150 WeakPolarHBondContact OG-CD2 3.23Å; V1146-L1150 HydrophobicContact CG1-CD1 4.3Å; V1146-L1150 WeakPolarHBondContact O-CG 3.3Å; V1146-L1150 PolarHBondContact O-N 3.01Å; L1147-L1150 PolarHBondContact O-N 2.88Å; L1150-L1153 PolarHBondContact O-N 2.74Å; L1150-R1154 WeakPolarHBondContact O-CB 3.38Å; L1150-R1154 PolarHBondContact O-N 2.91Å |
| 1151 | E | 82.2 | Confident | 83.1 | Confident | 81 Ų | 81 | 61 Ų | 61 | 38% | 0.379 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 174.3 | -178.4 | 59.7 | -171 | 0 | 0 | 111.5 | L1147 Q1148 L1153 R1154 I1155 | L1147-E1151 PolarHBondContact O-N 3.19Å; L1147-E1151 VanDerWaalsContact O-N 3.08Å; Q1148-E1151 PolarHBondContact O-N 3.3Å; E1151-L1153 PolarHBondContact O-N 3.02Å; E1151-R1154 PolarHBondContact O-N 2.64Å; E1151-R1154 IonicContact OE1-CZ 2.64Å; E1151-R1154 IonicContact OE1-NE 2.66Å; E1151-R1154 IonicContact OE1-NH2 2.67Å; E1151-R1154 PolarHBondContact OE1-NH2 3.09Å; E1151-R1154 IonicContact OE2-CZ 2.68Å; E1151-R1154 IonicContact OE2-NE 3.67Å; E1151-R1154 PolarHBondContact OE2-NE 2.73Å; E1151-R1154 IonicContact OE2-NH2 3.29Å; E1151-R1154 PolarHBondContact OE2-NH2 2.91Å; E1151-I1155 HydrophobicContact CG-CD1 4.03Å; E1151-I1155 VanDerWaalsContact O-CG1 3.29Å; E1151-I1155 WeakPolarHBondContact O-CG1 3.34Å; E1151-I1155 PolarHBondContact O-N 3.11Å |
| 1152 | H | 84.4 | Confident | 83.2 | Confident | 91 Ų | 91 | 58.7 Ų | 58.7 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -60.6 | -44.3 | 172.2 | -178.6 | -108.7 | 0 | 0 | 0 | 112.1 | Q1148 S1149 R1154 I1155 R1156 | Q1148-H1152 PolarHBondContact O-N 3.28Å; S1149-H1152 PolarHBondContact O-N 2.83Å; H1152-R1154 PolarHBondContact O-N 3.31Å; H1152-I1155 PolarHBondContact O-N 3.43Å; H1152-R1156 PolarHBondContact O-N 3.02Å; H1152-R1156 VanDerWaalsContact O-N 3.1Å |
| 1153 | L | 85.6 | Confident | 83.2 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60 | -44.6 | 174.7 | -171.9 | 71.8 | 0 | 0 | 0 | 111.4 | L1053 A1112 S1149 L1150 E1151 I1155 R1156 E1157 | L1053-L1153 HydrophobicContact CD1-CD1 3.65Å; A1112-L1153 HydrophobicContact CB-CD2 3.85Å; S1149-L1153 WeakPolarHBondContact O-CB 3.29Å; S1149-L1153 PolarHBondContact O-N 3.09Å; L1150-L1153 PolarHBondContact O-N 2.74Å; E1151-L1153 PolarHBondContact O-N 3.02Å; L1153-I1155 PolarHBondContact O-N 3.16Å; L1153-R1156 PolarHBondContact O-N 2.68Å; L1153-E1157 VanDerWaalsContact O-CB 3.31Å; L1153-E1157 WeakPolarHBondContact O-CB 3.18Å; L1153-E1157 PolarHBondContact O-N 2.79Å |
| 1154 | R | 83.2 | Confident | 83.4 | Confident | 121 Ų | 121 | 59.8 Ų | 59.8 | 46% | 0.457 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -63.4 | -39.9 | 178.2 | -168.7 | -174.2 | 74.3 | 84.4 | 0.7 | 112.1 | L1150 E1151 H1152 N1158 | L1150-R1154 WeakPolarHBondContact O-CB 3.38Å; L1150-R1154 PolarHBondContact O-N 2.91Å; E1151-R1154 PolarHBondContact O-N 2.64Å; E1151-R1154 IonicContact OE1-CZ 2.64Å; E1151-R1154 IonicContact OE1-NE 2.66Å; E1151-R1154 IonicContact OE1-NH2 2.67Å; E1151-R1154 PolarHBondContact OE1-NH2 3.09Å; E1151-R1154 IonicContact OE2-CZ 2.68Å; E1151-R1154 IonicContact OE2-NE 3.67Å; E1151-R1154 PolarHBondContact OE2-NE 2.73Å; E1151-R1154 IonicContact OE2-NH2 3.29Å; E1151-R1154 PolarHBondContact OE2-NH2 2.91Å; H1152-R1154 PolarHBondContact O-N 3.31Å; R1154-N1158 PolarHBondContact O-N 2.9Å; R1154-N1158 VanDerWaalsContact O-N 3.16Å; R1154-N1158 PolarHBondContact O-ND2 3.04Å |
| 1155 | I | 83.4 | Confident | 83.3 | Confident | 76 Ų | 76 | 60.6 Ų | 60.6 | 39% | 0.39 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.7 | -48.7 | 177.7 | -70.6 | 165.1 | 0 | 0 | 0 | 110.1 | E1151 H1152 L1153 E1157 N1158 Q1159 | E1151-I1155 HydrophobicContact CG-CD1 4.03Å; E1151-I1155 VanDerWaalsContact O-CG1 3.29Å; E1151-I1155 WeakPolarHBondContact O-CG1 3.34Å; E1151-I1155 PolarHBondContact O-N 3.11Å; H1152-I1155 PolarHBondContact O-N 3.43Å; L1153-I1155 PolarHBondContact O-N 3.16Å; I1155-E1157 PolarHBondContact O-N 2.87Å; I1155-N1158 PolarHBondContact O-N 3.04Å; I1155-Q1159 WeakPolarHBondContact O-CG 3.49Å; I1155-Q1159 PolarHBondContact O-N 3.42Å |
| 1156 | R | 81.5 | Confident | 83.1 | Confident | 42 Ų | 42 | 59.4 Ų | 59.4 | 16% | 0.158 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 175.4 | -79.7 | -174.2 | 161.2 | -153.2 | -14 | 113.1 | L1053 D1054 H1152 L1153 N1158 Q1159 I1160 | L1053-R1156 HydrophobicContact CD1-CB 4.24Å; D1054-R1156 IonicContact OD1-CZ 3.31Å; D1054-R1156 IonicContact OD1-NH1 3.31Å; D1054-R1156 PolarHBondContact OD1-NH1 2.79Å; D1054-R1156 IonicContact OD1-NH2 2.74Å; D1054-R1156 PolarHBondContact OD1-NH2 2.75Å; D1054-R1156 IonicContact OD2-CZ 3.72Å; D1054-R1156 IonicContact OD2-NH1 2.95Å; D1054-R1156 PolarHBondContact OD2-NH1 3.11Å; D1054-R1156 IonicContact OD2-NH2 2.71Å; H1152-R1156 PolarHBondContact O-N 3.02Å; H1152-R1156 VanDerWaalsContact O-N 3.1Å; L1153-R1156 PolarHBondContact O-N 2.68Å; R1156-N1158 VanDerWaalsContact C-N 3.28Å; R1156-N1158 PolarHBondContact O-N 3.48Å; R1156-Q1159 PolarHBondContact O-N 2.6Å; R1156-I1160 WeakPolarHBondContact O-CB 3.27Å; R1156-I1160 WeakPolarHBondContact O-CG1 3.24Å; R1156-I1160 PolarHBondContact O-N 3.49Å |
| 1157 | E | 83 | Confident | 83 | Confident | 21 Ų | 21 | 60.7 Ų | 60.7 | 10% | 0.098 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -54.3 | -44.9 | 175.5 | -178.3 | 175.2 | 177 | 0 | 0 | 111.2 | F1105 L1106 R1113 L1153 I1155 L1161 | F1105-E1157 HydrophobicContact CE2-CG 4.25Å; L1106-E1157 HydrophobicContact CD2-CG 4.01Å; L1106-E1157 WeakPolarHBondContact CD2-OE1 3.42Å; R1113-E1157 IonicContact CZ-OE2 3.24Å; R1113-E1157 IonicContact NE-OE2 2.9Å; R1113-E1157 IonicContact NH2-OE1 2.87Å; R1113-E1157 PolarHBondContact NH2-OE1 2.91Å; R1113-E1157 IonicContact NH2-OE2 2.72Å; R1113-E1157 PolarHBondContact NH2-OE2 3.25Å; L1153-E1157 VanDerWaalsContact O-CB 3.31Å; L1153-E1157 WeakPolarHBondContact O-CB 3.18Å; L1153-E1157 PolarHBondContact O-N 2.79Å; I1155-E1157 PolarHBondContact O-N 2.87Å; E1157-L1161 HydrophobicContact CG-CD1 4.4Å; E1157-L1161 WeakPolarHBondContact O-CB 3.41Å; E1157-L1161 VanDerWaalsContact O-CG 3.24Å; E1157-L1161 WeakPolarHBondContact O-CG 3.1Å; E1157-L1161 PolarHBondContact O-N 3.09Å |
| 1158 | N | 79.6 | Confident | 82.9 | Confident | 85 Ų | 85 | 59 Ų | 59 | 46% | 0.455 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -72.8 | -37.6 | 178 | -76.7 | -84.8 | 0 | 0 | 0 | 113.4 | R1154 I1155 R1156 L1161 S1162 | R1154-N1158 PolarHBondContact O-N 2.9Å; R1154-N1158 VanDerWaalsContact O-N 3.16Å; R1154-N1158 PolarHBondContact O-ND2 3.04Å; I1155-N1158 PolarHBondContact O-N 3.04Å; R1156-N1158 VanDerWaalsContact C-N 3.28Å; R1156-N1158 PolarHBondContact O-N 3.48Å; N1158-L1161 PolarHBondContact O-N 3.19Å; N1158-S1162 PolarHBondContact O-N 2.86Å |
| 1159 | Q | 84.3 | Confident | 82.6 | Confident | 85 Ų | 85 | 60.8 Ų | 60.8 | 40% | 0.397 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60.4 | -49.8 | 174.7 | -73.5 | 168.3 | -47.3 | 0 | 0 | 110.9 | I1155 R1156 L1161 S1162 L1163 | I1155-Q1159 WeakPolarHBondContact O-CG 3.49Å; I1155-Q1159 PolarHBondContact O-N 3.42Å; R1156-Q1159 PolarHBondContact O-N 2.6Å; Q1159-L1161 PolarHBondContact O-N 3.39Å; Q1159-S1162 WeakPolarHBondContact O-CB 3.32Å; Q1159-S1162 PolarHBondContact O-N 3.23Å; Q1159-S1162 VanDerWaalsContact O-N 3.1Å; Q1159-S1162 PolarHBondContact O-OG 3.36Å; Q1159-L1163 PolarHBondContact O-N 2.89Å; Q1159-L1163 VanDerWaalsContact O-N 3.08Å |
| 1160 | I | 84.9 | Confident | 82.4 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.6 | -37.5 | 179.4 | -68 | 165 | 0 | 0 | 0 | 111.3 | L1053 L1056 E1057 Y1060 F1105 R1156 S1162 L1163 W1164 | L1053-I1160 HydrophobicContact CB-CD1 3.61Å; L1053-I1160 HydrophobicContact CD2-CD1 3.71Å; L1053-I1160 HydrophobicContact CG-CD1 4.19Å; L1053-I1160 WeakPolarHBondContact O-CD1 3.29Å; L1056-I1160 HydrophobicContact CB-CG2 4.41Å; E1057-I1160 HydrophobicContact CB-CG1 4.37Å; Y1060-I1160 HydrophobicContact CD2-CG2 4.06Å; Y1060-I1160 HydrophobicContact CE2-CG2 3.83Å; F1105-I1160 HydrophobicContact CD1-CG2 4.29Å; F1105-I1160 HydrophobicContact CE1-CG2 3.67Å; F1105-I1160 HydrophobicContact CE2-CG2 4.15Å; F1105-I1160 HydrophobicContact CZ-CB 4.23Å; F1105-I1160 HydrophobicContact CZ-CG2 3.59Å; R1156-I1160 WeakPolarHBondContact O-CB 3.27Å; R1156-I1160 WeakPolarHBondContact O-CG1 3.24Å; R1156-I1160 PolarHBondContact O-N 3.49Å; I1160-S1162 VanDerWaalsContact C-N 3.32Å; I1160-S1162 PolarHBondContact O-N 3.43Å; I1160-L1163 PolarHBondContact O-N 2.91Å; I1160-W1164 WeakPolarHBondContact O-CB 3.25Å; I1160-W1164 PolarHBondContact O-N 3.11Å |
| 1161 | L | 77.5 | Confident | 82.2 | Confident | 43 Ų | 43 | 60.8 Ų | 60.8 | 23% | 0.225 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.2 | -37.1 | 171.7 | -77.6 | 171.3 | 0 | 0 | 0 | 112.8 | K1102 F1105 L1106 E1157 N1158 Q1159 T1165 | K1102-L1161 HydrophobicContact CD-CD2 4.41Å; F1105-L1161 HydrophobicContact CZ-CD2 4.1Å; F1105-L1161 HydrophobicContact CZ-CG 4.11Å; L1106-L1161 HydrophobicContact CD1-CD2 4.32Å; L1106-L1161 HydrophobicContact CD2-CD1 4.33Å; L1106-L1161 HydrophobicContact CD2-CD2 4.33Å; E1157-L1161 HydrophobicContact CG-CD1 4.4Å; E1157-L1161 WeakPolarHBondContact O-CB 3.41Å; E1157-L1161 VanDerWaalsContact O-CG 3.24Å; E1157-L1161 WeakPolarHBondContact O-CG 3.1Å; E1157-L1161 PolarHBondContact O-N 3.09Å; N1158-L1161 PolarHBondContact O-N 3.19Å; Q1159-L1161 PolarHBondContact O-N 3.39Å; L1161-T1165 WeakPolarHBondContact O-CB 3.37Å; L1161-T1165 PolarHBondContact O-N 3.13Å; L1161-T1165 PolarHBondContact O-OG1 2.84Å |
| 1162 | S | 81.4 | Confident | 82.2 | Confident | 72 Ų | 72 | 59 Ų | 59 | 50% | 0.503 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -67.9 | -44.4 | 176.9 | 80.8 | 0 | 0 | 0 | 0 | 112.1 | N1158 Q1159 I1160 T1165 K1166 | N1158-S1162 PolarHBondContact O-N 2.86Å; Q1159-S1162 WeakPolarHBondContact O-CB 3.32Å; Q1159-S1162 PolarHBondContact O-N 3.23Å; Q1159-S1162 VanDerWaalsContact O-N 3.1Å; Q1159-S1162 PolarHBondContact O-OG 3.36Å; I1160-S1162 VanDerWaalsContact C-N 3.32Å; I1160-S1162 PolarHBondContact O-N 3.43Å; S1162-T1165 PolarHBondContact O-N 3.14Å; S1162-K1166 PolarHBondContact O-N 3.13Å |
| 1163 | L | 84.8 | Confident | 82.1 | Confident | 31 Ų | 31 | 56.8 Ų | 56.8 | 16% | 0.162 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.1 | -42 | 176.2 | -66.1 | 174.1 | 0 | 0 | 0 | 111.4 | E1057 Y1060 Q1061 Q1159 I1160 T1165 K1166 K1167 | E1057-L1163 HydrophobicContact CG-CD1 4.05Å; Y1060-L1163 HydrophobicContact CD2-CB 4.29Å; Q1061-L1163 HydrophobicContact CG-CD1 4.02Å; Q1061-L1163 HydrophobicContact CG-CD2 4.49Å; Q1159-L1163 PolarHBondContact O-N 2.89Å; Q1159-L1163 VanDerWaalsContact O-N 3.08Å; I1160-L1163 PolarHBondContact O-N 2.91Å; L1163-T1165 VanDerWaalsContact C-N 3.3Å; L1163-T1165 PolarHBondContact O-N 2.85Å; L1163-K1166 PolarHBondContact O-N 2.88Å; L1163-K1167 WeakPolarHBondContact O-CB 3.21Å; L1163-K1167 PolarHBondContact O-N 3.41Å |
| 1164 | W | 86.6 | Confident | 82 | Confident | 31 Ų | 31 | 56.7 Ų | 56.7 | 12% | 0.117 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -56.4 | -44.5 | 173.3 | 178.8 | 88.3 | 0 | 0 | 0 | 111.6 | Y1060 H1098 I1099 K1102 I1160 K1167 K1168 | Y1060-W1164 HydrophobicContact CD2-CB 4.12Å; Y1060-W1164 HydrophobicContact CE2-CB 3.79Å; Y1060-W1164 AromaticContact CE2-CD1 3.92Å; Y1060-W1164 HydrophobicContact CE2-CG 4.3Å; Y1060-W1164 AromaticContact CZ-CD1 3.87Å; H1098-W1164 AromaticContact CD2-CD1 3.68Å; H1098-W1164 AromaticContact CD2-CE2 3.81Å; H1098-W1164 AromaticContact CD2-NE1 3.29Å; H1098-W1164 PolarHBondContact CD2-NE1 2.72Å; H1098-W1164 VanDerWaalsContact CD2-NE1 3.29Å; H1098-W1164 AromaticContact CE1-CD1 3.28Å; H1098-W1164 AromaticContact CE1-CG 3.91Å; H1098-W1164 AromaticContact CE1-NE1 3.74Å; H1098-W1164 AromaticContact CG-NE1 3.82Å; H1098-W1164 AromaticContact ND1-CD1 3.92Å; H1098-W1164 AromaticContact NE2-CD1 3.13Å; H1098-W1164 AromaticContact NE2-CD2 3.94Å; H1098-W1164 AromaticContact NE2-CE2 3.75Å; H1098-W1164 AromaticContact NE2-CG 3.56Å; H1098-W1164 AromaticContact NE2-NE1 3.24Å; H1098-W1164 PolarHBondContact NE2-NE1 2.85Å; H1098-W1164 PolarHBondContact NE2-O 2.83Å; H1098-W1164 PolarHBondContact O-NE1 3.04Å; I1099-W1164 HydrophobicContact CG1-CZ2 4.41Å; K1102-W1164 HydrophobicContact CB-CZ2 4.49Å; K1102-W1164 HydrophobicContact CD-CD2 3.75Å; K1102-W1164 VanDerWaalsContact CD-CE2 3.48Å; K1102-W1164 HydrophobicContact CD-CE3 4Å; K1102-W1164 HydrophobicContact CD-CG 4.42Å; K1102-W1164 HydrophobicContact CD-CH2 3.85Å; K1102-W1164 HydrophobicContact CD-CZ2 3.55Å; K1102-W1164 HydrophobicContact CD-CZ3 4.06Å; I1160-W1164 WeakPolarHBondContact O-CB 3.25Å; I1160-W1164 PolarHBondContact O-N 3.11Å; W1164-K1167 PolarHBondContact O-N 2.99Å; W1164-K1168 HydrophobicContact CH2-CB 4.44Å; W1164-K1168 HydrophobicContact CH2-CG 4.21Å; W1164-K1168 HydrophobicContact CZ2-CB 4.47Å; W1164-K1168 HydrophobicContact CZ2-CG 4.43Å; W1164-K1168 WeakPolarHBondContact O-CB 3.45Å; W1164-K1168 PolarHBondContact O-N 3.48Å |
| 1165 | T | 78.7 | Confident | 82.1 | Confident | 74 Ų | 74 | 53 Ų | 53 | 45% | 0.454 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -66.8 | -43 | 179.7 | -55.7 | 0 | 0 | 0 | 0 | 111.3 | L1161 S1162 L1163 K1167 K1168 R1169 | L1161-T1165 WeakPolarHBondContact O-CB 3.37Å; L1161-T1165 PolarHBondContact O-N 3.13Å; L1161-T1165 PolarHBondContact O-OG1 2.84Å; S1162-T1165 PolarHBondContact O-N 3.14Å; L1163-T1165 VanDerWaalsContact C-N 3.3Å; L1163-T1165 PolarHBondContact O-N 2.85Å; T1165-K1167 PolarHBondContact O-N 2.91Å; T1165-K1168 PolarHBondContact O-N 3Å; T1165-R1169 PolarHBondContact O-N 2.98Å; T1165-R1169 VanDerWaalsContact O-N 3.08Å |
| 1166 | K | 79.9 | Confident | 82 | Confident | 102 Ų | 102 | 54.2 Ų | 54.2 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 173.5 | -175.9 | -172 | 171.5 | -162.9 | 0 | 111.7 | E1063 S1162 L1163 R1170 | E1063-K1166 WeakPolarHBondContact OE1-CE 3.05Å; E1063-K1166 IonicContact OE1-NZ 2.81Å; E1063-K1166 PolarHBondContact OE1-NZ 2.69Å; S1162-K1166 PolarHBondContact O-N 3.13Å; L1163-K1166 PolarHBondContact O-N 2.88Å; K1166-R1170 PolarHBondContact O-N 3.49Å |
| 1167 | K | 84.6 | Confident | 82.1 | Confident | 28 Ų | 28 | 52.8 Ų | 52.8 | 12% | 0.122 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71 | -40.7 | 179.5 | -174.5 | 168.2 | 176.5 | -177.2 | 0 | 112.3 | D1059 Y1060 W1066 L1163 W1164 T1165 R1170 L1171 | D1059-K1167 PolarHBondContact O-NZ 2.87Å; Y1060-K1167 HydrophobicContact CD1-CD 3.64Å; Y1060-K1167 HydrophobicContact CE1-CD 4.31Å; Y1060-K1167 HydrophobicContact CG-CD 4.26Å; W1066-K1167 HydrophobicContact CH2-CG 4.06Å; W1066-K1167 HydrophobicContact CZ2-CD 4.46Å; W1066-K1167 HydrophobicContact CZ2-CG 4.23Å; L1163-K1167 WeakPolarHBondContact O-CB 3.21Å; L1163-K1167 PolarHBondContact O-N 3.41Å; W1164-K1167 PolarHBondContact O-N 2.99Å; T1165-K1167 PolarHBondContact O-N 2.91Å; K1167-R1170 PolarHBondContact O-N 2.96Å; K1167-L1171 HydrophobicContact CG-CD1 4.3Å; K1167-L1171 WeakPolarHBondContact O-CG 3.39Å; K1167-L1171 PolarHBondContact O-N 3.07Å |
| 1168 | K | 83 | Confident | 82.1 | Confident | 43 Ų | 43 | 51.9 Ų | 51.9 | 19% | 0.187 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.9 | -53.8 | 175.6 | 174.8 | 52.2 | 178.6 | 163.9 | 0 | 111.2 | I1095 H1098 W1164 T1165 R1170 L1171 D1172 | I1095-K1168 VanDerWaalsContact CG2-NZ 3.34Å; H1098-K1168 PolarHBondContact NE2-N 3.31Å; W1164-K1168 HydrophobicContact CH2-CB 4.44Å; W1164-K1168 HydrophobicContact CH2-CG 4.21Å; W1164-K1168 HydrophobicContact CZ2-CB 4.47Å; W1164-K1168 HydrophobicContact CZ2-CG 4.43Å; W1164-K1168 WeakPolarHBondContact O-CB 3.45Å; W1164-K1168 PolarHBondContact O-N 3.48Å; T1165-K1168 PolarHBondContact O-N 3Å; K1168-R1170 PolarHBondContact O-N 2.85Å; K1168-R1170 VanDerWaalsContact O-N 3.14Å; K1168-L1171 WeakPolarHBondContact O-CB 3.39Å; K1168-L1171 PolarHBondContact O-N 2.94Å; K1168-D1172 WeakPolarHBondContact CD-OD2 3.39Å; K1168-D1172 VanDerWaalsContact CE-OD1 3.26Å; K1168-D1172 WeakPolarHBondContact CE-OD1 3.49Å; K1168-D1172 WeakPolarHBondContact CE-OD2 3.34Å; K1168-D1172 IonicContact NZ-OD1 2.8Å; K1168-D1172 PolarHBondContact NZ-OD1 3.21Å; K1168-D1172 IonicContact NZ-OD2 2.7Å; K1168-D1172 VanDerWaalsContact O-CG 3.28Å; K1168-D1172 PolarHBondContact O-N 3.43Å; K1168-D1172 VanDerWaalsContact O-OD2 3.08Å |
| 1169 | R | 78 | Confident | 82.2 | Confident | 184 Ų | 184 | 52.2 Ų | 52.2 | 69% | 0.694 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -55.2 | -35.3 | 178 | 178.2 | 177 | -79.6 | 175 | -4.9 | 113.1 | T1165 Q1173 | T1165-R1169 PolarHBondContact O-N 2.98Å; T1165-R1169 VanDerWaalsContact O-N 3.08Å; R1169-Q1173 WeakPolarHBondContact O-CG 3.45Å; R1169-Q1173 PolarHBondContact O-N 3.35Å |
| 1170 | R | 79 | Confident | 82.1 | Confident | 61 Ų | 61 | 48.2 Ų | 48.2 | 23% | 0.23 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -74.9 | -37.5 | 174.8 | -76.7 | 175.1 | 162.5 | 169.9 | -11.5 | 113.5 | E1063 W1066 K1166 K1167 K1168 D1172 Q1173 C1174 | E1063-R1170 IonicContact OE1-CZ 3.29Å; E1063-R1170 IonicContact OE1-NH1 3.56Å; E1063-R1170 PolarHBondContact OE1-NH1 3.45Å; E1063-R1170 IonicContact OE1-NH2 2.63Å; E1063-R1170 PolarHBondContact OE1-NH2 3.44Å; E1063-R1170 IonicContact OE2-CZ 2.83Å; E1063-R1170 IonicContact OE2-NH1 3.1Å; E1063-R1170 PolarHBondContact OE2-NH1 3.48Å; E1063-R1170 VanDerWaalsContact OE2-NH1 3.15Å; E1063-R1170 IonicContact OE2-NH2 2.65Å; E1063-R1170 PolarHBondContact OE2-NH2 2.99Å; W1066-R1170 HydrophobicContact CH2-CB 4.49Å; W1066-R1170 HydrophobicContact CZ3-CB 3.96Å; K1166-R1170 PolarHBondContact O-N 3.49Å; K1167-R1170 PolarHBondContact O-N 2.96Å; K1168-R1170 PolarHBondContact O-N 2.85Å; K1168-R1170 VanDerWaalsContact O-N 3.14Å; R1170-D1172 VanDerWaalsContact C-N 3.27Å; R1170-D1172 PolarHBondContact O-N 2.93Å; R1170-Q1173 WeakPolarHBondContact O-CB 3.34Å; R1170-Q1173 PolarHBondContact O-N 2.75Å; R1170-C1174 PolarHBondContact O-N 2.82Å; R1170-C1174 PolarHBondContact O-SG 3.06Å |
| 1171 | L | 81.6 | Confident | 82 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -63.4 | -36.3 | 172.6 | -74.7 | 168.2 | 0 | 0 | 0 | 111.1 | W1066 L1094 I1095 H1098 K1167 K1168 C1174 Q1175 | W1066-L1171 HydrophobicContact CD2-CD2 3.72Å; W1066-L1171 HydrophobicContact CE3-CD2 3.62Å; W1066-L1171 HydrophobicContact CE3-CG 4.25Å; W1066-L1171 HydrophobicContact CG-CD2 4.19Å; W1066-L1171 HydrophobicContact CZ3-CD2 4.05Å; W1066-L1171 HydrophobicContact CZ3-CG 4.18Å; L1094-L1171 HydrophobicContact CB-CD2 4.15Å; L1094-L1171 HydrophobicContact CD1-CD2 4.35Å; I1095-L1171 HydrophobicContact CD1-CB 4.19Å; I1095-L1171 HydrophobicContact CG1-CB 3.71Å; I1095-L1171 HydrophobicContact CG1-CD1 4.33Å; H1098-L1171 HydrophobicContact CB-CD1 4.09Å; K1167-L1171 HydrophobicContact CG-CD1 4.3Å; K1167-L1171 WeakPolarHBondContact O-CG 3.39Å; K1167-L1171 PolarHBondContact O-N 3.07Å; K1168-L1171 WeakPolarHBondContact O-CB 3.39Å; K1168-L1171 PolarHBondContact O-N 2.94Å; L1171-C1174 WeakPolarHBondContact O-CA 3.48Å; L1171-C1174 VanDerWaalsContact O-CB 3.31Å; L1171-C1174 WeakPolarHBondContact O-CB 3.25Å; L1171-C1174 PolarHBondContact O-N 2.98Å; L1171-C1174 VanDerWaalsContact O-N 3.1Å; L1171-Q1175 PolarHBondContact O-N 2.94Å |
| 1172 | D | 81.7 | Confident | 81.9 | Confident | 44 Ų | 44 | 49.9 Ų | 49.9 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -63.1 | -46.8 | 173.8 | -62.2 | -36.7 | 0 | 0 | 0 | 111.3 | K1168 R1170 C1174 Q1175 E1176 | K1168-D1172 WeakPolarHBondContact CD-OD2 3.39Å; K1168-D1172 VanDerWaalsContact CE-OD1 3.26Å; K1168-D1172 WeakPolarHBondContact CE-OD1 3.49Å; K1168-D1172 WeakPolarHBondContact CE-OD2 3.34Å; K1168-D1172 IonicContact NZ-OD1 2.8Å; K1168-D1172 PolarHBondContact NZ-OD1 3.21Å; K1168-D1172 IonicContact NZ-OD2 2.7Å; K1168-D1172 VanDerWaalsContact O-CG 3.28Å; K1168-D1172 PolarHBondContact O-N 3.43Å; K1168-D1172 VanDerWaalsContact O-OD2 3.08Å; R1170-D1172 VanDerWaalsContact C-N 3.27Å; R1170-D1172 PolarHBondContact O-N 2.93Å; D1172-C1174 PolarHBondContact O-N 2.69Å; D1172-Q1175 PolarHBondContact O-N 3.06Å; D1172-E1176 WeakPolarHBondContact O-CG 3.28Å; D1172-E1176 PolarHBondContact O-N 2.91Å |
| 1173 | Q | 82.6 | Confident | 81.9 | Confident | 44 Ų | 44 | 48.2 Ų | 48.2 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.4 | -25.4 | 170.5 | -72.5 | 176 | -25.8 | 0 | 0 | 113.8 | R1169 R1170 Y1177 H1250 | R1169-Q1173 WeakPolarHBondContact O-CG 3.45Å; R1169-Q1173 PolarHBondContact O-N 3.35Å; R1170-Q1173 WeakPolarHBondContact O-CB 3.34Å; R1170-Q1173 PolarHBondContact O-N 2.75Å; Q1173-Y1177 WeakPolarHBondContact O-CB 3.46Å; Q1173-Y1177 PolarHBondContact O-N 2.89Å; Q1173-H1250 WeakPolarHBondContact CB-NE2 3.16Å; Q1173-H1250 PolarHBondContact O-CE1 2.92Å; Q1173-H1250 PolarHBondContact O-NE2 2.99Å |
| 1174 | C | 83.8 | Confident | 81.8 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -75 | -43.3 | 171.3 | -60.5 | 0 | 0 | 0 | 0 | 111 | V1091 R1170 L1171 D1172 Y1177 V1178 | V1091-C1174 HydrophobicContact CG1-CB 3.88Å; V1091-C1174 HydrophobicContact CG2-CB 4.47Å; R1170-C1174 PolarHBondContact O-N 2.82Å; R1170-C1174 PolarHBondContact O-SG 3.06Å; L1171-C1174 WeakPolarHBondContact O-CA 3.48Å; L1171-C1174 VanDerWaalsContact O-CB 3.31Å; L1171-C1174 WeakPolarHBondContact O-CB 3.25Å; L1171-C1174 PolarHBondContact O-N 2.98Å; L1171-C1174 VanDerWaalsContact O-N 3.1Å; D1172-C1174 PolarHBondContact O-N 2.69Å; C1174-Y1177 PolarHBondContact O-N 2.83Å; C1174-V1178 WeakPolarHBondContact O-CG2 3.3Å; C1174-V1178 PolarHBondContact O-N 2.81Å |
| 1175 | Q | 84.6 | Confident | 81.6 | Confident | 44 Ų | 44 | 47.3 Ų | 47.3 | 21% | 0.206 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -64.9 | -47.3 | 179.2 | -177.8 | 167.3 | 18 | 0 | 0 | 111.6 | V1091 I1095 L1171 D1172 Y1177 V1178 L1179 | V1091-Q1175 HydrophobicContact CG1-CB 3.99Å; I1095-Q1175 HydrophobicContact CD1-CB 4.1Å; L1171-Q1175 PolarHBondContact O-N 2.94Å; D1172-Q1175 PolarHBondContact O-N 3.06Å; Q1175-Y1177 VanDerWaalsContact C-N 3.31Å; Q1175-Y1177 PolarHBondContact O-N 2.98Å; Q1175-V1178 PolarHBondContact O-N 3.26Å; Q1175-L1179 HydrophobicContact CG-CD1 4Å; Q1175-L1179 WeakPolarHBondContact O-CB 3.3Å; Q1175-L1179 VanDerWaalsContact O-CG 3.28Å; Q1175-L1179 WeakPolarHBondContact O-CG 3.15Å; Q1175-L1179 PolarHBondContact O-N 3.32Å |
| 1176 | E | 81.1 | Confident | 81.7 | Confident | 101 Ų | 101 | 50.7 Ų | 50.7 | 47% | 0.472 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.1 | -43.5 | 176 | -67.5 | 178.7 | 161.6 | 0 | 0 | 111.3 | D1172 L1179 L1180 M1243 | D1172-E1176 WeakPolarHBondContact O-CG 3.28Å; D1172-E1176 PolarHBondContact O-N 2.91Å; E1176-L1179 PolarHBondContact O-N 2.92Å; E1176-L1180 WeakPolarHBondContact O-CB 3.35Å; E1176-L1180 PolarHBondContact O-N 2.76Å; E1176-M1243 HydrophobicContact CB-CE 3.39Å; E1176-M1243 HydrophobicContact CB-SD 4.07Å |
| 1177 | Y | 82.7 | Confident | 82 | Confident | 11 Ų | 11 | 46.4 Ų | 46.4 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -65.7 | -44.3 | 178.8 | 156.3 | -105.6 | 0 | 0 | 0 | 112.8 | C1067 Q1173 C1174 Q1175 L1179 L1180 E1181 H1252 D1255 I1256 | C1067-Y1177 HydrophobicContact CB-CE1 4.2Å; Q1173-Y1177 WeakPolarHBondContact O-CB 3.46Å; Q1173-Y1177 PolarHBondContact O-N 2.89Å; C1174-Y1177 PolarHBondContact O-N 2.83Å; Q1175-Y1177 VanDerWaalsContact C-N 3.31Å; Q1175-Y1177 PolarHBondContact O-N 2.98Å; Y1177-L1179 VanDerWaalsContact C-N 3.31Å; Y1177-L1179 PolarHBondContact O-N 2.92Å; Y1177-L1180 WeakPolarHBondContact O-CB 3.39Å; Y1177-L1180 PolarHBondContact O-N 2.85Å; Y1177-E1181 WeakPolarHBondContact O-CB 3.28Å; Y1177-E1181 PolarHBondContact O-N 2.68Å; Y1177-H1252 WeakPolarHBondContact CB-ND1 3.41Å; Y1177-H1252 HydrophobicContact CD1-CB 3.97Å; Y1177-H1252 AromaticContact CD1-CD2 3.47Å; Y1177-H1252 VanDerWaalsContact CD1-CD2 3.47Å; Y1177-H1252 WeakPolarHBondContact CD1-CD2 2.9Å; Y1177-H1252 AromaticContact CD1-CE1 3.52Å; Y1177-H1252 AromaticContact CD1-CG 3.32Å; Y1177-H1252 AromaticContact CD1-ND1 3.35Å; Y1177-H1252 VanDerWaalsContact CD1-ND1 3.35Å; Y1177-H1252 WeakPolarHBondContact CD1-ND1 3.4Å; Y1177-H1252 AromaticContact CD1-NE2 3.59Å; Y1177-H1252 HydrophobicContact CD2-CB 3.37Å; Y1177-H1252 AromaticContact CD2-CG 3.73Å; Y1177-H1252 HydrophobicContact CE1-CB 4.22Å; Y1177-H1252 AromaticContact CE1-CD2 3.35Å; Y1177-H1252 WeakPolarHBondContact CE1-CD2 3.35Å; Y1177-H1252 AromaticContact CE1-CG 3.64Å; Y1177-H1252 AromaticContact CE1-NE2 3.67Å; Y1177-H1252 HydrophobicContact CE2-CB 3.65Å; Y1177-H1252 HydrophobicContact CG-CB 3.52Å; Y1177-H1252 AromaticContact CG-CD2 3.97Å; Y1177-H1252 AromaticContact CG-CG 3.35Å; Y1177-H1252 AromaticContact CG-ND1 3.41Å; Y1177-H1252 AromaticContact CZ-CD2 3.75Å; Y1177-H1252 AromaticContact CZ-CG 3.94Å; Y1177-D1255 HydrophobicContact CE2-CB 3.58Å; Y1177-D1255 PolarHBondContact OH-OD2 3.38Å; Y1177-I1256 HydrophobicContact CD2-CD1 4.38Å; Y1177-I1256 HydrophobicContact CD2-CG1 3.84Å |
| 1178 | V | 83.8 | Confident | 82 | Confident | 2 Ų | 2 | 46.6 Ų | 46.6 | 1% | 0.012 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -70.1 | -31.2 | -178.9 | 174.2 | 0 | 0 | 0 | 0 | 111.3 | K1087 P1088 V1091 C1174 Q1175 A1182 | K1087-V1178 HydrophobicContact CB-CG1 3.76Å; K1087-V1178 HydrophobicContact CD-CG1 3.98Å; K1087-V1178 HydrophobicContact CD-CG2 3.99Å; K1087-V1178 HydrophobicContact CG-CG1 3.72Å; K1087-V1178 HydrophobicContact CG-CG2 4Å; P1088-V1178 HydrophobicContact CB-CG1 3.97Å; P1088-V1178 HydrophobicContact CG-CG1 3.75Å; V1091-V1178 HydrophobicContact CG2-CG2 4.49Å; C1174-V1178 WeakPolarHBondContact O-CG2 3.3Å; C1174-V1178 PolarHBondContact O-N 2.81Å; Q1175-V1178 PolarHBondContact O-N 3.26Å; V1178-A1182 WeakPolarHBondContact O-CB 3.13Å; V1178-A1182 PolarHBondContact O-N 2.92Å |
| 1179 | L | 81.7 | Confident | 81.8 | Confident | 92 Ų | 92 | 48.7 Ų | 48.7 | 48% | 0.482 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.2 | -41.1 | 169.3 | -69.2 | 171.2 | 0 | 0 | 0 | 111.7 | P1088 Q1175 E1176 Y1177 A1182 S1183 | P1088-L1179 HydrophobicContact CB-CD2 4.34Å; Q1175-L1179 HydrophobicContact CG-CD1 4Å; Q1175-L1179 WeakPolarHBondContact O-CB 3.3Å; Q1175-L1179 VanDerWaalsContact O-CG 3.28Å; Q1175-L1179 WeakPolarHBondContact O-CG 3.15Å; Q1175-L1179 PolarHBondContact O-N 3.32Å; E1176-L1179 PolarHBondContact O-N 2.92Å; Y1177-L1179 VanDerWaalsContact C-N 3.31Å; Y1177-L1179 PolarHBondContact O-N 2.92Å; L1179-A1182 PolarHBondContact O-N 3.06Å; L1179-S1183 PolarHBondContact O-N 2.72Å; L1179-S1183 PolarHBondContact O-OG 2.95Å |
| 1180 | L | 82.9 | Confident | 82.2 | Confident | 1 Ų | 1 | 40.8 Ų | 40.8 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.2 | -49.5 | 174.8 | -169.5 | 77.2 | 0 | 0 | 0 | 111 | E1176 Y1177 A1182 S1183 A1184 F1236 L1239 M1243 I1256 | E1176-L1180 WeakPolarHBondContact O-CB 3.35Å; E1176-L1180 PolarHBondContact O-N 2.76Å; Y1177-L1180 WeakPolarHBondContact O-CB 3.39Å; Y1177-L1180 PolarHBondContact O-N 2.85Å; L1180-A1182 PolarHBondContact O-N 3.42Å; L1180-S1183 WeakPolarHBondContact CA-OG 3.44Å; L1180-S1183 CarbonylContact O-C 3.3Å; L1180-S1183 PolarHBondContact O-N 2.93Å; L1180-S1183 VanDerWaalsContact O-N 3.08Å; L1180-S1183 PolarHBondContact O-OG 2.81Å; L1180-A1184 PolarHBondContact O-N 3.3Å; L1180-F1236 HydrophobicContact CD1-CD2 3.69Å; L1180-F1236 HydrophobicContact CD1-CE2 3.51Å; L1180-F1236 HydrophobicContact CD1-CZ 4.33Å; L1180-F1236 HydrophobicContact CG-CD2 4.35Å; L1180-F1236 HydrophobicContact CG-CE2 3.68Å; L1180-F1236 HydrophobicContact CG-CZ 4.33Å; L1180-L1239 HydrophobicContact CD1-CB 4.3Å; L1180-L1239 HydrophobicContact CD1-CD2 3.81Å; L1180-L1239 HydrophobicContact CD1-CG 3.96Å; L1180-M1243 HydrophobicContact CB-SD 4.23Å; L1180-M1243 HydrophobicContact CD2-SD 4.04Å; L1180-M1243 HydrophobicContact CG-SD 4.48Å; L1180-I1256 HydrophobicContact CD2-CB 4.27Å; L1180-I1256 HydrophobicContact CD2-CG1 3.93Å; L1180-I1256 HydrophobicContact CD2-CG2 3.71Å |
| 1181 | E | 81.2 | Confident | 82.3 | Confident | 37 Ų | 37 | 38 Ų | 38 | 17% | 0.173 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -53.5 | -48.1 | 175.1 | 177.6 | -174.6 | -143.7 | 0 | 0 | 111.9 | K1087 Y1177 S1183 A1184 C1185 W1259 | K1087-E1181 WeakPolarHBondContact CD-OE2 3.43Å; K1087-E1181 WeakPolarHBondContact CE-OE2 3.38Å; K1087-E1181 IonicContact NZ-OE1 3.44Å; K1087-E1181 PolarHBondContact NZ-OE1 3.25Å; K1087-E1181 IonicContact NZ-OE2 3.6Å; K1087-E1181 PolarHBondContact NZ-OE2 3.27Å; Y1177-E1181 WeakPolarHBondContact O-CB 3.28Å; Y1177-E1181 PolarHBondContact O-N 2.68Å; E1181-S1183 VanDerWaalsContact C-N 3.31Å; E1181-S1183 PolarHBondContact O-N 2.96Å; E1181-A1184 WeakPolarHBondContact O-CB 3.3Å; E1181-A1184 PolarHBondContact O-N 3.46Å; E1181-C1185 PolarHBondContact O-N 2.98Å; E1181-C1185 PolarHBondContact O-SG 3.41Å; E1181-W1259 HydrophobicContact CG-CZ2 3.98Å |
| 1182 | A | 76.7 | Confident | 82.2 | Confident | 42 Ų | 42 | 43.2 Ų | 43.2 | 35% | 0.347 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -62.9 | -35.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | V1178 L1179 L1180 K1186 | V1178-A1182 WeakPolarHBondContact O-CB 3.13Å; V1178-A1182 PolarHBondContact O-N 2.92Å; L1179-A1182 PolarHBondContact O-N 3.06Å; L1180-A1182 PolarHBondContact O-N 3.42Å; A1182-K1186 WeakPolarHBondContact O-CG 3.17Å; A1182-K1186 PolarHBondContact O-N 3.21Å |
| 1183 | S | 81.3 | Confident | 82.1 | Confident | 38 Ų | 38 | 48.2 Ų | 48.2 | 27% | 0.266 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -74.2 | -33.8 | 173.8 | 69.1 | 0 | 0 | 0 | 0 | 113.1 | L1179 L1180 E1181 K1186 L1187 F1236 | L1179-S1183 PolarHBondContact O-N 2.72Å; L1179-S1183 PolarHBondContact O-OG 2.95Å; L1180-S1183 WeakPolarHBondContact CA-OG 3.44Å; L1180-S1183 CarbonylContact O-C 3.3Å; L1180-S1183 PolarHBondContact O-N 2.93Å; L1180-S1183 VanDerWaalsContact O-N 3.08Å; L1180-S1183 PolarHBondContact O-OG 2.81Å; E1181-S1183 VanDerWaalsContact C-N 3.31Å; E1181-S1183 PolarHBondContact O-N 2.96Å; S1183-K1186 PolarHBondContact O-N 3.47Å; S1183-L1187 VanDerWaalsContact O-CG 3.31Å; S1183-L1187 WeakPolarHBondContact O-CG 3.41Å; S1183-L1187 PolarHBondContact O-N 3.13Å; S1183-F1236 VanDerWaalsContact OG-CD2 3.31Å; S1183-F1236 WeakPolarHBondContact OG-CD2 3.39Å |
| 1184 | A | 82.4 | Confident | 81.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.1 | -43.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1180 E1181 L1187 L1188 F1236 W1259 V1263 | L1180-A1184 PolarHBondContact O-N 3.3Å; E1181-A1184 WeakPolarHBondContact O-CB 3.3Å; E1181-A1184 PolarHBondContact O-N 3.46Å; A1184-L1187 PolarHBondContact O-N 3.34Å; A1184-L1188 WeakPolarHBondContact O-CG 3.28Å; A1184-L1188 PolarHBondContact O-N 3.29Å; A1184-L1188 VanDerWaalsContact O-N 3.1Å; A1184-F1236 HydrophobicContact CB-CE2 3.56Å; A1184-F1236 HydrophobicContact CB-CZ 3.54Å; A1184-W1259 HydrophobicContact CB-CB 4.04Å; A1184-W1259 HydrophobicContact CB-CD2 3.73Å; A1184-W1259 HydrophobicContact CB-CE3 3.53Å; A1184-W1259 HydrophobicContact CB-CG 3.98Å; A1184-W1259 HydrophobicContact CB-CZ3 4.2Å; A1184-V1263 HydrophobicContact CB-CG2 4.07Å |
| 1185 | C | 83.2 | Confident | 81.9 | Confident | 43 Ų | 43 | 51 Ų | 51 | 29% | 0.291 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.7 | -57.5 | 174.3 | -62.2 | 0 | 0 | 0 | 0 | 110.4 | E1181 L1187 L1188 D1189 | E1181-C1185 PolarHBondContact O-N 2.98Å; E1181-C1185 PolarHBondContact O-SG 3.41Å; C1185-L1187 PolarHBondContact O-N 3.36Å; C1185-L1187 VanDerWaalsContact O-N 3.11Å; C1185-L1188 WeakPolarHBondContact O-CA 3.22Å; C1185-L1188 PolarHBondContact O-N 3.01Å; C1185-D1189 VanDerWaalsContact C-OD2 3.31Å; C1185-D1189 PolarHBondContact O-N 2.89Å; C1185-D1189 VanDerWaalsContact O-OD2 3.12Å |
| 1186 | K | 80.5 | Confident | 81.7 | Confident | 145 Ų | 145 | 50.6 Ų | 50.6 | 63% | 0.63 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -52.9 | -38.3 | 179.9 | -75.4 | -176.4 | 176.5 | -172.4 | 0 | 114.1 | A1182 S1183 W1190 | A1182-K1186 WeakPolarHBondContact O-CG 3.17Å; A1182-K1186 PolarHBondContact O-N 3.21Å; S1183-K1186 PolarHBondContact O-N 3.47Å; K1186-W1190 WeakPolarHBondContact O-CB 3.44Å; K1186-W1190 PolarHBondContact O-N 2.86Å |
| 1187 | L | 86.2 | Confident | 81.6 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 6% | 0.063 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -71.3 | -37.8 | 177.6 | -70.1 | 171.1 | 0 | 0 | 0 | 112.2 | S1183 A1184 C1185 I1191 V1233 F1236 V1263 | S1183-L1187 VanDerWaalsContact O-CG 3.31Å; S1183-L1187 WeakPolarHBondContact O-CG 3.41Å; S1183-L1187 PolarHBondContact O-N 3.13Å; A1184-L1187 PolarHBondContact O-N 3.34Å; C1185-L1187 PolarHBondContact O-N 3.36Å; C1185-L1187 VanDerWaalsContact O-N 3.11Å; L1187-I1191 WeakPolarHBondContact O-CB 3.27Å; L1187-I1191 VanDerWaalsContact O-CD1 3.24Å; L1187-I1191 WeakPolarHBondContact O-CD1 3.31Å; L1187-I1191 WeakPolarHBondContact O-CG1 3.19Å; L1187-I1191 PolarHBondContact O-N 3.39Å; L1187-V1233 HydrophobicContact CB-CG2 4.48Å; L1187-V1233 HydrophobicContact CD1-CG2 4.14Å; L1187-V1233 HydrophobicContact CD2-CG2 3.93Å; L1187-V1233 HydrophobicContact CG-CG2 4.42Å; L1187-F1236 HydrophobicContact CD1-CB 3.51Å; L1187-F1236 HydrophobicContact CD1-CD1 4.19Å; L1187-F1236 HydrophobicContact CD1-CD2 4.05Å; L1187-F1236 HydrophobicContact CD1-CG 3.64Å; L1187-V1263 HydrophobicContact CB-CG1 4.19Å; L1187-V1263 HydrophobicContact CD1-CG1 4.25Å |
| 1188 | L | 84.4 | Confident | 81.6 | Confident | 31 Ų | 31 | 49.5 Ų | 49.5 | 16% | 0.162 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -70.8 | -39.9 | 175.1 | -71 | 165.4 | 0 | 0 | 0 | 112.1 | A1184 C1185 I1191 H1192 W1259 T1262 V1263 R1266 | A1184-L1188 WeakPolarHBondContact O-CG 3.28Å; A1184-L1188 PolarHBondContact O-N 3.29Å; A1184-L1188 VanDerWaalsContact O-N 3.1Å; C1185-L1188 WeakPolarHBondContact O-CA 3.22Å; C1185-L1188 PolarHBondContact O-N 3.01Å; L1188-I1191 PolarHBondContact O-N 3Å; L1188-H1192 WeakPolarHBondContact O-CB 3.12Å; L1188-H1192 PolarHBondContact O-N 3.5Å; L1188-W1259 HydrophobicContact CD1-CE3 4.09Å; L1188-W1259 HydrophobicContact CD1-CZ3 3.74Å; L1188-T1262 HydrophobicContact CD1-CG2 4.08Å; L1188-T1262 HydrophobicContact CD2-CG2 4.24Å; L1188-V1263 HydrophobicContact CD1-CG2 4.15Å; L1188-V1263 HydrophobicContact CD2-CG2 4.37Å; L1188-V1263 HydrophobicContact CG-CG2 4.01Å; L1188-R1266 HydrophobicContact CD2-CB 3.77Å; L1188-R1266 HydrophobicContact CD2-CG 3.81Å |
| 1189 | D | 79.1 | Confident | 81.2 | Confident | 88 Ų | 88 | 50 Ų | 50 | 47% | 0.471 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -49.6 | 174.4 | -59 | -30 | 0 | 0 | 0 | 109.4 | C1185 I1191 H1192 E1193 | C1185-D1189 VanDerWaalsContact C-OD2 3.31Å; C1185-D1189 PolarHBondContact O-N 2.89Å; C1185-D1189 VanDerWaalsContact O-OD2 3.12Å; D1189-I1191 PolarHBondContact O-N 3.25Å; D1189-H1192 PolarHBondContact O-N 3.39Å; D1189-H1192 VanDerWaalsContact O-N 3.11Å; D1189-E1193 WeakPolarHBondContact O-CB 3.48Å; D1189-E1193 PolarHBondContact O-N 2.7Å |
| 1190 | W | 85.8 | Confident | 81 | Confident | 18 Ų | 18 | 49.4 Ų | 49.4 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 175.3 | -177 | 83.4 | 0 | 0 | 0 | 113 | K1186 H1192 E1194 G1195 F1222 A1226 Q1229 F1270 | K1186-W1190 WeakPolarHBondContact O-CB 3.44Å; K1186-W1190 PolarHBondContact O-N 2.86Å; W1190-H1192 PolarHBondContact O-N 3.33Å; W1190-E1194 HydrophobicContact CD2-CB 4.47Å; W1190-E1194 HydrophobicContact CG-CB 4.44Å; W1190-E1194 HydrophobicContact CZ2-CB 4.26Å; W1190-E1194 PolarHBondContact NE1-OE1 3.44Å; W1190-E1194 PolarHBondContact NE1-OE2 3.11Å; W1190-E1194 PolarHBondContact O-N 3.47Å; W1190-E1194 VanDerWaalsContact O-N 3.09Å; W1190-G1195 PolarHBondContact O-N 3.49Å; W1190-F1222 HydrophobicContact CH2-CZ 4.42Å; W1190-F1222 HydrophobicContact CZ2-CZ 4.15Å; W1190-A1226 HydrophobicContact CH2-CB 3.8Å; W1190-A1226 HydrophobicContact CZ2-CB 4.38Å; W1190-Q1229 VanDerWaalsContact CD1-NE2 3.34Å; W1190-Q1229 HydrophobicContact CD2-CB 3.99Å; W1190-Q1229 HydrophobicContact CD2-CG 3.63Å; W1190-Q1229 HydrophobicContact CE3-CB 3.74Å; W1190-Q1229 HydrophobicContact CE3-CG 3.95Å; W1190-Q1229 HydrophobicContact CG-CG 4.22Å; W1190-Q1229 HydrophobicContact CH2-CB 3.93Å; W1190-Q1229 HydrophobicContact CH2-CG 4.11Å; W1190-Q1229 HydrophobicContact CZ2-CB 4.14Å; W1190-Q1229 HydrophobicContact CZ2-CG 3.78Å; W1190-Q1229 HydrophobicContact CZ3-CB 3.71Å; W1190-Q1229 HydrophobicContact CZ3-CG 4.18Å; W1190-F1270 AromaticContact CH2-CE1 3.99Å; W1190-F1270 HydrophobicContact CH2-CE1 3.99Å; W1190-F1270 AromaticContact CH2-CZ 3.84Å; W1190-F1270 HydrophobicContact CH2-CZ 3.84Å; W1190-F1270 HydrophobicContact CZ3-CD1 4.47Å; W1190-F1270 AromaticContact CZ3-CE1 3.81Å; W1190-F1270 HydrophobicContact CZ3-CE1 3.81Å; W1190-F1270 HydrophobicContact CZ3-CZ 4.05Å |
| 1191 | I | 80.8 | Confident | 80.7 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.01 | 29% | 0.294 | C | S | . | . | I | π-helix | trans | -57 | -34.5 | 177.2 | -73.3 | 160.6 | 0 | 0 | 0 | 110.7 | L1187 L1188 D1189 G1195 E1196 R1266 Y1267 F1270 | L1187-I1191 WeakPolarHBondContact O-CB 3.27Å; L1187-I1191 VanDerWaalsContact O-CD1 3.24Å; L1187-I1191 WeakPolarHBondContact O-CD1 3.31Å; L1187-I1191 WeakPolarHBondContact O-CG1 3.19Å; L1187-I1191 PolarHBondContact O-N 3.39Å; L1188-I1191 PolarHBondContact O-N 3Å; D1189-I1191 PolarHBondContact O-N 3.25Å; I1191-G1195 CarbonylContact O-C 3.56Å; I1191-G1195 WeakPolarHBondContact O-CA 3.26Å; I1191-G1195 PolarHBondContact O-N 2.65Å; I1191-E1196 WeakPolarHBondContact O-CG 3.26Å; I1191-E1196 PolarHBondContact O-N 2.68Å; I1191-R1266 HydrophobicContact CD1-CB 4.5Å; I1191-R1266 HydrophobicContact CG2-CB 4.44Å; I1191-Y1267 HydrophobicContact CD1-CD2 4.12Å; I1191-Y1267 HydrophobicContact CD1-CG 4.47Å; I1191-Y1267 HydrophobicContact CG1-CD2 4.24Å; I1191-F1270 HydrophobicContact CG2-CB 3.93Å; I1191-F1270 HydrophobicContact CG2-CG 4.36Å |
| 1192 | H | 79.9 | Confident | 80.3 | Confident | 113 Ų | 113 | 52.5 Ų | 52.5 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | I | π-helix | trans | -87.2 | -55 | -177.7 | -163.3 | 54.3 | 0 | 0 | 0 | 113.1 | L1188 D1189 W1190 E1196 S1197 | L1188-H1192 WeakPolarHBondContact O-CB 3.12Å; L1188-H1192 PolarHBondContact O-N 3.5Å; D1189-H1192 PolarHBondContact O-N 3.39Å; D1189-H1192 VanDerWaalsContact O-N 3.11Å; W1190-H1192 PolarHBondContact O-N 3.33Å; H1192-E1196 IonicContact CE1-OE2 3.97Å; H1192-E1196 IonicContact CG-OE2 2.68Å; H1192-E1196 IonicContact ND1-OE2 3.98Å; H1192-E1196 PolarHBondContact ND1-OE2 3Å; H1192-S1197 PolarHBondContact O-N 3.13Å |
| 1193 | E | 80.5 | Confident | 79.8 | Confident | 148 Ų | 148 | 55 Ų | 55 | 69% | 0.692 | 30% | 0.299 | S | S | * | . | I | π-helix | trans | -75.1 | -32.8 | -172.1 | -64 | -165.1 | 156.1 | 0 | 0 | 113.8 | D1189 S1197 | D1189-E1193 WeakPolarHBondContact O-CB 3.48Å; D1189-E1193 PolarHBondContact O-N 2.7Å; E1193-S1197 WeakPolarHBondContact O-CB 3.34Å; E1193-S1197 PolarHBondContact O-OG 2.93Å |
| 1194 | E | 78.5 | Confident | 78.8 | Confident | 104 Ų | 104 | 56.3 Ų | 56.3 | 49% | 0.486 | 32% | 0.319 | S | S | . | . | I | π-helix | trans | -103.9 | -52.2 | 174.7 | -70 | -176.9 | -131.7 | 0 | 0 | 111.1 | W1190 Y1198 | W1190-E1194 HydrophobicContact CD2-CB 4.47Å; W1190-E1194 HydrophobicContact CG-CB 4.44Å; W1190-E1194 HydrophobicContact CZ2-CB 4.26Å; W1190-E1194 PolarHBondContact NE1-OE1 3.44Å; W1190-E1194 PolarHBondContact NE1-OE2 3.11Å; W1190-E1194 PolarHBondContact O-N 3.47Å; W1190-E1194 VanDerWaalsContact O-N 3.09Å; E1194-Y1198 WeakPolarHBondContact O-CB 3.47Å; E1194-Y1198 PolarHBondContact O-N 3.08Å |
| 1195 | G | 82.4 | Confident | 77.6 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | I | π-helix | trans | -64.4 | -62.4 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | W1190 I1191 L1199 F1270 | W1190-G1195 PolarHBondContact O-N 3.49Å; I1191-G1195 CarbonylContact O-C 3.56Å; I1191-G1195 WeakPolarHBondContact O-CA 3.26Å; I1191-G1195 PolarHBondContact O-N 2.65Å; G1195-L1199 PolarHBondContact O-N 2.93Å; G1195-F1270 VanDerWaalsContact C-CE2 3.47Å; G1195-F1270 WeakPolarHBondContact O-CE2 3.26Å |
| 1196 | E | 81.2 | Confident | 76.2 | Confident | 35 Ų | 35 | 66 Ų | 66 | 16% | 0.164 | 37% | 0.373 | C | S | . | . | I | π-helix | trans | -72.2 | -32.6 | -179.8 | -69.6 | -170.1 | 129.3 | 0 | 0 | 112.1 | I1191 H1192 L1199 A1200 K1273 | I1191-E1196 WeakPolarHBondContact O-CG 3.26Å; I1191-E1196 PolarHBondContact O-N 2.68Å; H1192-E1196 IonicContact CE1-OE2 3.97Å; H1192-E1196 IonicContact CG-OE2 2.68Å; H1192-E1196 IonicContact ND1-OE2 3.98Å; H1192-E1196 PolarHBondContact ND1-OE2 3Å; E1196-L1199 PolarHBondContact O-N 2.75Å; E1196-A1200 WeakPolarHBondContact O-CB 3.46Å; E1196-A1200 PolarHBondContact O-N 2.7Å; E1196-K1273 IonicContact OE1-NZ 2.77Å; E1196-K1273 PolarHBondContact OE1-NZ 3.44Å |
| 1197 | S | 79.2 | Confident | 75.3 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 46% | 0.455 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.3 | -44.9 | 175.2 | -162.7 | 0 | 0 | 0 | 0 | 112.3 | H1192 E1193 L1199 A1200 A1201 | H1192-S1197 PolarHBondContact O-N 3.13Å; E1193-S1197 WeakPolarHBondContact O-CB 3.34Å; E1193-S1197 PolarHBondContact O-OG 2.93Å; S1197-L1199 VanDerWaalsContact C-N 3.32Å; S1197-L1199 PolarHBondContact O-N 2.79Å; S1197-A1200 PolarHBondContact O-N 2.94Å; S1197-A1201 PolarHBondContact O-N 2.96Å |
| 1198 | Y | 82.1 | Confident | 74 | Confident | 23 Ų | 23 | 62.5 Ų | 62.5 | 9% | 0.09 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -56.7 | -45.7 | 172.1 | 175.6 | -84.9 | 0 | 0 | 0 | 111.4 | E1194 A1200 A1201 H1202 E1218 H1219 F1222 M1274 Y1277 | E1194-Y1198 WeakPolarHBondContact O-CB 3.47Å; E1194-Y1198 PolarHBondContact O-N 3.08Å; Y1198-A1200 PolarHBondContact O-N 3.12Å; Y1198-A1201 PolarHBondContact O-N 3.23Å; Y1198-H1202 AromaticContact CD1-ND1 3.97Å; Y1198-H1202 AromaticContact CD2-CE1 3.41Å; Y1198-H1202 VanDerWaalsContact CD2-CE1 3.41Å; Y1198-H1202 WeakPolarHBondContact CD2-CE1 3.38Å; Y1198-H1202 AromaticContact CD2-ND1 3.56Å; Y1198-H1202 AromaticContact CE1-ND1 3.87Å; Y1198-H1202 AromaticContact CE2-CE1 3.24Å; Y1198-H1202 WeakPolarHBondContact CE2-CE1 3.47Å; Y1198-H1202 AromaticContact CE2-ND1 3.46Å; Y1198-H1202 WeakPolarHBondContact CE2-ND1 3.33Å; Y1198-H1202 AromaticContact CE2-NE2 3.99Å; Y1198-H1202 AromaticContact CG-ND1 3.8Å; Y1198-H1202 AromaticContact CZ-CE1 3.82Å; Y1198-H1202 AromaticContact CZ-ND1 3.6Å; Y1198-H1202 PolarHBondContact O-N 3.32Å; Y1198-H1202 PolarHBondContact O-ND1 3.11Å; Y1198-E1218 HydrophobicContact CE2-CG 4.33Å; Y1198-H1219 VanDerWaalsContact OH-CA 3.28Å; Y1198-H1219 WeakPolarHBondContact OH-CA 3.47Å; Y1198-H1219 PolarHBondContact OH-N 3.05Å; Y1198-F1222 AromaticContact CD1-CD1 3.73Å; Y1198-F1222 HydrophobicContact CD1-CD1 3.73Å; Y1198-F1222 HydrophobicContact CD1-CD2 4.42Å; Y1198-F1222 HydrophobicContact CD1-CE1 4Å; Y1198-F1222 AromaticContact CD1-CG 3.97Å; Y1198-F1222 HydrophobicContact CD1-CG 3.97Å; Y1198-F1222 HydrophobicContact CD1-CZ 4.46Å; Y1198-F1222 HydrophobicContact CD2-CB 4.16Å; Y1198-F1222 HydrophobicContact CD2-CD1 4.24Å; Y1198-F1222 AromaticContact CD2-CD2 3.46Å; Y1198-F1222 HydrophobicContact CD2-CD2 3.46Å; Y1198-F1222 VanDerWaalsContact CD2-CD2 3.46Å; Y1198-F1222 AromaticContact CD2-CE2 3.88Å; Y1198-F1222 HydrophobicContact CD2-CE2 3.88Å; Y1198-F1222 AromaticContact CD2-CG 3.66Å; Y1198-F1222 HydrophobicContact CD2-CG 3.66Å; Y1198-F1222 HydrophobicContact CD2-CZ 4.43Å; Y1198-F1222 HydrophobicContact CE1-CB 4.2Å; Y1198-F1222 HydrophobicContact CE1-CD1 4.03Å; Y1198-F1222 HydrophobicContact CE1-CG 4.08Å; Y1198-F1222 HydrophobicContact CE2-CB 3.73Å; Y1198-F1222 HydrophobicContact CE2-CD1 4.49Å; Y1198-F1222 AromaticContact CE2-CD2 3.9Å; Y1198-F1222 HydrophobicContact CE2-CD2 3.9Å; Y1198-F1222 AromaticContact CE2-CG 3.77Å; Y1198-F1222 HydrophobicContact CE2-CG 3.77Å; Y1198-F1222 AromaticContact CG-CD1 3.87Å; Y1198-F1222 HydrophobicContact CG-CD1 3.87Å; Y1198-F1222 AromaticContact CG-CD2 3.77Å; Y1198-F1222 HydrophobicContact CG-CD2 3.77Å; Y1198-F1222 AromaticContact CG-CE1 3.95Å; Y1198-F1222 HydrophobicContact CG-CE1 3.95Å; Y1198-F1222 AromaticContact CG-CE2 3.85Å; Y1198-F1222 HydrophobicContact CG-CE2 3.85Å; Y1198-F1222 AromaticContact CG-CG 3.78Å; Y1198-F1222 HydrophobicContact CG-CG 3.78Å; Y1198-F1222 AromaticContact CG-CZ 3.94Å; Y1198-F1222 HydrophobicContact CG-CZ 3.94Å; Y1198-F1222 AromaticContact CZ-CG 4Å; Y1198-M1274 HydrophobicContact CD1-CE 3.89Å; Y1198-M1274 HydrophobicContact CD1-SD 4.45Å; Y1198-M1274 HydrophobicContact CE1-CE 4.32Å; Y1198-M1274 HydrophobicContact CE1-SD 4.31Å; Y1198-Y1277 HydrophobicContact CE1-CE1 4.31Å |
| 1199 | L | 76.2 | Confident | 73.1 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.063 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -63.4 | -40.5 | 178 | -77.6 | 164.3 | 0 | 0 | 0 | 112.4 | G1195 E1196 S1197 M1203 F1270 K1273 M1274 Y1277 | G1195-L1199 PolarHBondContact O-N 2.93Å; E1196-L1199 PolarHBondContact O-N 2.75Å; S1197-L1199 VanDerWaalsContact C-N 3.32Å; S1197-L1199 PolarHBondContact O-N 2.79Å; L1199-M1203 VanDerWaalsContact O-CB 3.23Å; L1199-M1203 WeakPolarHBondContact O-CB 3.28Å; L1199-M1203 WeakPolarHBondContact O-CG 3.09Å; L1199-M1203 PolarHBondContact O-N 3.14Å; L1199-M1203 VanDerWaalsContact O-N 3.12Å; L1199-F1270 HydrophobicContact CD1-CD2 3.87Å; L1199-F1270 HydrophobicContact CD1-CE2 4.05Å; L1199-K1273 HydrophobicContact CD1-CB 3.64Å; L1199-K1273 HydrophobicContact CD1-CD 4.49Å; L1199-M1274 HydrophobicContact CD1-CE 3.98Å; L1199-M1274 HydrophobicContact CD2-CE 3.87Å; L1199-M1274 HydrophobicContact CD2-SD 3.83Å; L1199-M1274 HydrophobicContact CG-CE 3.68Å; L1199-M1274 HydrophobicContact CG-SD 4.33Å; L1199-Y1277 HydrophobicContact CD2-CD1 4.3Å; L1199-Y1277 HydrophobicContact CD2-CG 4.1Å |
| 1200 | A | 77.3 | Confident | 72.8 | Confident | 80 Ų | 80 | 65.5 Ų | 65.5 | 66% | 0.661 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.5 | -41.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | E1196 S1197 Y1198 | E1196-A1200 WeakPolarHBondContact O-CB 3.46Å; E1196-A1200 PolarHBondContact O-N 2.7Å; S1197-A1200 PolarHBondContact O-N 2.94Å; Y1198-A1200 PolarHBondContact O-N 3.12Å |
| 1201 | A | 75.9 | Confident | 72.1 | Confident | 68 Ų | 68 | 68.1 Ų | 68.1 | 56% | 0.562 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -64.7 | -39.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | S1197 Y1198 | S1197-A1201 PolarHBondContact O-N 2.96Å; Y1198-A1201 PolarHBondContact O-N 3.23Å |
| 1202 | H | 72.3 | Confident | 71.7 | Confident | 35 Ų | 35 | 68 Ų | 68 | 16% | 0.162 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -98.9 | -19.3 | -169.6 | -59.4 | 91.7 | 0 | 0 | 0 | 115 | Y1198 G1204 E1218 Y1277 | Y1198-H1202 AromaticContact CD1-ND1 3.97Å; Y1198-H1202 AromaticContact CD2-CE1 3.41Å; Y1198-H1202 VanDerWaalsContact CD2-CE1 3.41Å; Y1198-H1202 WeakPolarHBondContact CD2-CE1 3.38Å; Y1198-H1202 AromaticContact CD2-ND1 3.56Å; Y1198-H1202 AromaticContact CE1-ND1 3.87Å; Y1198-H1202 AromaticContact CE2-CE1 3.24Å; Y1198-H1202 WeakPolarHBondContact CE2-CE1 3.47Å; Y1198-H1202 AromaticContact CE2-ND1 3.46Å; Y1198-H1202 WeakPolarHBondContact CE2-ND1 3.33Å; Y1198-H1202 AromaticContact CE2-NE2 3.99Å; Y1198-H1202 AromaticContact CG-ND1 3.8Å; Y1198-H1202 AromaticContact CZ-CE1 3.82Å; Y1198-H1202 AromaticContact CZ-ND1 3.6Å; Y1198-H1202 PolarHBondContact O-N 3.32Å; Y1198-H1202 PolarHBondContact O-ND1 3.11Å; H1202-G1204 VanDerWaalsContact C-N 3.28Å; H1202-G1204 PolarHBondContact O-N 3Å; H1202-E1218 IonicContact CD2-OE2 3.89Å; H1202-E1218 IonicContact NE2-OE1 3.97Å; H1202-E1218 IonicContact NE2-OE2 3.66Å; H1202-Y1277 HydrophobicContact CB-CE1 4.22Å; H1202-Y1277 HydrophobicContact CB-CE2 4.25Å; H1202-Y1277 WeakPolarHBondContact CB-OH 3.23Å |
| 1203 | M | 65.9 | Low | 71.5 | Confident | 95 Ų | 95 | 64.4 Ų | 64.4 | 47% | 0.468 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -22.1 | -176.1 | -86 | -91.3 | -82.9 | 0 | 0 | 115.1 | L1199 Y1277 K1280 | L1199-M1203 VanDerWaalsContact O-CB 3.23Å; L1199-M1203 WeakPolarHBondContact O-CB 3.28Å; L1199-M1203 WeakPolarHBondContact O-CG 3.09Å; L1199-M1203 PolarHBondContact O-N 3.14Å; L1199-M1203 VanDerWaalsContact O-N 3.12Å; M1203-Y1277 HydrophobicContact CG-CD2 3.86Å; M1203-Y1277 HydrophobicContact CG-CE2 4.43Å; M1203-Y1277 HydrophobicContact SD-CD2 3.71Å; M1203-Y1277 HydrophobicContact SD-CG 4.4Å; M1203-K1280 PolarHBondContact O-NZ 3.05Å |
| 1204 | G | 62 | Low | 71.3 | Confident | 65 Ų | 65 | 63.9 Ų | 63.9 | 67% | 0.67 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -17.2 | -165.4 | 0 | 0 | 0 | 0 | 0 | 117.6 | H1202 | H1202-G1204 VanDerWaalsContact C-N 3.28Å; H1202-G1204 PolarHBondContact O-N 3Å |
| 1205 | N | 55.8 | Low | 71.3 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 54% | 0.54 | 37% | 0.368 | S | S | . | . | trans | -83.3 | 147.8 | -166 | -69.6 | -25.1 | 0 | 0 | 0 | 114.3 | L1207 | N1205-L1207 HydrophobicContact CB-CD2 3.86Š| ||
| 1206 | V | 54.5 | Low | 71.1 | Confident | 146 Ų | 146 | 59.9 Ų | 59.9 | 89% | 0.885 | 37% | 0.369 | S | S | * | . | trans | -84 | 122.4 | 169.8 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1207 | L | 61.4 | Low | 71 | Confident | 36 Ų | 36 | 64.1 Ų | 64.1 | 19% | 0.188 | 39% | 0.386 | C | S | . | . | trans | -106.3 | 132.2 | -164.7 | -53.2 | -174.1 | 0 | 0 | 0 | 112.7 | N1205 I1211 A1212 L1215 L1281 I1284 | N1205-L1207 HydrophobicContact CB-CD2 3.86Å; L1207-I1211 HydrophobicContact CD2-CG2 3.98Å; L1207-A1212 HydrophobicContact CB-CB 4.44Å; L1207-A1212 HydrophobicContact CD1-CB 4.34Å; L1207-L1215 HydrophobicContact CD1-CD1 4.01Å; L1207-L1215 HydrophobicContact CD2-CD1 3.44Å; L1207-L1215 VanDerWaalsContact CD2-CD1 3.44Å; L1207-L1215 HydrophobicContact CG-CD1 4.39Å; L1207-L1281 HydrophobicContact CD1-CD2 3.49Å; L1207-L1281 VanDerWaalsContact CD1-CD2 3.49Å; L1207-I1284 HydrophobicContact CB-CD1 4.32Å; L1207-I1284 HydrophobicContact CB-CG2 4.39Å; L1207-I1284 HydrophobicContact CD1-CD1 3.9Å; L1207-I1284 HydrophobicContact CG-CD1 4.42Å | ||
| 1208 | S | 59.5 | Low | 71 | Confident | 48 Ų | 48 | 65.5 Ų | 65.5 | 34% | 0.336 | 39% | 0.386 | S | S | . | . | trans | -77.3 | 163.9 | 155.9 | 76.2 | 0 | 0 | 0 | 0 | 109.9 | S1210 I1211 A1212 | S1208-S1210 PolarHBondContact O-N 2.93Å; S1208-S1210 PolarHBondContact OG-N 3.41Å; S1208-S1210 PolarHBondContact OG-OG 3.25Å; S1208-I1211 PolarHBondContact O-N 2.92Å; S1208-I1211 WeakPolarHBondContact OG-CD1 3.42Å; S1208-I1211 VanDerWaalsContact OG-CG1 3.3Å; S1208-I1211 WeakPolarHBondContact OG-CG1 3.44Å; S1208-I1211 PolarHBondContact OG-N 2.78Å; S1208-I1211 VanDerWaalsContact OG-N 3.16Å; S1208-A1212 WeakPolarHBondContact O-CB 3.44Å; S1208-A1212 PolarHBondContact O-N 3.08Å | ||
| 1209 | T | 64.9 | Low | 71.1 | Confident | 102 Ų | 102 | 64.5 Ų | 64.5 | 63% | 0.626 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.3 | -23.4 | 174.1 | 44 | 0 | 0 | 0 | 0 | 113.7 | L1285 | T1209-L1285 WeakPolarHBondContact O-CD2 3.25Å |
| 1210 | S | 73 | Confident | 71.2 | Confident | 80 Ų | 80 | 68.6 Ų | 68.6 | 56% | 0.559 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -76.1 | -48 | 173.1 | 63.6 | 0 | 0 | 0 | 0 | 111.7 | S1208 A1212 D1213 E1214 | S1208-S1210 PolarHBondContact O-N 2.93Å; S1208-S1210 PolarHBondContact OG-N 3.41Å; S1208-S1210 PolarHBondContact OG-OG 3.25Å; S1210-A1212 PolarHBondContact O-N 2.62Å; S1210-D1213 PolarHBondContact O-N 3.37Å; S1210-D1213 VanDerWaalsContact O-N 3.16Å; S1210-E1214 PolarHBondContact O-N 3.4Å |
| 1211 | I | 71.8 | Confident | 71.3 | Confident | 72 Ų | 72 | 67.6 Ų | 67.6 | 37% | 0.369 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.1 | -33.8 | -180 | -61.9 | 165.6 | 0 | 0 | 0 | 110.2 | L1207 S1208 D1213 E1214 L1215 | L1207-I1211 HydrophobicContact CD2-CG2 3.98Å; S1208-I1211 PolarHBondContact O-N 2.92Å; S1208-I1211 WeakPolarHBondContact OG-CD1 3.42Å; S1208-I1211 VanDerWaalsContact OG-CG1 3.3Å; S1208-I1211 WeakPolarHBondContact OG-CG1 3.44Å; S1208-I1211 PolarHBondContact OG-N 2.78Å; S1208-I1211 VanDerWaalsContact OG-N 3.16Å; I1211-D1213 PolarHBondContact O-N 3.09Å; I1211-E1214 PolarHBondContact O-N 3.08Å; I1211-L1215 HydrophobicContact CG2-CD1 3.84Å; I1211-L1215 HydrophobicContact CG2-CG 4.15Å; I1211-L1215 WeakPolarHBondContact O-CB 3.33Å; I1211-L1215 WeakPolarHBondContact O-CG 3.45Å; I1211-L1215 PolarHBondContact O-N 3.1Å |
| 1212 | A | 72 | Confident | 71.7 | Confident | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -65.3 | -33.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1207 S1208 S1210 L1216 I1284 L1285 | L1207-A1212 HydrophobicContact CB-CB 4.44Å; L1207-A1212 HydrophobicContact CD1-CB 4.34Å; S1208-A1212 WeakPolarHBondContact O-CB 3.44Å; S1208-A1212 PolarHBondContact O-N 3.08Å; S1210-A1212 PolarHBondContact O-N 2.62Å; A1212-L1216 VanDerWaalsContact O-CB 3.26Å; A1212-L1216 WeakPolarHBondContact O-CB 3.3Å; A1212-L1216 PolarHBondContact O-N 3.38Å; A1212-I1284 HydrophobicContact CB-CB 4.32Å; A1212-I1284 HydrophobicContact CB-CG2 3.79Å; A1212-L1285 HydrophobicContact CB-CD1 4.44Å; A1212-L1285 HydrophobicContact CB-CD2 3.84Å; A1212-L1285 HydrophobicContact CB-CG 3.86Å |
| 1213 | D | 75.6 | Confident | 72.2 | Confident | 38 Ų | 38 | 64.1 Ų | 64.1 | 20% | 0.203 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -77.3 | -30.6 | 176.8 | -166.9 | 75.4 | 0 | 0 | 0 | 111.4 | S1210 I1211 K1217 L1285 R1287 | S1210-D1213 PolarHBondContact O-N 3.37Å; S1210-D1213 VanDerWaalsContact O-N 3.16Å; I1211-D1213 PolarHBondContact O-N 3.09Å; D1213-K1217 WeakPolarHBondContact O-CG 3.29Å; D1213-K1217 PolarHBondContact O-N 3.39Å; D1213-K1217 VanDerWaalsContact O-N 3.16Å; D1213-K1217 WeakPolarHBondContact OD2-CE 3.5Å; D1213-K1217 IonicContact OD2-NZ 2.69Å; D1213-K1217 PolarHBondContact OD2-NZ 3.43Å; D1213-L1285 HydrophobicContact CB-CD1 4.31Å; D1213-L1285 HydrophobicContact CB-CD2 3.86Å; D1213-R1287 IonicContact OD1-CZ 3.36Å; D1213-R1287 VanDerWaalsContact OD1-CZ 3.24Å; D1213-R1287 IonicContact OD1-NH1 2.76Å; D1213-R1287 PolarHBondContact OD1-NH1 2.8Å; D1213-R1287 IonicContact OD1-NH2 3.44Å; D1213-R1287 PolarHBondContact OD1-NH2 2.88Å |
| 1214 | E | 75.7 | Confident | 72.6 | Confident | 137 Ų | 137 | 62.1 Ų | 62.1 | 64% | 0.64 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -70.7 | -49.1 | 175.7 | -151 | 153.5 | -128.6 | 0 | 0 | 110.9 | S1210 I1211 L1216 K1217 E1218 | S1210-E1214 PolarHBondContact O-N 3.4Å; I1211-E1214 PolarHBondContact O-N 3.08Å; E1214-L1216 VanDerWaalsContact C-N 3.28Å; E1214-L1216 PolarHBondContact O-N 3.23Å; E1214-K1217 WeakPolarHBondContact O-CB 3.23Å; E1214-K1217 PolarHBondContact O-N 3.4Å; E1214-K1217 VanDerWaalsContact O-N 3.16Å; E1214-E1218 PolarHBondContact O-N 2.91Å |
| 1215 | L | 79.5 | Confident | 73.3 | Confident | 15 Ų | 15 | 62.4 Ų | 62.4 | 8% | 0.079 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -63.7 | -29.4 | 171.4 | -73.1 | 174.2 | 0 | 0 | 0 | 113.1 | L1207 I1211 H1219 L1281 | L1207-L1215 HydrophobicContact CD1-CD1 4.01Å; L1207-L1215 HydrophobicContact CD2-CD1 3.44Å; L1207-L1215 VanDerWaalsContact CD2-CD1 3.44Å; L1207-L1215 HydrophobicContact CG-CD1 4.39Å; I1211-L1215 HydrophobicContact CG2-CD1 3.84Å; I1211-L1215 HydrophobicContact CG2-CG 4.15Å; I1211-L1215 WeakPolarHBondContact O-CB 3.33Å; I1211-L1215 WeakPolarHBondContact O-CG 3.45Å; I1211-L1215 PolarHBondContact O-N 3.1Å; L1215-H1219 WeakPolarHBondContact O-CB 3.48Å; L1215-H1219 PolarHBondContact O-N 3.21Å; L1215-L1281 HydrophobicContact CB-CD1 4.21Å; L1215-L1281 HydrophobicContact CB-CD2 3.95Å; L1215-L1281 HydrophobicContact CD1-CD2 4.29Å |
| 1216 | L | 77.6 | Confident | 74.6 | Confident | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.8 | -37.9 | 174.2 | -171.9 | 70.3 | 0 | 0 | 0 | 111.1 | A1212 E1214 H1219 E1220 L1281 E1282 L1285 | A1212-L1216 VanDerWaalsContact O-CB 3.26Å; A1212-L1216 WeakPolarHBondContact O-CB 3.3Å; A1212-L1216 PolarHBondContact O-N 3.38Å; E1214-L1216 VanDerWaalsContact C-N 3.28Å; E1214-L1216 PolarHBondContact O-N 3.23Å; L1216-H1219 PolarHBondContact O-N 2.93Å; L1216-E1220 WeakPolarHBondContact O-CB 3.31Å; L1216-E1220 VanDerWaalsContact O-CG 3.32Å; L1216-E1220 WeakPolarHBondContact O-CG 3.37Å; L1216-E1220 PolarHBondContact O-N 2.84Å; L1216-L1281 HydrophobicContact CB-CD1 4.39Å; L1216-L1281 HydrophobicContact CD1-CB 4.03Å; L1216-L1281 HydrophobicContact CD1-CD1 4.19Å; L1216-E1282 HydrophobicContact CD1-CG 4.04Å; L1216-E1282 HydrophobicContact CD2-CG 4.39Å; L1216-L1285 HydrophobicContact CB-CD1 4.22Å; L1216-L1285 HydrophobicContact CD2-CD1 3.74Å |
| 1217 | K | 78.7 | Confident | 75.7 | Confident | 124 Ų | 124 | 53.6 Ų | 53.6 | 54% | 0.539 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.8 | -41.5 | 172.8 | -71.8 | 169.5 | -169.4 | 150.1 | 0 | 112.4 | D1213 E1214 H1219 E1220 A1221 | D1213-K1217 WeakPolarHBondContact O-CG 3.29Å; D1213-K1217 PolarHBondContact O-N 3.39Å; D1213-K1217 VanDerWaalsContact O-N 3.16Å; D1213-K1217 WeakPolarHBondContact OD2-CE 3.5Å; D1213-K1217 IonicContact OD2-NZ 2.69Å; D1213-K1217 PolarHBondContact OD2-NZ 3.43Å; E1214-K1217 WeakPolarHBondContact O-CB 3.23Å; E1214-K1217 PolarHBondContact O-N 3.4Å; E1214-K1217 VanDerWaalsContact O-N 3.16Å; K1217-H1219 VanDerWaalsContact C-N 3.32Å; K1217-E1220 PolarHBondContact O-N 2.93Å; K1217-A1221 WeakPolarHBondContact O-CB 3.1Å; K1217-A1221 PolarHBondContact O-N 3Å |
| 1218 | E | 80.1 | Confident | 76.5 | Confident | 95 Ų | 95 | 58.6 Ų | 58.6 | 44% | 0.444 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.8 | -41.1 | 175 | -174.2 | 165.3 | -143.3 | 0 | 0 | 111.2 | Y1198 H1202 E1214 A1221 F1222 | Y1198-E1218 HydrophobicContact CE2-CG 4.33Å; H1202-E1218 IonicContact CD2-OE2 3.89Å; H1202-E1218 IonicContact NE2-OE1 3.97Å; H1202-E1218 IonicContact NE2-OE2 3.66Å; E1214-E1218 PolarHBondContact O-N 2.91Å; E1218-A1221 PolarHBondContact O-N 3.17Å; E1218-F1222 PolarHBondContact O-N 3.48Å |
| 1219 | H | 82.9 | Confident | 77.5 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 171.2 | 171.7 | 81.4 | 0 | 0 | 0 | 113 | Y1198 L1215 L1216 K1217 A1221 F1222 V1223 M1274 Y1277 R1278 L1281 | Y1198-H1219 VanDerWaalsContact OH-CA 3.28Å; Y1198-H1219 WeakPolarHBondContact OH-CA 3.47Å; Y1198-H1219 PolarHBondContact OH-N 3.05Å; L1215-H1219 WeakPolarHBondContact O-CB 3.48Å; L1215-H1219 PolarHBondContact O-N 3.21Å; L1216-H1219 PolarHBondContact O-N 2.93Å; K1217-H1219 VanDerWaalsContact C-N 3.32Å; H1219-A1221 VanDerWaalsContact C-N 3.29Å; H1219-A1221 PolarHBondContact O-N 3.21Å; H1219-F1222 PolarHBondContact O-N 2.94Å; H1219-V1223 VanDerWaalsContact O-CB 3.25Å; H1219-V1223 WeakPolarHBondContact O-CB 3.46Å; H1219-V1223 VanDerWaalsContact O-CG2 3.24Å; H1219-V1223 WeakPolarHBondContact O-CG2 3.36Å; H1219-V1223 PolarHBondContact O-N 3.3Å; H1219-M1274 PolarHBondContact CE1-SD 3.33Å; H1219-M1274 PolarHBondContact ND1-SD 3.35Å; H1219-Y1277 HydrophobicContact CB-CE1 4.26Å; H1219-Y1277 AromaticContact ND1-CD1 3.64Å; H1219-R1278 VanDerWaalsContact NE2-CB 3.28Å; H1219-R1278 WeakPolarHBondContact NE2-CB 3.22Å; H1219-R1278 WeakPolarHBondContact NE2-CG 3.33Å; H1219-L1281 HydrophobicContact CB-CD1 4.07Å |
| 1220 | E | 79.7 | Confident | 78.3 | Confident | 98 Ų | 98 | 54.7 Ų | 54.7 | 46% | 0.458 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.5 | -35.6 | 175 | -77.6 | 178.4 | 165.6 | 0 | 0 | 111.8 | L1216 K1217 A1224 | L1216-E1220 WeakPolarHBondContact O-CB 3.31Å; L1216-E1220 VanDerWaalsContact O-CG 3.32Å; L1216-E1220 WeakPolarHBondContact O-CG 3.37Å; L1216-E1220 PolarHBondContact O-N 2.84Å; K1217-E1220 PolarHBondContact O-N 2.93Å; E1220-A1224 PolarHBondContact O-N 3.39Å |
| 1221 | A | 78.3 | Confident | 78.4 | Confident | 58 Ų | 58 | 52.8 Ų | 52.8 | 48% | 0.479 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.1 | -44.2 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1217 E1218 H1219 V1223 A1224 T1225 | K1217-A1221 WeakPolarHBondContact O-CB 3.1Å; K1217-A1221 PolarHBondContact O-N 3Å; E1218-A1221 PolarHBondContact O-N 3.17Å; H1219-A1221 VanDerWaalsContact C-N 3.29Å; H1219-A1221 PolarHBondContact O-N 3.21Å; A1221-V1223 VanDerWaalsContact C-N 3.34Å; A1221-V1223 PolarHBondContact O-N 2.73Å; A1221-A1224 WeakPolarHBondContact O-CA 3.47Å; A1221-A1224 VanDerWaalsContact O-CB 3.27Å; A1221-A1224 WeakPolarHBondContact O-CB 3.36Å; A1221-A1224 PolarHBondContact O-N 3.03Å; A1221-T1225 PolarHBondContact O-N 2.96Å |
| 1222 | F | 84.1 | Confident | 78.9 | Confident | 25 Ų | 25 | 51.7 Ų | 51.7 | 11% | 0.11 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -67.1 | -34.5 | 174.7 | -170.1 | -93.7 | 0 | 0 | 0 | 112.4 | W1190 Y1198 E1218 H1219 A1224 T1225 A1226 F1270 M1274 | W1190-F1222 HydrophobicContact CH2-CZ 4.42Å; W1190-F1222 HydrophobicContact CZ2-CZ 4.15Å; Y1198-F1222 AromaticContact CD1-CD1 3.73Å; Y1198-F1222 HydrophobicContact CD1-CD1 3.73Å; Y1198-F1222 HydrophobicContact CD1-CD2 4.42Å; Y1198-F1222 HydrophobicContact CD1-CE1 4Å; Y1198-F1222 AromaticContact CD1-CG 3.97Å; Y1198-F1222 HydrophobicContact CD1-CG 3.97Å; Y1198-F1222 HydrophobicContact CD1-CZ 4.46Å; Y1198-F1222 HydrophobicContact CD2-CB 4.16Å; Y1198-F1222 HydrophobicContact CD2-CD1 4.24Å; Y1198-F1222 AromaticContact CD2-CD2 3.46Å; Y1198-F1222 HydrophobicContact CD2-CD2 3.46Å; Y1198-F1222 VanDerWaalsContact CD2-CD2 3.46Å; Y1198-F1222 AromaticContact CD2-CE2 3.88Å; Y1198-F1222 HydrophobicContact CD2-CE2 3.88Å; Y1198-F1222 AromaticContact CD2-CG 3.66Å; Y1198-F1222 HydrophobicContact CD2-CG 3.66Å; Y1198-F1222 HydrophobicContact CD2-CZ 4.43Å; Y1198-F1222 HydrophobicContact CE1-CB 4.2Å; Y1198-F1222 HydrophobicContact CE1-CD1 4.03Å; Y1198-F1222 HydrophobicContact CE1-CG 4.08Å; Y1198-F1222 HydrophobicContact CE2-CB 3.73Å; Y1198-F1222 HydrophobicContact CE2-CD1 4.49Å; Y1198-F1222 AromaticContact CE2-CD2 3.9Å; Y1198-F1222 HydrophobicContact CE2-CD2 3.9Å; Y1198-F1222 AromaticContact CE2-CG 3.77Å; Y1198-F1222 HydrophobicContact CE2-CG 3.77Å; Y1198-F1222 AromaticContact CG-CD1 3.87Å; Y1198-F1222 HydrophobicContact CG-CD1 3.87Å; Y1198-F1222 AromaticContact CG-CD2 3.77Å; Y1198-F1222 HydrophobicContact CG-CD2 3.77Å; Y1198-F1222 AromaticContact CG-CE1 3.95Å; Y1198-F1222 HydrophobicContact CG-CE1 3.95Å; Y1198-F1222 AromaticContact CG-CE2 3.85Å; Y1198-F1222 HydrophobicContact CG-CE2 3.85Å; Y1198-F1222 AromaticContact CG-CG 3.78Å; Y1198-F1222 HydrophobicContact CG-CG 3.78Å; Y1198-F1222 AromaticContact CG-CZ 3.94Å; Y1198-F1222 HydrophobicContact CG-CZ 3.94Å; Y1198-F1222 AromaticContact CZ-CG 4Å; E1218-F1222 PolarHBondContact O-N 3.48Å; H1219-F1222 PolarHBondContact O-N 2.94Å; F1222-A1224 PolarHBondContact O-N 2.69Å; F1222-T1225 PolarHBondContact O-N 2.86Å; F1222-T1225 PolarHBondContact O-OG1 2.77Å; F1222-A1226 HydrophobicContact CD1-CB 4.48Å; F1222-A1226 HydrophobicContact CE1-CB 4.29Å; F1222-A1226 WeakPolarHBondContact O-CB 3.11Å; F1222-A1226 PolarHBondContact O-N 2.72Å; F1222-F1270 HydrophobicContact CE1-CE2 4.41Å; F1222-F1270 HydrophobicContact CE1-CZ 4.16Å; F1222-M1274 HydrophobicContact CD1-CE 3.6Å; F1222-M1274 HydrophobicContact CD1-SD 4.45Å; F1222-M1274 HydrophobicContact CE1-CE 3.49Å; F1222-M1274 VanDerWaalsContact CE1-CE 3.49Å |
| 1223 | V | 83.2 | Confident | 79.6 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -68.7 | -23 | 171.5 | 166.6 | 0 | 0 | 0 | 0 | 111.4 | H1219 A1221 K1227 M1274 D1294 L1295 | H1219-V1223 VanDerWaalsContact O-CB 3.25Å; H1219-V1223 WeakPolarHBondContact O-CB 3.46Å; H1219-V1223 VanDerWaalsContact O-CG2 3.24Å; H1219-V1223 WeakPolarHBondContact O-CG2 3.36Å; H1219-V1223 PolarHBondContact O-N 3.3Å; A1221-V1223 VanDerWaalsContact C-N 3.34Å; A1221-V1223 PolarHBondContact O-N 2.73Å; V1223-K1227 HydrophobicContact CG1-CD 4.46Å; V1223-K1227 WeakPolarHBondContact O-CD 3.28Å; V1223-K1227 WeakPolarHBondContact O-CG 3.02Å; V1223-K1227 PolarHBondContact O-N 2.82Å; V1223-M1274 HydrophobicContact CG2-CG 4.09Å; V1223-D1294 HydrophobicContact CG1-CB 3.93Å; V1223-L1295 HydrophobicContact CG1-CD2 4.38Å; V1223-L1295 HydrophobicContact CG1-CG 4.36Å; V1223-L1295 HydrophobicContact CG2-CD1 4.27Å |
| 1224 | A | 74.3 | Confident | 80 | Confident | 54 Ų | 54 | 54.4 Ų | 54.4 | 45% | 0.446 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -70.9 | -46.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112 | E1220 A1221 F1222 K1227 | E1220-A1224 PolarHBondContact O-N 3.39Å; A1221-A1224 WeakPolarHBondContact O-CA 3.47Å; A1221-A1224 VanDerWaalsContact O-CB 3.27Å; A1221-A1224 WeakPolarHBondContact O-CB 3.36Å; A1221-A1224 PolarHBondContact O-N 3.03Å; F1222-A1224 PolarHBondContact O-N 2.69Å; A1224-K1227 PolarHBondContact O-N 2.94Å |
| 1225 | T | 75.7 | Confident | 80.2 | Confident | 71 Ų | 71 | 53.4 Ų | 53.4 | 44% | 0.436 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -68.7 | -42.1 | 176.2 | 56.7 | 0 | 0 | 0 | 0 | 111.9 | A1221 F1222 K1227 E1228 | A1221-T1225 PolarHBondContact O-N 2.96Å; F1222-T1225 PolarHBondContact O-N 2.86Å; F1222-T1225 PolarHBondContact O-OG1 2.77Å; T1225-K1227 PolarHBondContact O-N 2.98Å; T1225-K1227 VanDerWaalsContact O-N 3.13Å; T1225-E1228 WeakPolarHBondContact O-CB 3.04Å; T1225-E1228 PolarHBondContact O-N 2.89Å |
| 1226 | A | 83.2 | Confident | 80.6 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -18.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | W1190 F1222 Q1229 R1230 F1270 L1295 | W1190-A1226 HydrophobicContact CH2-CB 3.8Å; W1190-A1226 HydrophobicContact CZ2-CB 4.38Å; F1222-A1226 HydrophobicContact CD1-CB 4.48Å; F1222-A1226 HydrophobicContact CE1-CB 4.29Å; F1222-A1226 WeakPolarHBondContact O-CB 3.11Å; F1222-A1226 PolarHBondContact O-N 2.72Å; A1226-Q1229 PolarHBondContact O-N 3.06Å; A1226-R1230 PolarHBondContact O-N 2.88Å; A1226-F1270 HydrophobicContact CB-CZ 4.39Å; A1226-L1295 HydrophobicContact CB-CD1 3.99Å; A1226-L1295 HydrophobicContact CB-CD2 3.77Å |
| 1227 | K | 79.3 | Confident | 81 | Confident | 61 Ų | 61 | 53.4 Ų | 53.4 | 27% | 0.265 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.3 | -33.6 | 172.3 | -80.9 | 160.1 | -173.9 | 165.7 | 0 | 112.7 | V1223 A1224 T1225 Q1229 R1230 D1231 D1294 L1295 | V1223-K1227 HydrophobicContact CG1-CD 4.46Å; V1223-K1227 WeakPolarHBondContact O-CD 3.28Å; V1223-K1227 WeakPolarHBondContact O-CG 3.02Å; V1223-K1227 PolarHBondContact O-N 2.82Å; A1224-K1227 PolarHBondContact O-N 2.94Å; T1225-K1227 PolarHBondContact O-N 2.98Å; T1225-K1227 VanDerWaalsContact O-N 3.13Å; K1227-Q1229 VanDerWaalsContact C-N 3.27Å; K1227-Q1229 PolarHBondContact O-N 2.85Å; K1227-R1230 WeakPolarHBondContact O-CB 3.28Å; K1227-R1230 PolarHBondContact O-N 2.79Å; K1227-D1231 PolarHBondContact O-N 2.87Å; K1227-D1294 WeakPolarHBondContact CE-OD2 3.31Å; K1227-D1294 IonicContact NZ-OD2 3.22Å; K1227-D1294 PolarHBondContact NZ-OD2 2.97Å; K1227-L1295 HydrophobicContact CG-CD2 3.92Å |
| 1228 | E | 77.1 | Confident | 81.2 | Confident | 141 Ų | 141 | 51.5 Ų | 51.5 | 66% | 0.659 | 27% | 0.272 | S | S | * | . | H | α-helix | trans | -66.7 | -35.3 | 174.4 | -56.2 | -173.3 | 164.4 | 0 | 0 | 110.8 | T1225 D1231 S1232 | T1225-E1228 WeakPolarHBondContact O-CB 3.04Å; T1225-E1228 PolarHBondContact O-N 2.89Å; E1228-D1231 PolarHBondContact O-N 2.84Å; E1228-S1232 WeakPolarHBondContact O-CB 3.35Å; E1228-S1232 PolarHBondContact O-N 2.94Å; E1228-S1232 PolarHBondContact O-OG 2.77Å |
| 1229 | Q | 81.1 | Confident | 81.3 | Confident | 52 Ų | 52 | 50.8 Ų | 50.8 | 24% | 0.243 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -77 | -34.4 | 177.9 | -63 | -75.2 | 10.2 | 0 | 0 | 112.2 | W1190 A1226 K1227 D1231 S1232 V1233 | W1190-Q1229 VanDerWaalsContact CD1-NE2 3.34Å; W1190-Q1229 HydrophobicContact CD2-CB 3.99Å; W1190-Q1229 HydrophobicContact CD2-CG 3.63Å; W1190-Q1229 HydrophobicContact CE3-CB 3.74Å; W1190-Q1229 HydrophobicContact CE3-CG 3.95Å; W1190-Q1229 HydrophobicContact CG-CG 4.22Å; W1190-Q1229 HydrophobicContact CH2-CB 3.93Å; W1190-Q1229 HydrophobicContact CH2-CG 4.11Å; W1190-Q1229 HydrophobicContact CZ2-CB 4.14Å; W1190-Q1229 HydrophobicContact CZ2-CG 3.78Å; W1190-Q1229 HydrophobicContact CZ3-CB 3.71Å; W1190-Q1229 HydrophobicContact CZ3-CG 4.18Å; A1226-Q1229 PolarHBondContact O-N 3.06Å; K1227-Q1229 VanDerWaalsContact C-N 3.27Å; K1227-Q1229 PolarHBondContact O-N 2.85Å; Q1229-D1231 VanDerWaalsContact C-N 3.28Å; Q1229-D1231 PolarHBondContact O-N 2.92Å; Q1229-S1232 PolarHBondContact O-N 2.83Å; Q1229-V1233 WeakPolarHBondContact O-CG2 3.48Å; Q1229-V1233 PolarHBondContact O-N 2.96Å |
| 1230 | R | 82.4 | Confident | 81.3 | Confident | 16 Ų | 16 | 50.7 Ų | 50.7 | 6% | 0.06 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -52.7 | -47.9 | 166 | -175.6 | -160.9 | 67.7 | -156.4 | -5.1 | 111.2 | A1226 K1227 V1233 R1234 Y1267 D1294 L1297 | A1226-R1230 PolarHBondContact O-N 2.88Å; K1227-R1230 WeakPolarHBondContact O-CB 3.28Å; K1227-R1230 PolarHBondContact O-N 2.79Å; R1230-V1233 PolarHBondContact O-N 3.21Å; R1230-R1234 PolarHBondContact O-N 2.86Å; R1230-Y1267 HydrophobicContact CB-CE2 4.46Å; R1230-Y1267 VanDerWaalsContact CB-OH 3.23Å; R1230-Y1267 WeakPolarHBondContact CB-OH 3.19Å; R1230-Y1267 HydrophobicContact CG-CE1 4.19Å; R1230-Y1267 WeakPolarHBondContact CG-OH 3.41Å; R1230-D1294 PolarHBondContact NH1-O 3.26Å; R1230-L1297 HydrophobicContact CG-CD2 4.16Å |
| 1231 | D | 74.8 | Confident | 81.3 | Confident | 40 Ų | 40 | 51 Ų | 51 | 21% | 0.214 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -76.2 | -30.7 | -176.1 | -67.3 | -23.6 | 0 | 0 | 0 | 111.5 | K1227 E1228 Q1229 R1234 I1235 | K1227-D1231 PolarHBondContact O-N 2.87Å; E1228-D1231 PolarHBondContact O-N 2.84Å; Q1229-D1231 VanDerWaalsContact C-N 3.28Å; Q1229-D1231 PolarHBondContact O-N 2.92Å; D1231-R1234 PolarHBondContact O-N 2.69Å; D1231-R1234 IonicContact OD1-NH1 2.65Å; D1231-I1235 WeakPolarHBondContact O-CB 3.45Å; D1231-I1235 VanDerWaalsContact O-CG1 3.26Å; D1231-I1235 WeakPolarHBondContact O-CG1 3.26Å; D1231-I1235 PolarHBondContact O-N 3.42Å |
| 1232 | S | 82.1 | Confident | 81.1 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 35% | 0.35 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.1 | -42.6 | 167.4 | -58.3 | 0 | 0 | 0 | 0 | 112.3 | E1228 Q1229 I1235 F1236 | E1228-S1232 WeakPolarHBondContact O-CB 3.35Å; E1228-S1232 PolarHBondContact O-N 2.94Å; E1228-S1232 PolarHBondContact O-OG 2.77Å; Q1229-S1232 PolarHBondContact O-N 2.83Å; S1232-I1235 PolarHBondContact O-N 2.95Å; S1232-F1236 WeakPolarHBondContact O-CB 3.26Å; S1232-F1236 PolarHBondContact O-N 3.49Å |
| 1233 | V | 85.5 | Confident | 80.8 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 170.4 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | L1187 Q1229 R1230 I1235 F1236 L1237 V1263 Y1267 L1297 | L1187-V1233 HydrophobicContact CB-CG2 4.48Å; L1187-V1233 HydrophobicContact CD1-CG2 4.14Å; L1187-V1233 HydrophobicContact CD2-CG2 3.93Å; L1187-V1233 HydrophobicContact CG-CG2 4.42Å; Q1229-V1233 WeakPolarHBondContact O-CG2 3.48Å; Q1229-V1233 PolarHBondContact O-N 2.96Å; R1230-V1233 PolarHBondContact O-N 3.21Å; V1233-I1235 PolarHBondContact O-N 3.39Å; V1233-F1236 WeakPolarHBondContact O-CB 3.48Å; V1233-F1236 PolarHBondContact O-N 3.48Å; V1233-L1237 HydrophobicContact CG1-CD1 3.89Å; V1233-L1237 HydrophobicContact CG1-CG 4.24Å; V1233-L1237 VanDerWaalsContact O-CG 3.28Å; V1233-L1237 WeakPolarHBondContact O-CG 3.4Å; V1233-L1237 PolarHBondContact O-N 2.91Å; V1233-V1263 HydrophobicContact CG1-CG1 4.07Å; V1233-V1263 HydrophobicContact CG2-CG1 4.12Å; V1233-Y1267 HydrophobicContact CB-CD2 4.4Å; V1233-Y1267 HydrophobicContact CB-CG 4.36Å; V1233-Y1267 HydrophobicContact CG1-CD1 4.34Å; V1233-Y1267 HydrophobicContact CG1-CG 4.06Å; V1233-Y1267 HydrophobicContact CG2-CD2 3.77Å; V1233-Y1267 HydrophobicContact CG2-CE2 4.46Å; V1233-Y1267 HydrophobicContact CG2-CG 4.03Å; V1233-L1297 HydrophobicContact CG1-CD2 4.08Å |
| 1234 | R | 83.8 | Confident | 80.3 | Confident | 94 Ų | 94 | 55.9 Ų | 55.9 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 178.6 | -171.5 | -174.9 | -88.3 | 166.1 | -13.6 | 111.6 | R1230 D1231 L1237 D1238 L1297 R1299 | R1230-R1234 PolarHBondContact O-N 2.86Å; D1231-R1234 PolarHBondContact O-N 2.69Å; D1231-R1234 IonicContact OD1-NH1 2.65Å; R1234-L1237 PolarHBondContact O-N 3.38Å; R1234-D1238 PolarHBondContact O-N 3.24Å; R1234-D1238 VanDerWaalsContact O-N 3.09Å; R1234-L1297 PolarHBondContact NH2-O 3.14Å; R1234-R1299 PolarHBondContact NH2-O 3.08Å |
| 1235 | I | 80.7 | Confident | 79.7 | Confident | 116 Ų | 116 | 55.9 Ų | 55.9 | 60% | 0.595 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -63.8 | -44.5 | 174 | -69.5 | 162.9 | 0 | 0 | 0 | 111 | D1231 S1232 V1233 L1237 D1238 L1239 | D1231-I1235 WeakPolarHBondContact O-CB 3.45Å; D1231-I1235 VanDerWaalsContact O-CG1 3.26Å; D1231-I1235 WeakPolarHBondContact O-CG1 3.26Å; D1231-I1235 PolarHBondContact O-N 3.42Å; S1232-I1235 PolarHBondContact O-N 2.95Å; V1233-I1235 PolarHBondContact O-N 3.39Å; I1235-L1237 PolarHBondContact O-N 3.25Å; I1235-D1238 PolarHBondContact O-N 3.41Å; I1235-L1239 WeakPolarHBondContact O-CB 3.3Å; I1235-L1239 PolarHBondContact O-N 2.7Å |
| 1236 | F | 88.9 | Confident | 78.9 | Confident | 6 Ų | 6 | 62.2 Ų | 62.2 | 3% | 0.026 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.8 | -43.7 | 176.7 | 168.7 | -93.9 | 0 | 0 | 0 | 112.8 | L1180 S1183 A1184 L1187 S1232 V1233 L1239 G1240 W1259 V1260 V1263 | L1180-F1236 HydrophobicContact CD1-CD2 3.69Å; L1180-F1236 HydrophobicContact CD1-CE2 3.51Å; L1180-F1236 HydrophobicContact CD1-CZ 4.33Å; L1180-F1236 HydrophobicContact CG-CD2 4.35Å; L1180-F1236 HydrophobicContact CG-CE2 3.68Å; L1180-F1236 HydrophobicContact CG-CZ 4.33Å; S1183-F1236 VanDerWaalsContact OG-CD2 3.31Å; S1183-F1236 WeakPolarHBondContact OG-CD2 3.39Å; A1184-F1236 HydrophobicContact CB-CE2 3.56Å; A1184-F1236 HydrophobicContact CB-CZ 3.54Å; L1187-F1236 HydrophobicContact CD1-CB 3.51Å; L1187-F1236 HydrophobicContact CD1-CD1 4.19Å; L1187-F1236 HydrophobicContact CD1-CD2 4.05Å; L1187-F1236 HydrophobicContact CD1-CG 3.64Å; S1232-F1236 WeakPolarHBondContact O-CB 3.26Å; S1232-F1236 PolarHBondContact O-N 3.49Å; V1233-F1236 WeakPolarHBondContact O-CB 3.48Å; V1233-F1236 PolarHBondContact O-N 3.48Å; F1236-L1239 PolarHBondContact O-N 3.14Å; F1236-G1240 PolarHBondContact O-N 3.49Å; F1236-W1259 HydrophobicContact CZ-CB 4.22Å; F1236-V1260 HydrophobicContact CE1-CG2 4.44Å; F1236-V1263 HydrophobicContact CD1-CB 4.05Å; F1236-V1263 HydrophobicContact CD1-CG1 3.89Å; F1236-V1263 HydrophobicContact CD1-CG2 4.21Å; F1236-V1263 HydrophobicContact CE1-CB 3.62Å; F1236-V1263 HydrophobicContact CE1-CG1 3.99Å; F1236-V1263 HydrophobicContact CE1-CG2 3.53Å; F1236-V1263 HydrophobicContact CZ-CB 4.44Å; F1236-V1263 HydrophobicContact CZ-CG2 3.86Å |
| 1237 | L | 85.4 | Confident | 77.6 | Confident | 13 Ų | 13 | 68.4 Ų | 68.4 | 7% | 0.068 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -68.6 | -42.4 | 179.3 | -64.6 | 174.1 | 0 | 0 | 0 | 111.8 | V1233 R1234 I1235 L1239 G1240 E1241 V1260 K1264 L1297 | V1233-L1237 HydrophobicContact CG1-CD1 3.89Å; V1233-L1237 HydrophobicContact CG1-CG 4.24Å; V1233-L1237 VanDerWaalsContact O-CG 3.28Å; V1233-L1237 WeakPolarHBondContact O-CG 3.4Å; V1233-L1237 PolarHBondContact O-N 2.91Å; R1234-L1237 PolarHBondContact O-N 3.38Å; I1235-L1237 PolarHBondContact O-N 3.25Å; L1237-L1239 VanDerWaalsContact C-N 3.34Å; L1237-L1239 PolarHBondContact O-N 3.31Å; L1237-G1240 PolarHBondContact O-N 3.37Å; L1237-E1241 WeakPolarHBondContact O-CB 3.48Å; L1237-E1241 WeakPolarHBondContact O-CG 3.37Å; L1237-E1241 PolarHBondContact O-N 3.33Å; L1237-V1260 HydrophobicContact CD2-CB 4.41Å; L1237-V1260 HydrophobicContact CD2-CG1 3.82Å; L1237-V1260 WeakPolarHBondContact CD2-O 3.45Å; L1237-K1264 HydrophobicContact CD1-CB 4.04Å; L1237-K1264 HydrophobicContact CD1-CD 4Å; L1237-K1264 HydrophobicContact CD1-CG 3.83Å; L1237-K1264 HydrophobicContact CD2-CB 3.83Å; L1237-K1264 HydrophobicContact CD2-CD 4.32Å; L1237-K1264 HydrophobicContact CD2-CG 4.38Å; L1237-L1297 HydrophobicContact CD1-CD1 4.19Å |
| 1238 | D | 82.5 | Confident | 76.5 | Confident | 84 Ų | 84 | 67.6 Ų | 67.6 | 45% | 0.449 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.2 | -36.6 | 174.8 | 175.2 | 62.4 | 0 | 0 | 0 | 112.5 | R1234 I1235 K1242 | R1234-D1238 PolarHBondContact O-N 3.24Å; R1234-D1238 VanDerWaalsContact O-N 3.09Å; I1235-D1238 PolarHBondContact O-N 3.41Å; D1238-K1242 WeakPolarHBondContact O-CB 3.41Å; D1238-K1242 VanDerWaalsContact O-CG 3.3Å; D1238-K1242 WeakPolarHBondContact O-CG 3.42Å; D1238-K1242 PolarHBondContact O-N 3.22Å; D1238-K1242 IonicContact OD1-NZ 2.69Å; D1238-K1242 PolarHBondContact OD1-NZ 3.17Å; D1238-K1242 IonicContact OD2-NZ 2.66Å; D1238-K1242 PolarHBondContact OD2-NZ 3.35Å |
| 1239 | L | 83 | Confident | 75.9 | Confident | 79 Ų | 79 | 68.5 Ų | 68.5 | 41% | 0.414 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -65.6 | -47.7 | 173 | -177.4 | 62.3 | 0 | 0 | 0 | 111.4 | L1180 I1235 F1236 L1237 K1242 M1243 | L1180-L1239 HydrophobicContact CD1-CB 4.3Å; L1180-L1239 HydrophobicContact CD1-CD2 3.81Å; L1180-L1239 HydrophobicContact CD1-CG 3.96Å; I1235-L1239 WeakPolarHBondContact O-CB 3.3Å; I1235-L1239 PolarHBondContact O-N 2.7Å; F1236-L1239 PolarHBondContact O-N 3.14Å; L1237-L1239 VanDerWaalsContact C-N 3.34Å; L1237-L1239 PolarHBondContact O-N 3.31Å; L1239-K1242 WeakPolarHBondContact O-CB 3.49Å; L1239-K1242 PolarHBondContact O-N 3.19Å; L1239-M1243 WeakPolarHBondContact O-CG 3.33Å; L1239-M1243 PolarHBondContact O-N 3Å |
| 1240 | G | 81.9 | Confident | 75.4 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.1 | -41.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | F1236 L1237 M1243 L1244 | F1236-G1240 PolarHBondContact O-N 3.49Å; L1237-G1240 PolarHBondContact O-N 3.37Å; G1240-M1243 PolarHBondContact O-N 3.25Å; G1240-L1244 WeakPolarHBondContact O-CG 3.28Å; G1240-L1244 PolarHBondContact O-N 3.06Å; G1240-L1244 VanDerWaalsContact O-N 3.16Å |
| 1241 | E | 79.8 | Confident | 75 | Confident | 106 Ų | 106 | 69.6 Ų | 69.6 | 50% | 0.495 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.9 | -37.6 | 175.1 | -72.7 | -178.5 | -165 | 0 | 0 | 111.6 | L1237 G1245 K1264 | L1237-E1241 WeakPolarHBondContact O-CB 3.48Å; L1237-E1241 WeakPolarHBondContact O-CG 3.37Å; L1237-E1241 PolarHBondContact O-N 3.33Å; E1241-G1245 PolarHBondContact O-N 2.94Å; E1241-K1264 IonicContact OE1-NZ 3.41Å |
| 1242 | K | 74.5 | Confident | 75.3 | Confident | 134 Ų | 134 | 68.1 Ų | 68.1 | 58% | 0.583 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -61.2 | -43.6 | 170.8 | -81.6 | 178.7 | 174.8 | 73.4 | 0 | 112.9 | D1238 L1239 G1245 | D1238-K1242 WeakPolarHBondContact O-CB 3.41Å; D1238-K1242 VanDerWaalsContact O-CG 3.3Å; D1238-K1242 WeakPolarHBondContact O-CG 3.42Å; D1238-K1242 PolarHBondContact O-N 3.22Å; D1238-K1242 IonicContact OD1-NZ 2.69Å; D1238-K1242 PolarHBondContact OD1-NZ 3.17Å; D1238-K1242 IonicContact OD2-NZ 2.66Å; D1238-K1242 PolarHBondContact OD2-NZ 3.35Å; L1239-K1242 WeakPolarHBondContact O-CB 3.49Å; L1239-K1242 PolarHBondContact O-N 3.19Å; K1242-G1245 PolarHBondContact O-N 2.96Å |
| 1243 | M | 77.8 | Confident | 74.9 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 11% | 0.108 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68 | -31.9 | -177.9 | -74.6 | -176.1 | 69.3 | 0 | 0 | 113.8 | E1176 L1180 L1239 G1240 H1250 I1256 | E1176-M1243 HydrophobicContact CB-CE 3.39Å; E1176-M1243 HydrophobicContact CB-SD 4.07Å; L1180-M1243 HydrophobicContact CB-SD 4.23Å; L1180-M1243 HydrophobicContact CD2-SD 4.04Å; L1180-M1243 HydrophobicContact CG-SD 4.48Å; L1239-M1243 WeakPolarHBondContact O-CG 3.33Å; L1239-M1243 PolarHBondContact O-N 3Å; G1240-M1243 PolarHBondContact O-N 3.25Å; M1243-H1250 VanDerWaalsContact CE-NE2 3.32Å; M1243-H1250 WeakPolarHBondContact CE-NE2 3.22Å; M1243-I1256 HydrophobicContact CB-CD1 4.28Å; M1243-I1256 HydrophobicContact CE-CD1 3.69Å; M1243-I1256 HydrophobicContact SD-CD1 4.49Å |
| 1244 | L | 72.3 | Confident | 74.6 | Confident | 33 Ų | 33 | 73 Ų | 73 | 17% | 0.173 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -72 | -36.2 | 175.9 | -68.9 | 170.8 | 0 | 0 | 0 | 112.2 | G1240 G1248 A1253 I1256 T1257 | G1240-L1244 WeakPolarHBondContact O-CG 3.28Å; G1240-L1244 PolarHBondContact O-N 3.06Å; G1240-L1244 VanDerWaalsContact O-N 3.16Å; L1244-G1248 PolarHBondContact O-N 2.75Å; L1244-A1253 HydrophobicContact CD2-CB 3.91Å; L1244-A1253 VanDerWaalsContact CD2-O 3.25Å; L1244-A1253 WeakPolarHBondContact CD2-O 3.43Å; L1244-I1256 HydrophobicContact CD1-CG2 4.07Å; L1244-I1256 HydrophobicContact CD2-CB 3.94Å; L1244-I1256 HydrophobicContact CD2-CG2 3.77Å; L1244-I1256 HydrophobicContact CG-CB 4.43Å; L1244-I1256 HydrophobicContact CG-CG2 3.69Å; L1244-T1257 WeakPolarHBondContact CD2-OG1 3.31Å |
| 1245 | G | 61.4 | Low | 74.3 | Confident | 54 Ų | 54 | 71.5 Ų | 71.5 | 56% | 0.557 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.4 | -159.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E1241 K1242 | E1241-G1245 PolarHBondContact O-N 2.94Å; K1242-G1245 PolarHBondContact O-N 2.96Å |
| 1246 | K | 59.6 | Low | 74.4 | Confident | 205 Ų | 205 | 66 Ų | 66 | 89% | 0.891 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -26.3 | 173.3 | -74.4 | -172.4 | 175 | -178.3 | 0 | 113.6 | ||
| 1247 | D | 56.1 | Low | 74.1 | Confident | 130 Ų | 130 | 67.8 Ų | 67.8 | 70% | 0.695 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.3 | -6 | -165.2 | -51.3 | -53.7 | 0 | 0 | 0 | 113.7 | Q1249 | D1247-Q1249 HydrophobicContact CB-CG 3.94Å; D1247-Q1249 WeakPolarHBondContact O-CG 3.24Å; D1247-Q1249 PolarHBondContact O-N 2.95Å |
| 1248 | G | 55.7 | Low | 74.1 | Confident | 44 Ų | 44 | 73.6 Ų | 73.6 | 45% | 0.454 | 39% | 0.389 | S | S | . | . | trans | 65.6 | 8.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115.6 | L1244 H1250 | L1244-G1248 PolarHBondContact O-N 2.75Å; G1248-H1250 PolarHBondContact O-N 3.3Å | ||
| 1249 | Q | 63.9 | Low | 74.3 | Confident | 159 Ų | 159 | 72.6 Ų | 72.6 | 74% | 0.743 | 38% | 0.379 | S | S | * | . | trans | -74 | 6.6 | -172.8 | -59.6 | -179.5 | 16.6 | 0 | 0 | 114.6 | D1247 | D1247-Q1249 HydrophobicContact CB-CG 3.94Å; D1247-Q1249 WeakPolarHBondContact O-CG 3.24Å; D1247-Q1249 PolarHBondContact O-N 2.95Å | ||
| 1250 | H | 72.1 | Confident | 74.5 | Confident | 13 Ų | 13 | 69.4 Ų | 69.4 | 6% | 0.06 | 36% | 0.363 | C | S | . | . | trans | -72.7 | 131.1 | 177.7 | -165.7 | -80.3 | 0 | 0 | 0 | 110.3 | Q1173 M1243 G1248 H1252 A1253 I1256 | Q1173-H1250 WeakPolarHBondContact CB-NE2 3.16Å; Q1173-H1250 PolarHBondContact O-CE1 2.92Å; Q1173-H1250 PolarHBondContact O-NE2 2.99Å; M1243-H1250 VanDerWaalsContact CE-NE2 3.32Å; M1243-H1250 WeakPolarHBondContact CE-NE2 3.22Å; G1248-H1250 PolarHBondContact O-N 3.3Å; H1250-H1252 AromaticContact CE1-ND1 3.93Å; H1250-H1252 PolarHBondContact ND1-N 3.07Å; H1250-H1252 PolarHBondContact O-N 3.01Å; H1250-A1253 HydrophobicContact CB-CB 4.18Å; H1250-A1253 VanDerWaalsContact O-CB 3.27Å; H1250-A1253 WeakPolarHBondContact O-CB 3.38Å; H1250-A1253 PolarHBondContact O-N 2.86Å; H1250-I1256 VanDerWaalsContact CE1-CD1 3.45Å; H1250-I1256 WeakPolarHBondContact CE1-CD1 3.5Å; H1250-I1256 WeakPolarHBondContact ND1-CD1 3.34Å | ||
| 1251 | L | 73.8 | Confident | 74.6 | Confident | 79 Ų | 79 | 76 Ų | 76 | 41% | 0.414 | 39% | 0.391 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.8 | -36.9 | -174 | -163.1 | 74.2 | 0 | 0 | 0 | 112.9 | ||
| 1252 | H | 80 | Confident | 75 | Confident | 8 Ų | 8 | 73.3 Ų | 73.3 | 4% | 0.037 | 38% | 0.382 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 25.4 | -179.6 | -50 | 99.7 | 0 | 0 | 0 | 113.9 | C1067 Y1177 H1250 N1254 D1255 I1256 | C1067-H1252 WeakPolarHBondContact CB-NE2 3.34Å; C1067-H1252 VanDerWaalsContact SG-CE1 3.53Å; C1067-H1252 PolarHBondContact SG-NE2 2.65Å; Y1177-H1252 WeakPolarHBondContact CB-ND1 3.41Å; Y1177-H1252 HydrophobicContact CD1-CB 3.97Å; Y1177-H1252 AromaticContact CD1-CD2 3.47Å; Y1177-H1252 VanDerWaalsContact CD1-CD2 3.47Å; Y1177-H1252 WeakPolarHBondContact CD1-CD2 2.9Å; Y1177-H1252 AromaticContact CD1-CE1 3.52Å; Y1177-H1252 AromaticContact CD1-CG 3.32Å; Y1177-H1252 AromaticContact CD1-ND1 3.35Å; Y1177-H1252 VanDerWaalsContact CD1-ND1 3.35Å; Y1177-H1252 WeakPolarHBondContact CD1-ND1 3.4Å; Y1177-H1252 AromaticContact CD1-NE2 3.59Å; Y1177-H1252 HydrophobicContact CD2-CB 3.37Å; Y1177-H1252 AromaticContact CD2-CG 3.73Å; Y1177-H1252 HydrophobicContact CE1-CB 4.22Å; Y1177-H1252 AromaticContact CE1-CD2 3.35Å; Y1177-H1252 WeakPolarHBondContact CE1-CD2 3.35Å; Y1177-H1252 AromaticContact CE1-CG 3.64Å; Y1177-H1252 AromaticContact CE1-NE2 3.67Å; Y1177-H1252 HydrophobicContact CE2-CB 3.65Å; Y1177-H1252 HydrophobicContact CG-CB 3.52Å; Y1177-H1252 AromaticContact CG-CD2 3.97Å; Y1177-H1252 AromaticContact CG-CG 3.35Å; Y1177-H1252 AromaticContact CG-ND1 3.41Å; Y1177-H1252 AromaticContact CZ-CD2 3.75Å; Y1177-H1252 AromaticContact CZ-CG 3.94Å; H1250-H1252 AromaticContact CE1-ND1 3.93Å; H1250-H1252 PolarHBondContact ND1-N 3.07Å; H1250-H1252 PolarHBondContact O-N 3.01Å; H1252-N1254 VanDerWaalsContact C-N 3.26Å; H1252-N1254 PolarHBondContact O-N 3.22Å; H1252-D1255 PolarHBondContact O-N 3.43Å; H1252-I1256 HydrophobicContact CB-CD1 4.3Å; H1252-I1256 HydrophobicContact CB-CG1 4.4Å; H1252-I1256 WeakPolarHBondContact O-CG1 3.28Å; H1252-I1256 PolarHBondContact O-N 3.02Å |
| 1253 | A | 74.4 | Confident | 75.7 | Confident | 15 Ų | 15 | 66.9 Ų | 66.9 | 12% | 0.124 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -55.5 | -36.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | L1244 H1250 T1257 | L1244-A1253 HydrophobicContact CD2-CB 3.91Å; L1244-A1253 VanDerWaalsContact CD2-O 3.25Å; L1244-A1253 WeakPolarHBondContact CD2-O 3.43Å; H1250-A1253 HydrophobicContact CB-CB 4.18Å; H1250-A1253 VanDerWaalsContact O-CB 3.27Å; H1250-A1253 WeakPolarHBondContact O-CB 3.38Å; H1250-A1253 PolarHBondContact O-N 2.86Å; A1253-T1257 VanDerWaalsContact O-CB 3.32Å; A1253-T1257 WeakPolarHBondContact O-CB 3.49Å; A1253-T1257 PolarHBondContact O-N 2.9Å; A1253-T1257 PolarHBondContact O-OG1 2.97Å |
| 1254 | N | 78.1 | Confident | 76.2 | Confident | 138 Ų | 138 | 70.1 Ų | 70.1 | 74% | 0.738 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -63.7 | -51.7 | 177.6 | -66.4 | -31.1 | 0 | 0 | 0 | 111.3 | H1252 T1257 Q1258 | H1252-N1254 VanDerWaalsContact C-N 3.26Å; H1252-N1254 PolarHBondContact O-N 3.22Å; N1254-T1257 WeakPolarHBondContact O-CB 3.47Å; N1254-T1257 PolarHBondContact O-N 3.3Å; N1254-Q1258 PolarHBondContact O-N 2.74Å |
| 1255 | D | 79.2 | Confident | 76.9 | Confident | 63 Ų | 63 | 74 Ų | 74 | 34% | 0.337 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | -179 | -57.8 | 10.2 | 0 | 0 | 0 | 111.8 | Y1177 H1252 T1257 Q1258 W1259 | Y1177-D1255 HydrophobicContact CE2-CB 3.58Å; Y1177-D1255 PolarHBondContact OH-OD2 3.38Å; H1252-D1255 PolarHBondContact O-N 3.43Å; D1255-T1257 VanDerWaalsContact C-N 3.33Å; D1255-T1257 PolarHBondContact O-N 3.37Å; D1255-Q1258 WeakPolarHBondContact O-CB 3.19Å; D1255-Q1258 PolarHBondContact O-N 3.27Å; D1255-Q1258 VanDerWaalsContact O-N 3.11Å; D1255-W1259 PolarHBondContact O-N 2.67Å |
| 1256 | I | 82.8 | Confident | 78.1 | Confident | 0 Ų | 0 | 76.5 Ų | 76.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -59.4 | -46.8 | 174.9 | -67.2 | 170.1 | 0 | 0 | 0 | 109.8 | Y1177 L1180 M1243 L1244 H1250 H1252 Q1258 W1259 V1260 | Y1177-I1256 HydrophobicContact CD2-CD1 4.38Å; Y1177-I1256 HydrophobicContact CD2-CG1 3.84Å; L1180-I1256 HydrophobicContact CD2-CB 4.27Å; L1180-I1256 HydrophobicContact CD2-CG1 3.93Å; L1180-I1256 HydrophobicContact CD2-CG2 3.71Å; M1243-I1256 HydrophobicContact CB-CD1 4.28Å; M1243-I1256 HydrophobicContact CE-CD1 3.69Å; M1243-I1256 HydrophobicContact SD-CD1 4.49Å; L1244-I1256 HydrophobicContact CD1-CG2 4.07Å; L1244-I1256 HydrophobicContact CD2-CB 3.94Å; L1244-I1256 HydrophobicContact CD2-CG2 3.77Å; L1244-I1256 HydrophobicContact CG-CB 4.43Å; L1244-I1256 HydrophobicContact CG-CG2 3.69Å; H1250-I1256 VanDerWaalsContact CE1-CD1 3.45Å; H1250-I1256 WeakPolarHBondContact CE1-CD1 3.5Å; H1250-I1256 WeakPolarHBondContact ND1-CD1 3.34Å; H1252-I1256 HydrophobicContact CB-CD1 4.3Å; H1252-I1256 HydrophobicContact CB-CG1 4.4Å; H1252-I1256 WeakPolarHBondContact O-CG1 3.28Å; H1252-I1256 PolarHBondContact O-N 3.02Å; I1256-Q1258 PolarHBondContact O-N 3.5Å; I1256-W1259 PolarHBondContact O-N 3.36Å; I1256-V1260 HydrophobicContact CG2-CG2 4.2Å; I1256-V1260 VanDerWaalsContact O-CB 3.31Å; I1256-V1260 WeakPolarHBondContact O-CB 3.48Å; I1256-V1260 VanDerWaalsContact O-CG2 3.22Å; I1256-V1260 WeakPolarHBondContact O-CG2 3.23Å; I1256-V1260 PolarHBondContact O-N 2.69Å |
| 1257 | T | 81.5 | Confident | 79.4 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 27% | 0.27 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.8 | -35.4 | 176.2 | -58.4 | 0 | 0 | 0 | 0 | 111.7 | L1244 A1253 N1254 D1255 K1261 | L1244-T1257 WeakPolarHBondContact CD2-OG1 3.31Å; A1253-T1257 VanDerWaalsContact O-CB 3.32Å; A1253-T1257 WeakPolarHBondContact O-CB 3.49Å; A1253-T1257 PolarHBondContact O-N 2.9Å; A1253-T1257 PolarHBondContact O-OG1 2.97Å; N1254-T1257 WeakPolarHBondContact O-CB 3.47Å; N1254-T1257 PolarHBondContact O-N 3.3Å; D1255-T1257 VanDerWaalsContact C-N 3.33Å; D1255-T1257 PolarHBondContact O-N 3.37Å; T1257-K1261 HydrophobicContact CG2-CD 4.15Å; T1257-K1261 WeakPolarHBondContact O-CB 3.41Å; T1257-K1261 WeakPolarHBondContact O-CD 3.43Å; T1257-K1261 WeakPolarHBondContact O-CG 3.45Å; T1257-K1261 PolarHBondContact O-N 3.42Å; T1257-K1261 VanDerWaalsContact O-N 3.17Å |
| 1258 | Q | 85 | Confident | 80.7 | Confident | 135 Ų | 135 | 64.3 Ų | 64.3 | 63% | 0.631 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.5 | -47.3 | 176.6 | -178 | 171 | -24.5 | 0 | 0 | 112.3 | N1254 D1255 I1256 K1261 T1262 | N1254-Q1258 PolarHBondContact O-N 2.74Å; D1255-Q1258 WeakPolarHBondContact O-CB 3.19Å; D1255-Q1258 PolarHBondContact O-N 3.27Å; D1255-Q1258 VanDerWaalsContact O-N 3.11Å; I1256-Q1258 PolarHBondContact O-N 3.5Å; Q1258-K1261 PolarHBondContact O-N 3.2Å; Q1258-T1262 WeakPolarHBondContact O-CB 3.48Å; Q1258-T1262 PolarHBondContact O-N 3.43Å; Q1258-T1262 PolarHBondContact O-OG1 3.21Å |
| 1259 | W | 86.8 | Confident | 81.9 | Confident | 63 Ų | 63 | 65.9 Ų | 65.9 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 176.4 | -75.4 | 121.6 | 0 | 0 | 0 | 111.8 | E1181 A1184 L1188 F1236 D1255 I1256 K1261 T1262 V1263 | E1181-W1259 HydrophobicContact CG-CZ2 3.98Å; A1184-W1259 HydrophobicContact CB-CB 4.04Å; A1184-W1259 HydrophobicContact CB-CD2 3.73Å; A1184-W1259 HydrophobicContact CB-CE3 3.53Å; A1184-W1259 HydrophobicContact CB-CG 3.98Å; A1184-W1259 HydrophobicContact CB-CZ3 4.2Å; L1188-W1259 HydrophobicContact CD1-CE3 4.09Å; L1188-W1259 HydrophobicContact CD1-CZ3 3.74Å; F1236-W1259 HydrophobicContact CZ-CB 4.22Å; D1255-W1259 PolarHBondContact O-N 2.67Å; I1256-W1259 PolarHBondContact O-N 3.36Å; W1259-K1261 VanDerWaalsContact C-N 3.33Å; W1259-K1261 PolarHBondContact O-N 3.39Å; W1259-T1262 PolarHBondContact O-N 2.87Å; W1259-T1262 VanDerWaalsContact O-N 3.15Å; W1259-V1263 WeakPolarHBondContact O-CG2 3.5Å; W1259-V1263 PolarHBondContact O-N 3.35Å |
| 1260 | V | 87.6 | Confident | 82.9 | Confident | 12 Ų | 12 | 58.3 Ų | 58.3 | 7% | 0.073 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -55.4 | -46.5 | 176 | 168.3 | 0 | 0 | 0 | 0 | 111.1 | F1236 L1237 I1256 K1264 | F1236-V1260 HydrophobicContact CE1-CG2 4.44Å; L1237-V1260 HydrophobicContact CD2-CB 4.41Å; L1237-V1260 HydrophobicContact CD2-CG1 3.82Å; L1237-V1260 WeakPolarHBondContact CD2-O 3.45Å; I1256-V1260 HydrophobicContact CG2-CG2 4.2Å; I1256-V1260 VanDerWaalsContact O-CB 3.31Å; I1256-V1260 WeakPolarHBondContact O-CB 3.48Å; I1256-V1260 VanDerWaalsContact O-CG2 3.22Å; I1256-V1260 WeakPolarHBondContact O-CG2 3.23Å; I1256-V1260 PolarHBondContact O-N 2.69Å; V1260-K1264 WeakPolarHBondContact O-CB 3.04Å; V1260-K1264 PolarHBondContact O-N 2.93Å; V1260-K1264 VanDerWaalsContact O-N 3.15Å |
| 1261 | K | 84.1 | Confident | 83.5 | Confident | 138 Ų | 138 | 58 Ų | 58 | 60% | 0.6 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -64.1 | -44.8 | 175.4 | -75.3 | 170.8 | -177.4 | 173.6 | 0 | 112.5 | T1257 Q1258 W1259 K1264 Q1265 | T1257-K1261 HydrophobicContact CG2-CD 4.15Å; T1257-K1261 WeakPolarHBondContact O-CB 3.41Å; T1257-K1261 WeakPolarHBondContact O-CD 3.43Å; T1257-K1261 WeakPolarHBondContact O-CG 3.45Å; T1257-K1261 PolarHBondContact O-N 3.42Å; T1257-K1261 VanDerWaalsContact O-N 3.17Å; Q1258-K1261 PolarHBondContact O-N 3.2Å; W1259-K1261 VanDerWaalsContact C-N 3.33Å; W1259-K1261 PolarHBondContact O-N 3.39Å; K1261-K1264 PolarHBondContact O-N 2.83Å; K1261-Q1265 VanDerWaalsContact O-CB 3.3Å; K1261-Q1265 WeakPolarHBondContact O-CB 3.45Å; K1261-Q1265 PolarHBondContact O-N 3.48Å |
| 1262 | T | 88.6 | Confident | 83.8 | Confident | 50 Ų | 50 | 55.7 Ų | 55.7 | 31% | 0.307 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66.4 | -47.2 | -174.7 | -56 | 0 | 0 | 0 | 0 | 111.9 | L1188 Q1258 W1259 Q1265 R1266 | L1188-T1262 HydrophobicContact CD1-CG2 4.08Å; L1188-T1262 HydrophobicContact CD2-CG2 4.24Å; Q1258-T1262 WeakPolarHBondContact O-CB 3.48Å; Q1258-T1262 PolarHBondContact O-N 3.43Å; Q1258-T1262 PolarHBondContact O-OG1 3.21Å; W1259-T1262 PolarHBondContact O-N 2.87Å; W1259-T1262 VanDerWaalsContact O-N 3.15Å; T1262-Q1265 PolarHBondContact O-N 3.41Å; T1262-R1266 PolarHBondContact O-N 2.9Å |
| 1263 | V | 88.7 | Confident | 84 | Confident | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 176.6 | 179.7 | 0 | 0 | 0 | 0 | 110.5 | A1184 L1187 L1188 V1233 F1236 W1259 Q1265 R1266 Y1267 | A1184-V1263 HydrophobicContact CB-CG2 4.07Å; L1187-V1263 HydrophobicContact CB-CG1 4.19Å; L1187-V1263 HydrophobicContact CD1-CG1 4.25Å; L1188-V1263 HydrophobicContact CD1-CG2 4.15Å; L1188-V1263 HydrophobicContact CD2-CG2 4.37Å; L1188-V1263 HydrophobicContact CG-CG2 4.01Å; V1233-V1263 HydrophobicContact CG1-CG1 4.07Å; V1233-V1263 HydrophobicContact CG2-CG1 4.12Å; F1236-V1263 HydrophobicContact CD1-CB 4.05Å; F1236-V1263 HydrophobicContact CD1-CG1 3.89Å; F1236-V1263 HydrophobicContact CD1-CG2 4.21Å; F1236-V1263 HydrophobicContact CE1-CB 3.62Å; F1236-V1263 HydrophobicContact CE1-CG1 3.99Å; F1236-V1263 HydrophobicContact CE1-CG2 3.53Å; F1236-V1263 HydrophobicContact CZ-CB 4.44Å; F1236-V1263 HydrophobicContact CZ-CG2 3.86Å; W1259-V1263 WeakPolarHBondContact O-CG2 3.5Å; W1259-V1263 PolarHBondContact O-N 3.35Å; V1263-Q1265 VanDerWaalsContact C-N 3.33Å; V1263-Q1265 PolarHBondContact O-N 2.95Å; V1263-R1266 PolarHBondContact O-N 3.49Å; V1263-Y1267 VanDerWaalsContact O-CB 3.29Å; V1263-Y1267 WeakPolarHBondContact O-CB 3.42Å; V1263-Y1267 PolarHBondContact O-N 3.26Å |
| 1264 | K | 88.3 | Confident | 84.4 | Confident | 89 Ų | 89 | 59.2 Ų | 59.2 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 178.3 | -164.8 | 167.8 | -168 | 165.1 | 0 | 111.7 | L1237 E1241 V1260 K1261 T1268 L1297 | L1237-K1264 HydrophobicContact CD1-CB 4.04Å; L1237-K1264 HydrophobicContact CD1-CD 4Å; L1237-K1264 HydrophobicContact CD1-CG 3.83Å; L1237-K1264 HydrophobicContact CD2-CB 3.83Å; L1237-K1264 HydrophobicContact CD2-CD 4.32Å; L1237-K1264 HydrophobicContact CD2-CG 4.38Å; E1241-K1264 IonicContact OE1-NZ 3.41Å; V1260-K1264 WeakPolarHBondContact O-CB 3.04Å; V1260-K1264 PolarHBondContact O-N 2.93Å; V1260-K1264 VanDerWaalsContact O-N 3.15Å; K1261-K1264 PolarHBondContact O-N 2.83Å; K1264-T1268 VanDerWaalsContact O-CB 3.31Å; K1264-T1268 WeakPolarHBondContact O-CB 3.25Å; K1264-T1268 PolarHBondContact O-N 2.99Å; K1264-T1268 VanDerWaalsContact O-N 3.14Å; K1264-T1268 PolarHBondContact O-OG1 2.87Å; K1264-L1297 HydrophobicContact CG-CD1 4.36Å |
| 1265 | Q | 86.4 | Confident | 84.4 | Confident | 114 Ų | 114 | 53.7 Ų | 53.7 | 53% | 0.533 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -58.3 | 176.4 | 178.8 | 176.7 | -12 | 0 | 0 | 111.4 | K1261 T1262 V1263 Y1267 T1268 E1269 | K1261-Q1265 VanDerWaalsContact O-CB 3.3Å; K1261-Q1265 WeakPolarHBondContact O-CB 3.45Å; K1261-Q1265 PolarHBondContact O-N 3.48Å; T1262-Q1265 PolarHBondContact O-N 3.41Å; V1263-Q1265 VanDerWaalsContact C-N 3.33Å; V1263-Q1265 PolarHBondContact O-N 2.95Å; Q1265-Y1267 VanDerWaalsContact C-N 3.33Å; Q1265-Y1267 PolarHBondContact O-N 3.01Å; Q1265-T1268 PolarHBondContact O-N 3.02Å; Q1265-E1269 HydrophobicContact CG-CG 4.44Å; Q1265-E1269 WeakPolarHBondContact CG-OE1 3.34Å; Q1265-E1269 PolarHBondContact NE2-OE1 2.91Å; Q1265-E1269 WeakPolarHBondContact O-CG 3.43Å; Q1265-E1269 PolarHBondContact O-N 3.43Å |
| 1266 | R | 86.8 | Confident | 84.5 | Confident | 107 Ų | 107 | 53.6 Ų | 53.6 | 40% | 0.404 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -61.5 | -39.4 | -175.6 | -72.6 | -59.4 | -165.5 | 90.6 | 3.7 | 112.8 | L1188 I1191 T1262 V1263 E1269 F1270 | L1188-R1266 HydrophobicContact CD2-CB 3.77Å; L1188-R1266 HydrophobicContact CD2-CG 3.81Å; I1191-R1266 HydrophobicContact CD1-CB 4.5Å; I1191-R1266 HydrophobicContact CG2-CB 4.44Å; T1262-R1266 PolarHBondContact O-N 2.9Å; V1263-R1266 PolarHBondContact O-N 3.49Å; R1266-E1269 WeakPolarHBondContact CD-OE2 3.4Å; R1266-E1269 PolarHBondContact O-N 3.45Å; R1266-F1270 WeakPolarHBondContact O-CB 3.43Å; R1266-F1270 PolarHBondContact O-N 3.35Å |
| 1267 | Y | 87.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -65 | -39.4 | 174.8 | -176.5 | -90 | 0 | 0 | 0 | 111.9 | I1191 R1230 V1233 V1263 Q1265 F1270 S1271 L1295 L1297 | I1191-Y1267 HydrophobicContact CD1-CD2 4.12Å; I1191-Y1267 HydrophobicContact CD1-CG 4.47Å; I1191-Y1267 HydrophobicContact CG1-CD2 4.24Å; R1230-Y1267 HydrophobicContact CB-CE2 4.46Å; R1230-Y1267 VanDerWaalsContact CB-OH 3.23Å; R1230-Y1267 WeakPolarHBondContact CB-OH 3.19Å; R1230-Y1267 HydrophobicContact CG-CE1 4.19Å; R1230-Y1267 WeakPolarHBondContact CG-OH 3.41Å; V1233-Y1267 HydrophobicContact CB-CD2 4.4Å; V1233-Y1267 HydrophobicContact CB-CG 4.36Å; V1233-Y1267 HydrophobicContact CG1-CD1 4.34Å; V1233-Y1267 HydrophobicContact CG1-CG 4.06Å; V1233-Y1267 HydrophobicContact CG2-CD2 3.77Å; V1233-Y1267 HydrophobicContact CG2-CE2 4.46Å; V1233-Y1267 HydrophobicContact CG2-CG 4.03Å; V1263-Y1267 VanDerWaalsContact O-CB 3.29Å; V1263-Y1267 WeakPolarHBondContact O-CB 3.42Å; V1263-Y1267 PolarHBondContact O-N 3.26Å; Q1265-Y1267 VanDerWaalsContact C-N 3.33Å; Q1265-Y1267 PolarHBondContact O-N 3.01Å; Y1267-F1270 HydrophobicContact CD2-CD1 4.07Å; Y1267-F1270 AromaticContact CE2-CD1 3.91Å; Y1267-F1270 HydrophobicContact CE2-CD1 3.91Å; Y1267-F1270 AromaticContact CE2-CE1 4Å; Y1267-F1270 HydrophobicContact CE2-CE1 4Å; Y1267-F1270 PolarHBondContact O-N 3.16Å; Y1267-S1271 WeakPolarHBondContact O-CB 3.49Å; Y1267-S1271 PolarHBondContact O-N 2.87Å; Y1267-L1295 WeakPolarHBondContact CE1-O 3.45Å; Y1267-L1295 PolarHBondContact OH-O 3.5Å; Y1267-L1297 HydrophobicContact CD1-CD1 3.9Å; Y1267-L1297 HydrophobicContact CD1-CD2 3.82Å; Y1267-L1297 HydrophobicContact CD1-CG 3.75Å; Y1267-L1297 HydrophobicContact CE1-CD1 4.48Å; Y1267-L1297 HydrophobicContact CE1-CD2 3.78Å; Y1267-L1297 HydrophobicContact CE1-CG 3.83Å |
| 1268 | T | 82.9 | Confident | 84.4 | Confident | 80 Ų | 80 | 53.2 Ų | 53.2 | 49% | 0.491 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.3 | -38.6 | 177.4 | -56.4 | 0 | 0 | 0 | 0 | 111.7 | K1264 Q1265 G1272 | K1264-T1268 VanDerWaalsContact O-CB 3.31Å; K1264-T1268 WeakPolarHBondContact O-CB 3.25Å; K1264-T1268 PolarHBondContact O-N 2.99Å; K1264-T1268 VanDerWaalsContact O-N 3.14Å; K1264-T1268 PolarHBondContact O-OG1 2.87Å; Q1265-T1268 PolarHBondContact O-N 3.02Å; T1268-G1272 PolarHBondContact O-N 3.49Å |
| 1269 | E | 81.5 | Confident | 84 | Confident | 76 Ų | 76 | 50.8 Ų | 50.8 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.8 | -47.6 | 173.3 | -71.1 | 170.8 | -174.3 | 0 | 0 | 111.6 | Q1265 R1266 G1272 K1273 | Q1265-E1269 HydrophobicContact CG-CG 4.44Å; Q1265-E1269 WeakPolarHBondContact CG-OE1 3.34Å; Q1265-E1269 PolarHBondContact NE2-OE1 2.91Å; Q1265-E1269 WeakPolarHBondContact O-CG 3.43Å; Q1265-E1269 PolarHBondContact O-N 3.43Å; R1266-E1269 WeakPolarHBondContact CD-OE2 3.4Å; R1266-E1269 PolarHBondContact O-N 3.45Å; E1269-G1272 PolarHBondContact O-N 3.01Å; E1269-K1273 VanDerWaalsContact O-CG 3.29Å; E1269-K1273 WeakPolarHBondContact O-CG 3.48Å; E1269-K1273 PolarHBondContact O-N 3.07Å |
| 1270 | F | 85.2 | Confident | 83.6 | Confident | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -59.4 | -49.5 | 174.2 | 158.8 | -105.1 | 0 | 0 | 0 | 112.4 | W1190 I1191 G1195 L1199 F1222 A1226 R1266 Y1267 G1272 K1273 M1274 L1295 | W1190-F1270 AromaticContact CH2-CE1 3.99Å; W1190-F1270 HydrophobicContact CH2-CE1 3.99Å; W1190-F1270 AromaticContact CH2-CZ 3.84Å; W1190-F1270 HydrophobicContact CH2-CZ 3.84Å; W1190-F1270 HydrophobicContact CZ3-CD1 4.47Å; W1190-F1270 AromaticContact CZ3-CE1 3.81Å; W1190-F1270 HydrophobicContact CZ3-CE1 3.81Å; W1190-F1270 HydrophobicContact CZ3-CZ 4.05Å; I1191-F1270 HydrophobicContact CG2-CB 3.93Å; I1191-F1270 HydrophobicContact CG2-CG 4.36Å; G1195-F1270 VanDerWaalsContact C-CE2 3.47Å; G1195-F1270 WeakPolarHBondContact O-CE2 3.26Å; L1199-F1270 HydrophobicContact CD1-CD2 3.87Å; L1199-F1270 HydrophobicContact CD1-CE2 4.05Å; F1222-F1270 HydrophobicContact CE1-CE2 4.41Å; F1222-F1270 HydrophobicContact CE1-CZ 4.16Å; A1226-F1270 HydrophobicContact CB-CZ 4.39Å; R1266-F1270 WeakPolarHBondContact O-CB 3.43Å; R1266-F1270 PolarHBondContact O-N 3.35Å; Y1267-F1270 HydrophobicContact CD2-CD1 4.07Å; Y1267-F1270 AromaticContact CE2-CD1 3.91Å; Y1267-F1270 HydrophobicContact CE2-CD1 3.91Å; Y1267-F1270 AromaticContact CE2-CE1 4Å; Y1267-F1270 HydrophobicContact CE2-CE1 4Å; Y1267-F1270 PolarHBondContact O-N 3.16Å; F1270-G1272 VanDerWaalsContact C-N 3.31Å; F1270-G1272 PolarHBondContact O-N 3.35Å; F1270-K1273 WeakPolarHBondContact O-CB 3.33Å; F1270-K1273 PolarHBondContact O-N 2.91Å; F1270-K1273 VanDerWaalsContact O-N 3.13Å; F1270-M1274 HydrophobicContact CE2-CE 3.55Å; F1270-M1274 HydrophobicContact CZ-CE 3.84Å; F1270-M1274 PolarHBondContact O-N 3.49Å; F1270-L1295 HydrophobicContact CE1-CD1 4.26Å; F1270-L1295 HydrophobicContact CZ-CD1 4.39Å |
| 1271 | S | 83.9 | Confident | 83.2 | Confident | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.042 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.4 | -43.6 | 177.6 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | Y1267 M1274 D1275 L1295 | Y1267-S1271 WeakPolarHBondContact O-CB 3.49Å; Y1267-S1271 PolarHBondContact O-N 2.87Å; S1271-M1274 PolarHBondContact O-N 3.04Å; S1271-D1275 PolarHBondContact O-N 3.09Å; S1271-L1295 VanDerWaalsContact OG-C 3.22Å; S1271-L1295 PolarHBondContact OG-O 3.31Å; S1271-L1295 VanDerWaalsContact OG-O 3.06Å |
| 1272 | G | 81.1 | Confident | 82.9 | Confident | 31 Ų | 31 | 45.3 Ų | 45.3 | 32% | 0.32 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -65.4 | -38.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | T1268 E1269 F1270 M1274 A1276 | T1268-G1272 PolarHBondContact O-N 3.49Å; E1269-G1272 PolarHBondContact O-N 3.01Å; F1270-G1272 VanDerWaalsContact C-N 3.31Å; F1270-G1272 PolarHBondContact O-N 3.35Å; G1272-M1274 VanDerWaalsContact C-N 3.33Å; G1272-A1276 WeakPolarHBondContact O-CB 3.48Å; G1272-A1276 PolarHBondContact O-N 3.44Å; G1272-A1276 VanDerWaalsContact O-N 3.16Å |
| 1273 | K | 83.8 | Confident | 82.2 | Confident | 96 Ų | 96 | 47.3 Ų | 47.3 | 42% | 0.417 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.2 | -38.3 | 172.9 | -66.7 | 165.9 | -170.1 | -177.1 | 0 | 111.4 | E1196 L1199 E1269 F1270 A1276 Y1277 | E1196-K1273 IonicContact OE1-NZ 2.77Å; E1196-K1273 PolarHBondContact OE1-NZ 3.44Å; L1199-K1273 HydrophobicContact CD1-CB 3.64Å; L1199-K1273 HydrophobicContact CD1-CD 4.49Å; E1269-K1273 VanDerWaalsContact O-CG 3.29Å; E1269-K1273 WeakPolarHBondContact O-CG 3.48Å; E1269-K1273 PolarHBondContact O-N 3.07Å; F1270-K1273 WeakPolarHBondContact O-CB 3.33Å; F1270-K1273 PolarHBondContact O-N 2.91Å; F1270-K1273 VanDerWaalsContact O-N 3.13Å; K1273-A1276 PolarHBondContact O-N 2.83Å; K1273-Y1277 PolarHBondContact O-N 3.32Å |
| 1274 | M | 82.8 | Confident | 81.5 | Confident | 2 Ų | 2 | 50.2 Ų | 50.2 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.3 | -44.3 | 179.6 | -166.7 | 63.1 | 71 | 0 | 0 | 112.8 | Y1198 L1199 H1219 F1222 V1223 F1270 S1271 G1272 A1276 Y1277 R1278 L1295 | Y1198-M1274 HydrophobicContact CD1-CE 3.89Å; Y1198-M1274 HydrophobicContact CD1-SD 4.45Å; Y1198-M1274 HydrophobicContact CE1-CE 4.32Å; Y1198-M1274 HydrophobicContact CE1-SD 4.31Å; L1199-M1274 HydrophobicContact CD1-CE 3.98Å; L1199-M1274 HydrophobicContact CD2-CE 3.87Å; L1199-M1274 HydrophobicContact CD2-SD 3.83Å; L1199-M1274 HydrophobicContact CG-CE 3.68Å; L1199-M1274 HydrophobicContact CG-SD 4.33Å; H1219-M1274 PolarHBondContact CE1-SD 3.33Å; H1219-M1274 PolarHBondContact ND1-SD 3.35Å; F1222-M1274 HydrophobicContact CD1-CE 3.6Å; F1222-M1274 HydrophobicContact CD1-SD 4.45Å; F1222-M1274 HydrophobicContact CE1-CE 3.49Å; F1222-M1274 VanDerWaalsContact CE1-CE 3.49Å; V1223-M1274 HydrophobicContact CG2-CG 4.09Å; F1270-M1274 HydrophobicContact CE2-CE 3.55Å; F1270-M1274 HydrophobicContact CZ-CE 3.84Å; F1270-M1274 PolarHBondContact O-N 3.49Å; S1271-M1274 PolarHBondContact O-N 3.04Å; G1272-M1274 VanDerWaalsContact C-N 3.33Å; M1274-A1276 PolarHBondContact O-N 3.29Å; M1274-Y1277 PolarHBondContact O-N 3.38Å; M1274-Y1277 HydrophobicContact SD-CD1 4.49Å; M1274-R1278 PolarHBondContact O-N 3.26Å; M1274-L1295 HydrophobicContact CB-CD1 3.99Å; M1274-L1295 HydrophobicContact CG-CD1 3.62Å |
| 1275 | D | 78.7 | Confident | 80.8 | Confident | 21 Ų | 21 | 47.7 Ų | 47.7 | 11% | 0.112 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -54.2 | -41.9 | 169.8 | -85.2 | -2.7 | 0 | 0 | 0 | 111.1 | S1271 R1278 M1279 R1293 | S1271-D1275 PolarHBondContact O-N 3.09Å; D1275-R1278 WeakPolarHBondContact O-CB 3.13Å; D1275-M1279 VanDerWaalsContact O-CG 3.23Å; D1275-M1279 WeakPolarHBondContact O-CG 3.24Å; D1275-M1279 PolarHBondContact O-N 2.78Å; D1275-M1279 VanDerWaalsContact O-N 3.17Å; D1275-R1293 WeakPolarHBondContact OD1-CA 2.99Å; D1275-R1293 WeakPolarHBondContact OD2-CB 3.35Å; D1275-R1293 WeakPolarHBondContact OD2-CG 3.34Å; D1275-R1293 IonicContact OD2-CZ 2.73Å; D1275-R1293 IonicContact OD2-NE 3.28Å; D1275-R1293 PolarHBondContact OD2-NE 3.4Å; D1275-R1293 IonicContact OD2-NH2 3.78Å; D1275-R1293 PolarHBondContact OD2-NH2 3.44Å |
| 1276 | A | 80.7 | Confident | 79.4 | Confident | 62 Ų | 62 | 45.7 Ų | 45.7 | 51% | 0.512 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -70.3 | -39.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1272 K1273 M1274 M1279 K1280 | G1272-A1276 WeakPolarHBondContact O-CB 3.48Å; G1272-A1276 PolarHBondContact O-N 3.44Å; G1272-A1276 VanDerWaalsContact O-N 3.16Å; K1273-A1276 PolarHBondContact O-N 2.83Å; M1274-A1276 PolarHBondContact O-N 3.29Å; A1276-M1279 PolarHBondContact O-N 3.45Å; A1276-K1280 PolarHBondContact O-N 2.84Å; A1276-K1280 VanDerWaalsContact O-N 3.16Å |
| 1277 | Y | 81.7 | Confident | 77.9 | Confident | 3 Ų | 3 | 47 Ų | 47 | 1% | 0.012 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.1 | -41.5 | 174.3 | 178 | -113.7 | 0 | 0 | 0 | 111.6 | Y1198 L1199 H1202 M1203 H1219 K1273 M1274 M1279 K1280 L1281 | Y1198-Y1277 HydrophobicContact CE1-CE1 4.31Å; L1199-Y1277 HydrophobicContact CD2-CD1 4.3Å; L1199-Y1277 HydrophobicContact CD2-CG 4.1Å; H1202-Y1277 HydrophobicContact CB-CE1 4.22Å; H1202-Y1277 HydrophobicContact CB-CE2 4.25Å; H1202-Y1277 WeakPolarHBondContact CB-OH 3.23Å; M1203-Y1277 HydrophobicContact CG-CD2 3.86Å; M1203-Y1277 HydrophobicContact CG-CE2 4.43Å; M1203-Y1277 HydrophobicContact SD-CD2 3.71Å; M1203-Y1277 HydrophobicContact SD-CG 4.4Å; H1219-Y1277 HydrophobicContact CB-CE1 4.26Å; H1219-Y1277 AromaticContact ND1-CD1 3.64Å; K1273-Y1277 PolarHBondContact O-N 3.32Å; M1274-Y1277 PolarHBondContact O-N 3.38Å; M1274-Y1277 HydrophobicContact SD-CD1 4.49Å; Y1277-M1279 PolarHBondContact O-N 3.09Å; Y1277-K1280 WeakPolarHBondContact O-CB 3.37Å; Y1277-K1280 PolarHBondContact O-N 3.18Å; Y1277-L1281 HydrophobicContact CD1-CD1 4.39Å; Y1277-L1281 HydrophobicContact CE1-CD1 3.7Å; Y1277-L1281 HydrophobicContact CE1-CG 4.36Å; Y1277-L1281 HydrophobicContact CE2-CD1 4.47Å; Y1277-L1281 HydrophobicContact CE2-CD2 4.41Å; Y1277-L1281 HydrophobicContact CE2-CG 4.3Å; Y1277-L1281 PolarHBondContact O-N 3.43Å |
| 1278 | R | 80.8 | Confident | 76 | Confident | 33 Ų | 33 | 52.8 Ų | 52.8 | 13% | 0.125 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -53.2 | -52.8 | 172.3 | -171.7 | -177.2 | 168.5 | 130.4 | 21.7 | 112.1 | H1219 M1274 D1275 K1280 L1281 E1282 D1294 | H1219-R1278 VanDerWaalsContact NE2-CB 3.28Å; H1219-R1278 WeakPolarHBondContact NE2-CB 3.22Å; H1219-R1278 WeakPolarHBondContact NE2-CG 3.33Å; M1274-R1278 PolarHBondContact O-N 3.26Å; D1275-R1278 WeakPolarHBondContact O-CB 3.13Å; R1278-K1280 PolarHBondContact O-N 3.18Å; R1278-L1281 PolarHBondContact O-N 2.86Å; R1278-L1281 VanDerWaalsContact O-N 3.09Å; R1278-E1282 HydrophobicContact CG-CG 4.45Å; R1278-E1282 IonicContact CZ-OE1 3.73Å; R1278-E1282 VanDerWaalsContact CZ-OE1 3.24Å; R1278-E1282 IonicContact NE-OE1 3.47Å; R1278-E1282 PolarHBondContact NE-OE1 2.92Å; R1278-E1282 IonicContact NH2-OE1 3.59Å; R1278-E1282 PolarHBondContact NH2-OE1 3.46Å; R1278-E1282 PolarHBondContact O-N 3.02Å; R1278-D1294 IonicContact NH1-OD1 3.87Å; R1278-D1294 IonicContact NH1-OD2 3.57Å |
| 1279 | M | 77.1 | Confident | 74.4 | Confident | 84 Ų | 84 | 50.6 Ų | 50.6 | 41% | 0.414 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -62.2 | -32.5 | -177.8 | -66.3 | -98.6 | 70.4 | 0 | 0 | 112.2 | D1275 A1276 Y1277 E1282 S1283 | D1275-M1279 VanDerWaalsContact O-CG 3.23Å; D1275-M1279 WeakPolarHBondContact O-CG 3.24Å; D1275-M1279 PolarHBondContact O-N 2.78Å; D1275-M1279 VanDerWaalsContact O-N 3.17Å; A1276-M1279 PolarHBondContact O-N 3.45Å; Y1277-M1279 PolarHBondContact O-N 3.09Å; M1279-E1282 VanDerWaalsContact CE-OE2 3.29Å; M1279-E1282 WeakPolarHBondContact CE-OE2 3.41Å; M1279-S1283 WeakPolarHBondContact O-CB 3.46Å; M1279-S1283 PolarHBondContact O-N 2.95Å; M1279-S1283 VanDerWaalsContact O-N 3.11Å |
| 1280 | K | 78.5 | Confident | 72.6 | Confident | 85 Ų | 85 | 55.9 Ų | 55.9 | 37% | 0.37 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 173.5 | -173.1 | -173.4 | 175.9 | -173.3 | 0 | 111.8 | M1203 A1276 Y1277 R1278 I1284 | M1203-K1280 PolarHBondContact O-NZ 3.05Å; A1276-K1280 PolarHBondContact O-N 2.84Å; A1276-K1280 VanDerWaalsContact O-N 3.16Å; Y1277-K1280 WeakPolarHBondContact O-CB 3.37Å; Y1277-K1280 PolarHBondContact O-N 3.18Å; R1278-K1280 PolarHBondContact O-N 3.18Å; K1280-I1284 WeakPolarHBondContact O-CD1 3.36Å; K1280-I1284 WeakPolarHBondContact O-CG1 3.24Å |
| 1281 | L | 78.7 | Confident | 71 | Confident | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -69.5 | -49.7 | 177.4 | -66.5 | 177 | 0 | 0 | 0 | 112.4 | L1207 L1215 L1216 H1219 Y1277 R1278 S1283 I1284 L1285 | L1207-L1281 HydrophobicContact CD1-CD2 3.49Å; L1207-L1281 VanDerWaalsContact CD1-CD2 3.49Å; L1215-L1281 HydrophobicContact CB-CD1 4.21Å; L1215-L1281 HydrophobicContact CB-CD2 3.95Å; L1215-L1281 HydrophobicContact CD1-CD2 4.29Å; L1216-L1281 HydrophobicContact CB-CD1 4.39Å; L1216-L1281 HydrophobicContact CD1-CB 4.03Å; L1216-L1281 HydrophobicContact CD1-CD1 4.19Å; H1219-L1281 HydrophobicContact CB-CD1 4.07Å; Y1277-L1281 HydrophobicContact CD1-CD1 4.39Å; Y1277-L1281 HydrophobicContact CE1-CD1 3.7Å; Y1277-L1281 HydrophobicContact CE1-CG 4.36Å; Y1277-L1281 HydrophobicContact CE2-CD1 4.47Å; Y1277-L1281 HydrophobicContact CE2-CD2 4.41Å; Y1277-L1281 HydrophobicContact CE2-CG 4.3Å; Y1277-L1281 PolarHBondContact O-N 3.43Å; R1278-L1281 PolarHBondContact O-N 2.86Å; R1278-L1281 VanDerWaalsContact O-N 3.09Å; L1281-S1283 VanDerWaalsContact C-N 3.26Å; L1281-S1283 PolarHBondContact O-N 3.33Å; L1281-I1284 PolarHBondContact O-N 3.22Å; L1281-I1284 VanDerWaalsContact O-N 3.13Å; L1281-L1285 PolarHBondContact O-N 3.32Å |
| 1282 | E | 78.3 | Confident | 69.5 | Low | 13 Ų | 13 | 63.5 Ų | 63.5 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.5 | -37.5 | -179.2 | -70.3 | -177.4 | 173.1 | 0 | 0 | 112.1 | L1216 R1278 M1279 I1284 L1285 G1286 R1287 G1289 | L1216-E1282 HydrophobicContact CD1-CG 4.04Å; L1216-E1282 HydrophobicContact CD2-CG 4.39Å; R1278-E1282 HydrophobicContact CG-CG 4.45Å; R1278-E1282 IonicContact CZ-OE1 3.73Å; R1278-E1282 VanDerWaalsContact CZ-OE1 3.24Å; R1278-E1282 IonicContact NE-OE1 3.47Å; R1278-E1282 PolarHBondContact NE-OE1 2.92Å; R1278-E1282 IonicContact NH2-OE1 3.59Å; R1278-E1282 PolarHBondContact NH2-OE1 3.46Å; R1278-E1282 PolarHBondContact O-N 3.02Å; M1279-E1282 VanDerWaalsContact CE-OE2 3.29Å; M1279-E1282 WeakPolarHBondContact CE-OE2 3.41Å; E1282-I1284 PolarHBondContact O-N 3.01Å; E1282-L1285 PolarHBondContact O-N 2.75Å; E1282-G1286 PolarHBondContact O-N 2.87Å; E1282-R1287 PolarHBondContact O-N 3.01Å; E1282-G1289 WeakPolarHBondContact OE2-CA 3.46Å |
| 1283 | S | 73.3 | Confident | 68.6 | Low | 91 Ų | 91 | 69.1 Ų | 69.1 | 64% | 0.636 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59.6 | -42.7 | 175.1 | -177.4 | 0 | 0 | 0 | 0 | 113 | M1279 L1281 L1285 G1286 | M1279-S1283 WeakPolarHBondContact O-CB 3.46Å; M1279-S1283 PolarHBondContact O-N 2.95Å; M1279-S1283 VanDerWaalsContact O-N 3.11Å; L1281-S1283 VanDerWaalsContact C-N 3.26Å; L1281-S1283 PolarHBondContact O-N 3.33Å; S1283-L1285 VanDerWaalsContact C-N 3.29Å; S1283-L1285 PolarHBondContact O-N 3.08Å; S1283-G1286 PolarHBondContact O-N 2.67Å |
| 1284 | I | 74 | Confident | 67.7 | Low | 62 Ų | 62 | 65.8 Ų | 65.8 | 32% | 0.318 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -70.7 | -27.5 | -179.5 | -68.3 | 165.1 | 0 | 0 | 0 | 111.6 | L1207 A1212 K1280 L1281 E1282 G1286 | L1207-I1284 HydrophobicContact CB-CD1 4.32Å; L1207-I1284 HydrophobicContact CB-CG2 4.39Å; L1207-I1284 HydrophobicContact CD1-CD1 3.9Å; L1207-I1284 HydrophobicContact CG-CD1 4.42Å; A1212-I1284 HydrophobicContact CB-CB 4.32Å; A1212-I1284 HydrophobicContact CB-CG2 3.79Å; K1280-I1284 WeakPolarHBondContact O-CD1 3.36Å; K1280-I1284 WeakPolarHBondContact O-CG1 3.24Å; L1281-I1284 PolarHBondContact O-N 3.22Å; L1281-I1284 VanDerWaalsContact O-N 3.13Å; E1282-I1284 PolarHBondContact O-N 3.01Å; I1284-G1286 VanDerWaalsContact C-N 3.28Å; I1284-G1286 PolarHBondContact O-N 3.22Å |
| 1285 | L | 73 | Confident | 67.3 | Low | 35 Ų | 35 | 65.8 Ų | 65.8 | 18% | 0.183 | 37% | 0.37 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -2.6 | 175.3 | -68.6 | 168.6 | 0 | 0 | 0 | 114.1 | T1209 A1212 D1213 L1216 L1281 E1282 S1283 R1287 | T1209-L1285 WeakPolarHBondContact O-CD2 3.25Å; A1212-L1285 HydrophobicContact CB-CD1 4.44Å; A1212-L1285 HydrophobicContact CB-CD2 3.84Å; A1212-L1285 HydrophobicContact CB-CG 3.86Å; D1213-L1285 HydrophobicContact CB-CD1 4.31Å; D1213-L1285 HydrophobicContact CB-CD2 3.86Å; L1216-L1285 HydrophobicContact CB-CD1 4.22Å; L1216-L1285 HydrophobicContact CD2-CD1 3.74Å; L1281-L1285 PolarHBondContact O-N 3.32Å; E1282-L1285 PolarHBondContact O-N 2.75Å; S1283-L1285 VanDerWaalsContact C-N 3.29Å; S1283-L1285 PolarHBondContact O-N 3.08Å; L1285-R1287 HydrophobicContact CB-CG 4.24Å; L1285-R1287 PolarHBondContact O-N 2.93Å; L1285-R1287 VanDerWaalsContact O-N 3.13Å |
| 1286 | G | 57.8 | Low | 66.8 | Low | 72 Ų | 72 | 66 Ų | 66 | 74% | 0.742 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 13 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1282 S1283 I1284 | E1282-G1286 PolarHBondContact O-N 2.87Å; S1283-G1286 PolarHBondContact O-N 2.67Å; I1284-G1286 VanDerWaalsContact C-N 3.28Å; I1284-G1286 PolarHBondContact O-N 3.22Å |
| 1287 | R | 55.3 | Low | 66.1 | Low | 134 Ų | 134 | 64.4 Ų | 64.4 | 51% | 0.506 | 36% | 0.358 | S | S | . | . | trans | -80 | 121.3 | 176.1 | -68.9 | -176.2 | -179.6 | 141.1 | 13.9 | 108.3 | D1213 E1282 L1285 G1289 | D1213-R1287 IonicContact OD1-CZ 3.36Å; D1213-R1287 VanDerWaalsContact OD1-CZ 3.24Å; D1213-R1287 IonicContact OD1-NH1 2.76Å; D1213-R1287 PolarHBondContact OD1-NH1 2.8Å; D1213-R1287 IonicContact OD1-NH2 3.44Å; D1213-R1287 PolarHBondContact OD1-NH2 2.88Å; E1282-R1287 PolarHBondContact O-N 3.01Å; L1285-R1287 HydrophobicContact CB-CG 4.24Å; L1285-R1287 PolarHBondContact O-N 2.93Å; L1285-R1287 VanDerWaalsContact O-N 3.13Å; R1287-G1289 PolarHBondContact O-N 3.08Å | ||
| 1288 | S | 46.4 | Very low | 64.9 | Low | 123 Ų | 123 | 71.5 Ų | 71.5 | 86% | 0.86 | 40% | 0.396 | S | S | * | . | trans | -71.3 | 80.4 | 172.5 | 60.7 | 0 | 0 | 0 | 0 | 110.2 | K1290 | S1288-K1290 PolarHBondContact O-N 2.99Š| ||
| 1289 | G | 50.7 | Low | 63.3 | Low | 33 Ų | 33 | 75 Ų | 75 | 34% | 0.34 | 41% | 0.409 | S | S | . | . | trans | -58.1 | 129.2 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113 | E1282 R1287 | E1282-G1289 WeakPolarHBondContact OE2-CA 3.46Å; R1287-G1289 PolarHBondContact O-N 3.08Å | ||
| 1290 | K | 44.1 | Very low | 61.6 | Low | 187 Ų | 187 | 80 Ų | 80 | 81% | 0.813 | 43% | 0.432 | S | S | * | . | trans | -70.8 | 138.1 | 162.1 | -68.1 | 178.3 | 179.8 | 176.2 | 0 | 107.6 | S1288 S1292 | S1288-K1290 PolarHBondContact O-N 2.99Å; K1290-S1292 VanDerWaalsContact C-N 3.29Å; K1290-S1292 PolarHBondContact O-N 3.03Å | ||
| 1291 | T | 50.2 | Low | 59.5 | Low | 121 Ų | 121 | 78 Ų | 78 | 74% | 0.742 | 43% | 0.428 | S | S | * | . | trans | -68.7 | 76.6 | -175.2 | 54.2 | 0 | 0 | 0 | 0 | 112.8 | R1293 | T1291-R1293 PolarHBondContact O-N 3.42Š| ||
| 1292 | S | 52.1 | Low | 57.2 | Low | 46 Ų | 46 | 84.1 Ų | 84.1 | 32% | 0.322 | 46% | 0.461 | S | S | . | . | trans | -92.4 | 88.4 | -178 | -151.2 | 0 | 0 | 0 | 0 | 111.2 | K1290 D1294 | K1290-S1292 VanDerWaalsContact C-N 3.29Å; K1290-S1292 PolarHBondContact O-N 3.03Å; S1292-D1294 WeakPolarHBondContact CB-OD1 3.39Å; S1292-D1294 PolarHBondContact O-N 2.9Å; S1292-D1294 PolarHBondContact OG-OD1 3.13Å | ||
| 1293 | R | 61.9 | Low | 55.3 | Low | 149 Ų | 149 | 88.6 Ų | 88.6 | 56% | 0.562 | 49% | 0.493 | S | S | * | . | trans | -79.1 | 67.3 | 179 | -52.1 | -172 | 78.7 | 169.7 | 7.2 | 110.6 | D1275 T1291 L1295 A1296 | D1275-R1293 WeakPolarHBondContact OD1-CA 2.99Å; D1275-R1293 WeakPolarHBondContact OD2-CB 3.35Å; D1275-R1293 WeakPolarHBondContact OD2-CG 3.34Å; D1275-R1293 IonicContact OD2-CZ 2.73Å; D1275-R1293 IonicContact OD2-NE 3.28Å; D1275-R1293 PolarHBondContact OD2-NE 3.4Å; D1275-R1293 IonicContact OD2-NH2 3.78Å; D1275-R1293 PolarHBondContact OD2-NH2 3.44Å; T1291-R1293 PolarHBondContact O-N 3.42Å; R1293-L1295 VanDerWaalsContact C-N 3.28Å; R1293-L1295 PolarHBondContact O-N 2.9Å; R1293-A1296 HydrophobicContact CB-CB 4.06Å; R1293-A1296 WeakPolarHBondContact O-CB 3.49Å; R1293-A1296 PolarHBondContact O-N 2.95Å | ||
| 1294 | D | 66.6 | Low | 53.5 | Low | 26 Ų | 26 | 88 Ų | 88 | 14% | 0.139 | 49% | 0.489 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -28.4 | -164.5 | -90.5 | 31 | 0 | 0 | 0 | 114.5 | V1223 K1227 R1230 R1278 S1292 | V1223-D1294 HydrophobicContact CG1-CB 3.93Å; K1227-D1294 WeakPolarHBondContact CE-OD2 3.31Å; K1227-D1294 IonicContact NZ-OD2 3.22Å; K1227-D1294 PolarHBondContact NZ-OD2 2.97Å; R1230-D1294 PolarHBondContact NH1-O 3.26Å; R1278-D1294 IonicContact NH1-OD1 3.87Å; R1278-D1294 IonicContact NH1-OD2 3.57Å; S1292-D1294 WeakPolarHBondContact CB-OD1 3.39Å; S1292-D1294 PolarHBondContact O-N 2.9Å; S1292-D1294 PolarHBondContact OG-OD1 3.13Å |
| 1295 | L | 73.2 | Confident | 51.6 | Low | 2 Ų | 2 | 90 Ų | 90 | 1% | 0.01 | 50% | 0.5 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -0.6 | -178.3 | -67.2 | -177.8 | 0 | 0 | 0 | 113.9 | V1223 A1226 K1227 Y1267 F1270 S1271 M1274 R1293 | V1223-L1295 HydrophobicContact CG1-CD2 4.38Å; V1223-L1295 HydrophobicContact CG1-CG 4.36Å; V1223-L1295 HydrophobicContact CG2-CD1 4.27Å; A1226-L1295 HydrophobicContact CB-CD1 3.99Å; A1226-L1295 HydrophobicContact CB-CD2 3.77Å; K1227-L1295 HydrophobicContact CG-CD2 3.92Å; Y1267-L1295 WeakPolarHBondContact CE1-O 3.45Å; Y1267-L1295 PolarHBondContact OH-O 3.5Å; F1270-L1295 HydrophobicContact CE1-CD1 4.26Å; F1270-L1295 HydrophobicContact CZ-CD1 4.39Å; S1271-L1295 VanDerWaalsContact OG-C 3.22Å; S1271-L1295 PolarHBondContact OG-O 3.31Å; S1271-L1295 VanDerWaalsContact OG-O 3.06Å; M1274-L1295 HydrophobicContact CB-CD1 3.99Å; M1274-L1295 HydrophobicContact CG-CD1 3.62Å; R1293-L1295 VanDerWaalsContact C-N 3.28Å; R1293-L1295 PolarHBondContact O-N 2.9Å |
| 1296 | A | 68.7 | Low | 49.7 | Very low | 25 Ų | 25 | 94.4 Ų | 94.4 | 21% | 0.207 | 52% | 0.524 | C | S | . | . | trans | -69.6 | 133 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1293 D1298 R1299 | R1293-A1296 HydrophobicContact CB-CB 4.06Å; R1293-A1296 WeakPolarHBondContact O-CB 3.49Å; R1293-A1296 PolarHBondContact O-N 2.95Å; A1296-D1298 PolarHBondContact O-N 3.41Å; A1296-R1299 PolarHBondContact O-N 3.41Å | ||
| 1297 | L | 66.4 | Low | 48.6 | Very low | 28 Ų | 28 | 98.1 Ų | 98.1 | 15% | 0.147 | 52% | 0.522 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -29.7 | -176.1 | -70.9 | 171.4 | 0 | 0 | 0 | 113.6 | R1230 V1233 R1234 L1237 K1264 Y1267 R1299 | R1230-L1297 HydrophobicContact CG-CD2 4.16Å; V1233-L1297 HydrophobicContact CG1-CD2 4.08Å; R1234-L1297 PolarHBondContact NH2-O 3.14Å; L1237-L1297 HydrophobicContact CD1-CD1 4.19Å; K1264-L1297 HydrophobicContact CG-CD1 4.36Å; Y1267-L1297 HydrophobicContact CD1-CD1 3.9Å; Y1267-L1297 HydrophobicContact CD1-CD2 3.82Å; Y1267-L1297 HydrophobicContact CD1-CG 3.75Å; Y1267-L1297 HydrophobicContact CE1-CD1 4.48Å; Y1267-L1297 HydrophobicContact CE1-CD2 3.78Å; Y1267-L1297 HydrophobicContact CE1-CG 3.83Å; L1297-R1299 VanDerWaalsContact C-N 3.32Å; L1297-R1299 PolarHBondContact O-N 2.95Å |
| 1298 | D | 56 | Low | 47.5 | Very low | 152 Ų | 152 | 98.7 Ų | 98.7 | 81% | 0.813 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -3.3 | -177 | -66.1 | -27.8 | 0 | 0 | 0 | 114.3 | A1296 Q1300 | A1296-D1298 PolarHBondContact O-N 3.41Å; D1298-Q1300 PolarHBondContact O-N 2.85Å |
| 1299 | R | 47.1 | Very low | 46.8 | Very low | 106 Ų | 106 | 97.3 Ų | 97.3 | 40% | 0.4 | 51% | 0.511 | S | S | . | . | trans | -73.3 | 101.8 | -179.1 | -139.2 | 178.5 | 88.7 | 88.1 | -1.9 | 110.8 | R1234 A1296 L1297 S1301 | R1234-R1299 PolarHBondContact NH2-O 3.08Å; A1296-R1299 PolarHBondContact O-N 3.41Å; L1297-R1299 VanDerWaalsContact C-N 3.32Å; L1297-R1299 PolarHBondContact O-N 2.95Å; R1299-S1301 VanDerWaalsContact C-N 3.32Å; R1299-S1301 PolarHBondContact O-N 3.35Å; R1299-S1301 VanDerWaalsContact O-N 3.15Å | ||
| 1300 | Q | 41.7 | Very low | 46.1 | Very low | 191 Ų | 191 | 98.6 Ų | 98.6 | 89% | 0.893 | 52% | 0.518 | S | S | * | . | trans | -80.4 | 73.1 | 171 | -64.1 | -179.7 | -3.8 | 0 | 0 | 110 | D1298 | D1298-Q1300 PolarHBondContact O-N 2.85Š| ||
| 1301 | S | 34.3 | Very low | 45.7 | Very low | 43 Ų | 43 | 93.9 Ų | 93.9 | 30% | 0.301 | 50% | 0.502 | S | S | . | . | trans | -95.4 | 108.7 | -173.3 | 60.1 | 0 | 0 | 0 | 0 | 113.8 | R1299 | R1299-S1301 VanDerWaalsContact C-N 3.32Å; R1299-S1301 PolarHBondContact O-N 3.35Å; R1299-S1301 VanDerWaalsContact O-N 3.15Å | ||
| 1302 | D | 30.1 | Very low | 44.9 | Very low | 128 Ų | 128 | 96.5 Ų | 96.5 | 68% | 0.684 | 51% | 0.505 | S | S | * | . | trans | 49 | 112.4 | 151.5 | -54.6 | -59.5 | 0 | 0 | 0 | 118.1 | S1304 | D1302-S1304 PolarHBondContact O-N 2.59Š| ||
| 1303 | S | 37.9 | Very low | 43.8 | Very low | 106 Ų | 106 | 101.2 Ų | 101.2 | 74% | 0.741 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.8 | 19.4 | -175.7 | 60.3 | 0 | 0 | 0 | 0 | 116.5 | ||
| 1304 | S | 37 | Very low | 42.3 | Very low | 79 Ų | 79 | 103 Ų | 103 | 55% | 0.552 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -30 | 178 | -173.7 | 0 | 0 | 0 | 0 | 113 | D1302 Q1307 | D1302-S1304 PolarHBondContact O-N 2.59Å; S1304-Q1307 PolarHBondContact O-N 3.13Å |
| 1305 | L | 33.2 | Very low | 40.5 | Very low | 104 Ų | 104 | 109.9 Ų | 109.9 | 55% | 0.545 | 56% | 0.563 | S | S | . | * | S | Bend | trans | -78 | -36.5 | -177.9 | -160.4 | 72.4 | 0 | 0 | 0 | 112.4 | Q1307 K1308 L1309 | L1305-Q1307 PolarHBondContact O-N 2.84Å; L1305-Q1307 VanDerWaalsContact O-N 3.15Å; L1305-K1308 PolarHBondContact O-N 2.63Å; L1305-L1309 HydrophobicContact CD2-CD1 4.06Å; L1305-L1309 HydrophobicContact CG-CD1 4.04Å; L1305-L1309 HydrophobicContact CG-CG 4.44Å; L1305-L1309 PolarHBondContact O-N 3.1Å |
| 1306 | D | 33.5 | Very low | 38.4 | Very low | 128 Ų | 128 | 118.4 Ų | 118.4 | 68% | 0.684 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -52.2 | -36.1 | 170.9 | -72.6 | -40.2 | 0 | 0 | 0 | 111.6 | A1310 | D1306-A1310 WeakPolarHBondContact O-CB 3.27Å; D1306-A1310 PolarHBondContact O-N 3.13Å |
| 1307 | Q | 35.2 | Very low | 36.6 | Very low | 149 Ų | 149 | 121.6 Ų | 121.6 | 70% | 0.696 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -80.7 | -12.8 | -179.6 | -156 | 167.4 | 20.4 | 0 | 0 | 114.1 | S1304 L1305 | S1304-Q1307 PolarHBondContact O-N 3.13Å; L1305-Q1307 PolarHBondContact O-N 2.84Å; L1305-Q1307 VanDerWaalsContact O-N 3.15Å |
| 1308 | K | 31.9 | Very low | 35.1 | Very low | 147 Ų | 147 | 126.3 Ų | 126.3 | 64% | 0.639 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -103.2 | -33.5 | 174.5 | -76.1 | -169.2 | 173 | -178.1 | 0 | 113.9 | L1305 A1310 D1311 Q1312 | L1305-K1308 PolarHBondContact O-N 2.63Å; K1308-A1310 PolarHBondContact O-N 2.86Å; K1308-D1311 PolarHBondContact O-N 2.87Å; K1308-Q1312 PolarHBondContact O-N 3.25Å |
| 1309 | L | 32 | Very low | 34.2 | Very low | 94 Ų | 94 | 124.5 Ų | 124.5 | 49% | 0.492 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -65.6 | -26 | 168.5 | -79 | 166.9 | 0 | 0 | 0 | 111.8 | L1305 D1311 | L1305-L1309 HydrophobicContact CD2-CD1 4.06Å; L1305-L1309 HydrophobicContact CG-CD1 4.04Å; L1305-L1309 HydrophobicContact CG-CG 4.44Å; L1305-L1309 PolarHBondContact O-N 3.1Å; L1309-D1311 PolarHBondContact O-N 3.3Å |
| 1310 | A | 34.3 | Very low | 33.6 | Very low | 60 Ų | 60 | 121.4 Ų | 121.4 | 50% | 0.496 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -61.7 | -17.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | D1306 K1308 R1314 | D1306-A1310 WeakPolarHBondContact O-CB 3.27Å; D1306-A1310 PolarHBondContact O-N 3.13Å; K1308-A1310 PolarHBondContact O-N 2.86Å; A1310-R1314 PolarHBondContact O-NE 2.68Å |
| 1311 | D | 36.8 | Very low | 33.4 | Very low | 88 Ų | 88 | 117.2 Ų | 117.2 | 47% | 0.471 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -110.2 | -29.7 | -175.2 | -83.5 | -8.3 | 0 | 0 | 0 | 114.8 | K1308 L1309 R1314 | K1308-D1311 PolarHBondContact O-N 2.87Å; L1309-D1311 PolarHBondContact O-N 3.3Å; D1311-R1314 WeakPolarHBondContact O-CB 3.45Å; D1311-R1314 WeakPolarHBondContact O-CG 3.16Å; D1311-R1314 IonicContact OD1-CZ 2.59Å; D1311-R1314 IonicContact OD1-NE 3.71Å; D1311-R1314 PolarHBondContact OD1-NE 3.07Å; D1311-R1314 IonicContact OD1-NH2 2.7Å; D1311-R1314 PolarHBondContact OD1-NH2 3.38Å |
| 1312 | Q | 32.6 | Very low | 33.8 | Very low | 175 Ų | 175 | 121 Ų | 121 | 82% | 0.818 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -84.3 | -28.3 | 179.7 | -74.7 | -166.8 | -41.5 | 0 | 0 | 114.8 | K1308 R1314 | K1308-Q1312 PolarHBondContact O-N 3.25Å; Q1312-R1314 PolarHBondContact O-N 3.17Å |
| 1313 | N | 30.1 | Very low | 34.4 | Very low | 145 Ų | 145 | 122.4 Ų | 122.4 | 78% | 0.775 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 35.6 | 169.8 | -91.9 | -11.1 | 0 | 0 | 0 | 113.5 | K1315 | N1313-K1315 VanDerWaalsContact C-N 3.34Š|
| 1314 | R | 29.5 | Very low | 34.9 | Very low | 187 Ų | 187 | 125.2 Ų | 125.2 | 71% | 0.706 | 63% | 0.628 | S | S | * | * | trans | -90.3 | 11.7 | 174.8 | -72.9 | -172 | -177.9 | -154 | 11.8 | 114.2 | A1310 D1311 Q1312 | A1310-R1314 PolarHBondContact O-NE 2.68Å; D1311-R1314 WeakPolarHBondContact O-CB 3.45Å; D1311-R1314 WeakPolarHBondContact O-CG 3.16Å; D1311-R1314 IonicContact OD1-CZ 2.59Å; D1311-R1314 IonicContact OD1-NE 3.71Å; D1311-R1314 PolarHBondContact OD1-NE 3.07Å; D1311-R1314 IonicContact OD1-NH2 2.7Å; D1311-R1314 PolarHBondContact OD1-NH2 3.38Å; Q1312-R1314 PolarHBondContact O-N 3.17Å | ||
| 1315 | K | 28.5 | Very low | 35.8 | Very low | 171 Ų | 171 | 123 Ų | 123 | 74% | 0.743 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -123.4 | 141.9 | 169.5 | -73.7 | -171.6 | 173.5 | -173.6 | 0 | 111.2 | N1313 | N1313-K1315 VanDerWaalsContact C-N 3.34Š|
| 1316 | E | 29 | Very low | 37.1 | Very low | 181 Ų | 181 | 120.7 Ų | 120.7 | 85% | 0.846 | 61% | 0.605 | S | S | * | * | trans | 61.4 | 82.8 | 160.5 | -69.4 | 159 | -126.2 | 0 | 0 | 118.4 | ||||
| 1317 | S | 31.8 | Very low | 38.7 | Very low | 91 Ų | 91 | 122.1 Ų | 122.1 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | -164 | 153.4 | 120.7 | -172.8 | 0 | 0 | 0 | 0 | 111.5 | E1319 G1320 | S1317-E1319 PolarHBondContact O-N 2.85Å; S1317-G1320 PolarHBondContact O-N 2.83Å | |||
| 1318 | I | 34.3 | Very low | 40.5 | Very low | 128 Ų | 128 | 120.9 Ų | 120.9 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -61.9 | -28.4 | -173.2 | -66 | 172.3 | 0 | 0 | 0 | 112.2 | G1320 V1321 K1322 | I1318-G1320 PolarHBondContact O-N 3.06Å; I1318-V1321 PolarHBondContact O-N 2.68Å; I1318-K1322 HydrophobicContact CG2-CG 4.38Å; I1318-K1322 PolarHBondContact O-N 3.3Å |
| 1319 | E | 36.7 | Very low | 42.4 | Very low | 113 Ų | 113 | 115 Ų | 115 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -58.4 | -31.8 | 173.8 | -66.5 | -152.3 | 139.9 | 0 | 0 | 113.2 | S1317 V1321 K1322 R1323 | S1317-E1319 PolarHBondContact O-N 2.85Å; E1319-V1321 VanDerWaalsContact C-N 3.26Å; E1319-V1321 PolarHBondContact O-N 2.62Å; E1319-K1322 PolarHBondContact O-N 3.04Å; E1319-R1323 WeakPolarHBondContact O-CB 3.46Å; E1319-R1323 WeakPolarHBondContact O-CG 3.14Å; E1319-R1323 PolarHBondContact O-N 2.89Å; E1319-R1323 IonicContact OE1-NH2 3.18Å; E1319-R1323 IonicContact OE2-CZ 2.67Å; E1319-R1323 IonicContact OE2-NH1 3.74Å; E1319-R1323 IonicContact OE2-NH2 3.47Å; E1319-R1323 PolarHBondContact OE2-NH2 3.21Å |
| 1320 | G | 34.6 | Very low | 44.4 | Very low | 42 Ų | 42 | 114.5 Ų | 114.5 | 43% | 0.433 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.2 | -33.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1317 I1318 K1324 | S1317-G1320 PolarHBondContact O-N 2.83Å; I1318-G1320 PolarHBondContact O-N 3.06Å; G1320-K1324 WeakPolarHBondContact O-CB 3.24Å; G1320-K1324 WeakPolarHBondContact O-CG 3.24Å; G1320-K1324 PolarHBondContact O-N 2.82Å; G1320-K1324 VanDerWaalsContact O-N 3.12Å |
| 1321 | V | 38.2 | Very low | 46.6 | Very low | 102 Ų | 102 | 117.5 Ų | 117.5 | 62% | 0.618 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -76.9 | -44.4 | 173.8 | -177.8 | 0 | 0 | 0 | 0 | 110.5 | I1318 E1319 R1323 K1324 S1325 | I1318-V1321 PolarHBondContact O-N 2.68Å; E1319-V1321 VanDerWaalsContact C-N 3.26Å; E1319-V1321 PolarHBondContact O-N 2.62Å; V1321-R1323 PolarHBondContact O-N 3.48Å; V1321-K1324 PolarHBondContact O-N 3.47Å; V1321-S1325 WeakPolarHBondContact O-CB 3.42Å; V1321-S1325 PolarHBondContact O-N 2.84Å |
| 1322 | K | 42.9 | Very low | 48.7 | Very low | 122 Ų | 122 | 113.6 Ų | 113.6 | 53% | 0.53 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.6 | -38 | 177.4 | -69.1 | -157.5 | 170 | -150.2 | 0 | 112.7 | I1318 E1319 S1325 S1326 E1527 | I1318-K1322 HydrophobicContact CG2-CG 4.38Å; I1318-K1322 PolarHBondContact O-N 3.3Å; E1319-K1322 PolarHBondContact O-N 3.04Å; K1322-S1325 PolarHBondContact O-N 2.89Å; K1322-S1326 WeakPolarHBondContact O-CB 3.44Å; K1322-S1326 PolarHBondContact O-N 3.03Å; K1322-E1527 IonicContact NZ-OE1 3.19Å; K1322-E1527 PolarHBondContact NZ-OE1 2.93Å |
| 1323 | R | 42.3 | Very low | 51.1 | Low | 158 Ų | 158 | 105.4 Ų | 105.4 | 60% | 0.596 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70 | -34.4 | 172.1 | -70.9 | -177.3 | -172.7 | 147.3 | 17.5 | 112.9 | E1319 V1321 K1327 | E1319-R1323 WeakPolarHBondContact O-CB 3.46Å; E1319-R1323 WeakPolarHBondContact O-CG 3.14Å; E1319-R1323 PolarHBondContact O-N 2.89Å; E1319-R1323 IonicContact OE1-NH2 3.18Å; E1319-R1323 IonicContact OE2-CZ 2.67Å; E1319-R1323 IonicContact OE2-NH1 3.74Å; E1319-R1323 IonicContact OE2-NH2 3.47Å; E1319-R1323 PolarHBondContact OE2-NH2 3.21Å; V1321-R1323 PolarHBondContact O-N 3.48Å; R1323-K1327 WeakPolarHBondContact O-CB 3.23Å; R1323-K1327 WeakPolarHBondContact O-CG 3.33Å; R1323-K1327 PolarHBondContact O-N 3.43Å |
| 1324 | K | 48 | Very low | 53.4 | Low | 166 Ų | 166 | 100.9 Ų | 100.9 | 72% | 0.722 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.8 | -42.2 | 170.4 | -87.2 | -178.2 | 175.2 | 178.7 | 0 | 112 | G1320 V1321 R1328 | G1320-K1324 WeakPolarHBondContact O-CB 3.24Å; G1320-K1324 WeakPolarHBondContact O-CG 3.24Å; G1320-K1324 PolarHBondContact O-N 2.82Å; G1320-K1324 VanDerWaalsContact O-N 3.12Å; V1321-K1324 PolarHBondContact O-N 3.47Å; K1324-R1328 VanDerWaalsContact O-CB 3.24Å; K1324-R1328 WeakPolarHBondContact O-CB 3.47Å; K1324-R1328 PolarHBondContact O-N 2.99Å |
| 1325 | S | 56.1 | Low | 56.1 | Low | 32 Ų | 32 | 94.9 Ų | 94.9 | 22% | 0.224 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -66.7 | -47.5 | 177.3 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | V1321 K1322 K1327 R1328 K1329 C1525 | V1321-S1325 WeakPolarHBondContact O-CB 3.42Å; V1321-S1325 PolarHBondContact O-N 2.84Å; K1322-S1325 PolarHBondContact O-N 2.89Å; S1325-K1327 PolarHBondContact O-N 3.13Å; S1325-R1328 CarbonylContact O-C 3.58Å; S1325-R1328 WeakPolarHBondContact O-CA 3.37Å; S1325-R1328 WeakPolarHBondContact O-CB 3.32Å; S1325-R1328 PolarHBondContact O-N 2.82Å; S1325-K1329 WeakPolarHBondContact O-CG 3.38Å; S1325-K1329 PolarHBondContact O-N 2.9Å; S1325-C1525 PolarHBondContact OG-O 3.27Å |
| 1326 | S | 61.5 | Low | 58.9 | Low | 56 Ų | 56 | 87 Ų | 87 | 39% | 0.392 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -53.2 | -57.2 | 172.6 | -166.7 | 0 | 0 | 0 | 0 | 110.5 | K1322 R1328 K1329 D1330 | K1322-S1326 WeakPolarHBondContact O-CB 3.44Å; K1322-S1326 PolarHBondContact O-N 3.03Å; S1326-R1328 PolarHBondContact O-N 3.47Å; S1326-K1329 CarbonylContact O-C 3.24Å; S1326-K1329 WeakPolarHBondContact O-CA 3.47Å; S1326-K1329 WeakPolarHBondContact O-CB 3.43Å; S1326-K1329 PolarHBondContact O-N 3.05Å; S1326-D1330 VanDerWaalsContact C-OD2 3.24Å; S1326-D1330 PolarHBondContact O-N 2.84Å; S1326-D1330 VanDerWaalsContact O-OD1 3.12Å; S1326-D1330 VanDerWaalsContact O-OD2 3.07Å |
| 1327 | K | 66.9 | Low | 61.4 | Low | 157 Ų | 157 | 78.4 Ų | 78.4 | 68% | 0.683 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.1 | -21.9 | 177 | -71.7 | -174.8 | 177 | -169.2 | 0 | 114.1 | R1323 S1325 D1330 F1331 | R1323-K1327 WeakPolarHBondContact O-CB 3.23Å; R1323-K1327 WeakPolarHBondContact O-CG 3.33Å; R1323-K1327 PolarHBondContact O-N 3.43Å; S1325-K1327 PolarHBondContact O-N 3.13Å; K1327-D1330 WeakPolarHBondContact CA-OD2 3.47Å; K1327-D1330 PolarHBondContact N-OD2 3.36Å; K1327-F1331 WeakPolarHBondContact O-CB 3.47Å; K1327-F1331 PolarHBondContact O-N 3.48Å; K1327-F1331 VanDerWaalsContact O-N 3.07Å |
| 1328 | R | 71.9 | Confident | 63.8 | Low | 123 Ų | 123 | 79.2 Ų | 79.2 | 46% | 0.464 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -81.5 | -39.5 | 173.4 | -173.8 | 66.4 | 178.1 | -156.3 | 1.3 | 111.5 | K1324 S1325 S1326 F1331 I1332 D1521 C1525 | K1324-R1328 VanDerWaalsContact O-CB 3.24Å; K1324-R1328 WeakPolarHBondContact O-CB 3.47Å; K1324-R1328 PolarHBondContact O-N 2.99Å; S1325-R1328 CarbonylContact O-C 3.58Å; S1325-R1328 WeakPolarHBondContact O-CA 3.37Å; S1325-R1328 WeakPolarHBondContact O-CB 3.32Å; S1325-R1328 PolarHBondContact O-N 2.82Å; S1326-R1328 PolarHBondContact O-N 3.47Å; R1328-F1331 PolarHBondContact O-N 2.91Å; R1328-I1332 HydrophobicContact CG-CD1 3.88Å; R1328-I1332 WeakPolarHBondContact O-CB 3.14Å; R1328-I1332 WeakPolarHBondContact O-CD1 3.45Å; R1328-I1332 WeakPolarHBondContact O-CG1 3.44Å; R1328-I1332 PolarHBondContact O-N 3.13Å; R1328-D1521 IonicContact NH2-OD2 3.62Å; R1328-C1525 WeakPolarHBondContact CG-SG 3.42Å |
| 1329 | K | 73.4 | Confident | 66.2 | Low | 25 Ų | 25 | 74.6 Ų | 74.6 | 11% | 0.109 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.8 | -50.8 | 168.6 | -64.4 | -176.9 | -172.6 | -165.9 | 0 | 110.7 | S1325 S1326 F1331 I1332 M1333 P1430 E1431 L1522 C1525 C1526 | S1325-K1329 WeakPolarHBondContact O-CG 3.38Å; S1325-K1329 PolarHBondContact O-N 2.9Å; S1326-K1329 CarbonylContact O-C 3.24Å; S1326-K1329 WeakPolarHBondContact O-CA 3.47Å; S1326-K1329 WeakPolarHBondContact O-CB 3.43Å; S1326-K1329 PolarHBondContact O-N 3.05Å; K1329-F1331 VanDerWaalsContact C-N 3.27Å; K1329-F1331 PolarHBondContact O-N 2.9Å; K1329-I1332 PolarHBondContact O-N 3.5Å; K1329-I1332 VanDerWaalsContact O-N 3.08Å; K1329-M1333 WeakPolarHBondContact O-CB 3.42Å; K1329-M1333 PolarHBondContact O-N 2.83Å; K1329-P1430 HydrophobicContact CB-CB 4.5Å; K1329-P1430 HydrophobicContact CB-CG 4.15Å; K1329-P1430 HydrophobicContact CD-CG 4.35Å; K1329-E1431 IonicContact NZ-OE1 2.77Å; K1329-E1431 PolarHBondContact NZ-OE1 3.43Å; K1329-L1522 HydrophobicContact CB-CD1 4.06Å; K1329-L1522 HydrophobicContact CG-CD1 4.1Å; K1329-C1525 WeakPolarHBondContact CE-O 3.46Å; K1329-C1525 HydrophobicContact CG-CB 3.79Å; K1329-C1526 VanDerWaalsContact CE-SG 3.58Å; K1329-C1526 PolarHBondContact NZ-SG 3.41Å; K1329-C1526 VanDerWaalsContact NZ-SG 3.4Å |
| 1330 | D | 73.1 | Confident | 68.7 | Low | 82 Ų | 82 | 69.2 Ų | 69.2 | 44% | 0.439 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -55.2 | -45 | 176.8 | -49.1 | -25.5 | 0 | 0 | 0 | 110 | S1326 K1327 A1334 | S1326-D1330 VanDerWaalsContact C-OD2 3.24Å; S1326-D1330 PolarHBondContact O-N 2.84Å; S1326-D1330 VanDerWaalsContact O-OD1 3.12Å; S1326-D1330 VanDerWaalsContact O-OD2 3.07Å; K1327-D1330 WeakPolarHBondContact CA-OD2 3.47Å; K1327-D1330 PolarHBondContact N-OD2 3.36Å; D1330-A1334 WeakPolarHBondContact O-CB 3.4Å; D1330-A1334 PolarHBondContact O-N 2.8Å |
| 1331 | F | 79.7 | Confident | 71.1 | Confident | 124 Ų | 124 | 72.1 Ų | 72.1 | 54% | 0.544 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 175.7 | -177.4 | -89.2 | 0 | 0 | 0 | 113.3 | K1327 R1328 K1329 E1335 | K1327-F1331 WeakPolarHBondContact O-CB 3.47Å; K1327-F1331 PolarHBondContact O-N 3.48Å; K1327-F1331 VanDerWaalsContact O-N 3.07Å; R1328-F1331 PolarHBondContact O-N 2.91Å; K1329-F1331 VanDerWaalsContact C-N 3.27Å; K1329-F1331 PolarHBondContact O-N 2.9Å; F1331-E1335 WeakPolarHBondContact O-CB 3.38Å; F1331-E1335 PolarHBondContact O-N 3.26Å |
| 1332 | I | 82.3 | Confident | 73.3 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 3% | 0.031 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70 | -36.8 | 177.8 | -69.6 | 159.5 | 0 | 0 | 0 | 111.1 | R1328 K1329 L1336 L1518 D1521 L1522 | R1328-I1332 HydrophobicContact CG-CD1 3.88Å; R1328-I1332 WeakPolarHBondContact O-CB 3.14Å; R1328-I1332 WeakPolarHBondContact O-CD1 3.45Å; R1328-I1332 WeakPolarHBondContact O-CG1 3.44Å; R1328-I1332 PolarHBondContact O-N 3.13Å; K1329-I1332 PolarHBondContact O-N 3.5Å; K1329-I1332 VanDerWaalsContact O-N 3.08Å; I1332-L1336 VanDerWaalsContact O-CB 3.31Å; I1332-L1336 WeakPolarHBondContact O-CB 3.49Å; I1332-L1336 PolarHBondContact O-N 3.19Å; I1332-L1518 HydrophobicContact CG2-CD2 4.22Å; I1332-D1521 HydrophobicContact CD1-CB 3.97Å; I1332-L1522 HydrophobicContact CB-CD1 4.2Å; I1332-L1522 HydrophobicContact CG2-CB 3.95Å; I1332-L1522 HydrophobicContact CG2-CD1 4.01Å; I1332-L1522 HydrophobicContact CG2-CG 4.48Å |
| 1333 | M | 82.7 | Confident | 75.6 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -72.2 | -41.8 | 176.4 | -167.5 | 62.3 | -163.4 | 0 | 0 | 111.3 | K1329 L1336 L1337 L1423 P1430 V1433 | K1329-M1333 WeakPolarHBondContact O-CB 3.42Å; K1329-M1333 PolarHBondContact O-N 2.83Å; M1333-L1336 HydrophobicContact CE-CD2 4.27Å; M1333-L1336 WeakPolarHBondContact O-CB 3.46Å; M1333-L1336 PolarHBondContact O-N 2.96Å; M1333-L1336 HydrophobicContact SD-CD2 3.87Å; M1333-L1337 HydrophobicContact CE-CD1 4.04Å; M1333-L1337 HydrophobicContact CE-CD2 4.14Å; M1333-L1337 HydrophobicContact CE-CG 4.02Å; M1333-L1337 HydrophobicContact CG-CD1 4.4Å; M1333-L1337 WeakPolarHBondContact O-CG 3.5Å; M1333-L1337 PolarHBondContact O-N 2.97Å; M1333-L1423 HydrophobicContact CE-CG 4.5Å; M1333-L1423 WeakPolarHBondContact CE-O 3.16Å; M1333-P1430 HydrophobicContact CB-CB 4.34Å; M1333-P1430 HydrophobicContact CG-CB 4.45Å; M1333-V1433 HydrophobicContact CE-CG2 3.84Å; M1333-V1433 HydrophobicContact SD-CB 4.42Å; M1333-V1433 HydrophobicContact SD-CG2 4.06Å |
| 1334 | A | 78.8 | Confident | 77.6 | Confident | 51 Ų | 51 | 58.1 Ų | 58.1 | 42% | 0.421 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1330 Q1338 | D1330-A1334 WeakPolarHBondContact O-CB 3.4Å; D1330-A1334 PolarHBondContact O-N 2.8Å; A1334-Q1338 WeakPolarHBondContact O-CB 3.46Å; A1334-Q1338 PolarHBondContact O-N 3.19Å |
| 1335 | E | 86.1 | Confident | 79.3 | Confident | 60 Ų | 60 | 53.7 Ų | 53.7 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.8 | -42.1 | 172 | 170.2 | 73.6 | 176.6 | 0 | 0 | 111.2 | F1331 T1339 K1514 L1518 | F1331-E1335 WeakPolarHBondContact O-CB 3.38Å; F1331-E1335 PolarHBondContact O-N 3.26Å; E1335-T1339 HydrophobicContact CG-CG2 4.45Å; E1335-T1339 VanDerWaalsContact O-CB 3.25Å; E1335-T1339 WeakPolarHBondContact O-CB 3.45Å; E1335-T1339 VanDerWaalsContact O-CG2 3.27Å; E1335-T1339 WeakPolarHBondContact O-CG2 3.39Å; E1335-T1339 PolarHBondContact O-N 3Å; E1335-T1339 PolarHBondContact O-OG1 3.28Å; E1335-K1514 WeakPolarHBondContact OE1-CE 3.45Å; E1335-K1514 IonicContact OE1-NZ 3.19Å; E1335-K1514 PolarHBondContact OE1-NZ 3.27Å; E1335-L1518 HydrophobicContact CG-CD2 3.72Å |
| 1336 | L | 86 | Confident | 80.7 | Confident | 5 Ų | 5 | 53.3 Ų | 53.3 | 3% | 0.026 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -53.6 | 176.5 | 179.1 | 66.3 | 0 | 0 | 0 | 110.9 | I1332 M1333 T1339 E1340 L1423 V1433 R1511 Y1515 L1518 | I1332-L1336 VanDerWaalsContact O-CB 3.31Å; I1332-L1336 WeakPolarHBondContact O-CB 3.49Å; I1332-L1336 PolarHBondContact O-N 3.19Å; M1333-L1336 HydrophobicContact CE-CD2 4.27Å; M1333-L1336 WeakPolarHBondContact O-CB 3.46Å; M1333-L1336 PolarHBondContact O-N 2.96Å; M1333-L1336 HydrophobicContact SD-CD2 3.87Å; L1336-T1339 PolarHBondContact O-OG1 3.38Å; L1336-E1340 WeakPolarHBondContact O-CB 3.37Å; L1336-E1340 PolarHBondContact O-N 2.85Å; L1336-L1423 HydrophobicContact CD1-CD2 4.49Å; L1336-L1423 HydrophobicContact CD2-CD1 4.32Å; L1336-L1423 HydrophobicContact CD2-CD2 4.12Å; L1336-L1423 HydrophobicContact CD2-CG 4.33Å; L1336-L1423 HydrophobicContact CG-CD2 4.01Å; L1336-V1433 HydrophobicContact CD2-CG2 4.15Å; L1336-R1511 PolarHBondContact O-NH2 3.06Å; L1336-Y1515 HydrophobicContact CD1-CD1 3.94Å; L1336-Y1515 HydrophobicContact CD1-CE1 4.14Å; L1336-L1518 HydrophobicContact CB-CD1 3.98Å; L1336-L1518 HydrophobicContact CD1-CB 4.43Å; L1336-L1518 HydrophobicContact CD1-CD1 3.51Å; L1336-L1518 HydrophobicContact CG-CD1 4.36Å |
| 1337 | L | 81.3 | Confident | 82 | Confident | 2 Ų | 2 | 50.7 Ų | 50.7 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.9 | -44.1 | -179.3 | -67.3 | 171.4 | 0 | 0 | 0 | 112.5 | M1333 E1340 R1341 L1423 E1424 E1427 | M1333-L1337 HydrophobicContact CE-CD1 4.04Å; M1333-L1337 HydrophobicContact CE-CD2 4.14Å; M1333-L1337 HydrophobicContact CE-CG 4.02Å; M1333-L1337 HydrophobicContact CG-CD1 4.4Å; M1333-L1337 WeakPolarHBondContact O-CG 3.5Å; M1333-L1337 PolarHBondContact O-N 2.97Å; L1337-E1340 WeakPolarHBondContact O-CB 3.31Å; L1337-E1340 PolarHBondContact O-N 3.39Å; L1337-R1341 WeakPolarHBondContact O-CG 3.31Å; L1337-R1341 PolarHBondContact O-N 2.88Å; L1337-L1423 HydrophobicContact CD2-CB 4.11Å; L1337-L1423 HydrophobicContact CD2-CD2 4.15Å; L1337-L1423 HydrophobicContact CD2-CG 4.05Å; L1337-E1424 HydrophobicContact CD2-CG 3.86Å; L1337-E1427 HydrophobicContact CD1-CB 3.74Å; L1337-E1427 HydrophobicContact CD1-CG 3.69Å |
| 1338 | Q | 82.3 | Confident | 82.8 | Confident | 107 Ų | 107 | 46 Ų | 46 | 50% | 0.5 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -67.3 | -40.5 | 179.5 | -176.5 | 60.5 | 16.7 | 0 | 0 | 111.5 | A1334 E1340 R1341 V1342 | A1334-Q1338 WeakPolarHBondContact O-CB 3.46Å; A1334-Q1338 PolarHBondContact O-N 3.19Å; Q1338-E1340 VanDerWaalsContact C-N 3.31Å; Q1338-R1341 PolarHBondContact O-N 3.2Å; Q1338-V1342 VanDerWaalsContact O-CG2 3.23Å; Q1338-V1342 WeakPolarHBondContact O-CG2 3.23Å; Q1338-V1342 PolarHBondContact O-N 3.33Å |
| 1339 | T | 85.7 | Confident | 83.2 | Confident | 32 Ų | 32 | 40.8 Ų | 40.8 | 20% | 0.196 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -74.1 | -20.7 | 174.4 | 60.5 | 0 | 0 | 0 | 0 | 113 | E1335 L1336 Y1343 R1511 | E1335-T1339 HydrophobicContact CG-CG2 4.45Å; E1335-T1339 VanDerWaalsContact O-CB 3.25Å; E1335-T1339 WeakPolarHBondContact O-CB 3.45Å; E1335-T1339 VanDerWaalsContact O-CG2 3.27Å; E1335-T1339 WeakPolarHBondContact O-CG2 3.39Å; E1335-T1339 PolarHBondContact O-N 3Å; E1335-T1339 PolarHBondContact O-OG1 3.28Å; L1336-T1339 PolarHBondContact O-OG1 3.38Å; T1339-Y1343 WeakPolarHBondContact O-CB 3.37Å; T1339-Y1343 PolarHBondContact O-N 3.34Å; T1339-R1511 PolarHBondContact OG1-NH1 2.85Å |
| 1340 | E | 88.4 | Confident | 83.7 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -69.6 | -51.2 | 167.9 | -161.2 | 62.9 | -118.2 | 0 | 0 | 110.7 | L1336 L1337 Q1338 V1342 Y1343 V1344 H1386 L1420 L1423 R1511 Y1515 | L1336-E1340 WeakPolarHBondContact O-CB 3.37Å; L1336-E1340 PolarHBondContact O-N 2.85Å; L1337-E1340 WeakPolarHBondContact O-CB 3.31Å; L1337-E1340 PolarHBondContact O-N 3.39Å; Q1338-E1340 VanDerWaalsContact C-N 3.31Å; E1340-V1342 VanDerWaalsContact C-N 3.27Å; E1340-V1342 PolarHBondContact O-N 2.9Å; E1340-Y1343 PolarHBondContact O-N 3.01Å; E1340-Y1343 VanDerWaalsContact O-N 3.1Å; E1340-Y1343 VanDerWaalsContact OE1-CD1 3.29Å; E1340-Y1343 WeakPolarHBondContact OE1-CD1 3.36Å; E1340-V1344 WeakPolarHBondContact O-CB 3.27Å; E1340-V1344 WeakPolarHBondContact O-CG2 3.35Å; E1340-V1344 PolarHBondContact O-N 3.41Å; E1340-H1386 IonicContact OE1-CE1 3.75Å; E1340-H1386 IonicContact OE1-ND1 3.23Å; E1340-L1420 HydrophobicContact CB-CD1 4.07Å; E1340-L1420 HydrophobicContact CG-CD1 3.85Å; E1340-L1423 HydrophobicContact CG-CD2 4.42Å; E1340-R1511 IonicContact OE1-NE 2.69Å; E1340-R1511 IonicContact OE2-CZ 2.87Å; E1340-R1511 IonicContact OE2-NE 2.74Å; E1340-R1511 PolarHBondContact OE2-NE 2.76Å; E1340-R1511 IonicContact OE2-NH2 3.63Å; E1340-R1511 PolarHBondContact OE2-NH2 2.99Å; E1340-Y1515 PolarHBondContact OE1-OH 3.48Å; E1340-Y1515 VanDerWaalsContact OE2-CE1 3.32Å; E1340-Y1515 WeakPolarHBondContact OE2-CE1 3.46Å; E1340-Y1515 PolarHBondContact OE2-OH 3.31Å |
| 1341 | R | 84.5 | Confident | 84.2 | Confident | 102 Ų | 102 | 37.2 Ų | 37.2 | 39% | 0.385 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -57 | -39.8 | 177.1 | -70.1 | 171.6 | 180 | 159.9 | 0.5 | 111.9 | L1337 Q1338 S1345 L1420 E1424 | L1337-R1341 WeakPolarHBondContact O-CG 3.31Å; L1337-R1341 PolarHBondContact O-N 2.88Å; Q1338-R1341 PolarHBondContact O-N 3.2Å; R1341-S1345 WeakPolarHBondContact O-CB 3.29Å; R1341-S1345 PolarHBondContact O-N 3.26Å; R1341-S1345 VanDerWaalsContact O-N 3.11Å; R1341-L1420 HydrophobicContact CG-CD1 4.22Å; R1341-L1420 HydrophobicContact CG-CD2 4.21Å; R1341-E1424 IonicContact CZ-OE1 3.75Å; R1341-E1424 VanDerWaalsContact CZ-OE1 3.31Å; R1341-E1424 IonicContact NE-OE1 3.67Å; R1341-E1424 PolarHBondContact NE-OE1 3.18Å; R1341-E1424 VanDerWaalsContact NE-OE1 3.11Å; R1341-E1424 IonicContact NH2-OE1 2.78Å; R1341-E1424 PolarHBondContact NH2-OE1 3.16Å |
| 1342 | V | 85 | Confident | 84.2 | Confident | 71 Ų | 71 | 35.9 Ų | 35.9 | 43% | 0.43 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -66.7 | -48 | 173.5 | 171.8 | 0 | 0 | 0 | 0 | 111.5 | Q1338 E1340 V1344 S1345 D1346 | Q1338-V1342 VanDerWaalsContact O-CG2 3.23Å; Q1338-V1342 WeakPolarHBondContact O-CG2 3.23Å; Q1338-V1342 PolarHBondContact O-N 3.33Å; E1340-V1342 VanDerWaalsContact C-N 3.27Å; E1340-V1342 PolarHBondContact O-N 2.9Å; V1342-V1344 PolarHBondContact O-N 3.45Å; V1342-S1345 WeakPolarHBondContact O-CB 3.37Å; V1342-S1345 PolarHBondContact O-N 3.24Å; V1342-S1345 VanDerWaalsContact O-N 3.14Å; V1342-D1346 PolarHBondContact O-N 3.4Å |
| 1343 | Y | 90.9 | Very high | 84 | Confident | 9 Ų | 9 | 39 Ų | 39 | 4% | 0.035 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.7 | -42.9 | 178.6 | 169.3 | -116.6 | 0 | 0 | 0 | 112.4 | T1339 E1340 S1345 D1346 L1347 I1382 H1386 Y1447 K1507 P1508 R1511 | T1339-Y1343 WeakPolarHBondContact O-CB 3.37Å; T1339-Y1343 PolarHBondContact O-N 3.34Å; E1340-Y1343 PolarHBondContact O-N 3.01Å; E1340-Y1343 VanDerWaalsContact O-N 3.1Å; E1340-Y1343 VanDerWaalsContact OE1-CD1 3.29Å; E1340-Y1343 WeakPolarHBondContact OE1-CD1 3.36Å; Y1343-S1345 VanDerWaalsContact C-N 3.33Å; Y1343-S1345 PolarHBondContact O-N 3.24Å; Y1343-D1346 WeakPolarHBondContact O-CB 3.26Å; Y1343-D1346 PolarHBondContact O-N 3.14Å; Y1343-L1347 HydrophobicContact CD1-CD1 4.39Å; Y1343-L1347 HydrophobicContact CD2-CG 4.3Å; Y1343-L1347 HydrophobicContact CE1-CD1 3.85Å; Y1343-L1347 HydrophobicContact CE1-CG 4.47Å; Y1343-L1347 HydrophobicContact CE2-CD1 4.12Å; Y1343-L1347 HydrophobicContact CE2-CD2 3.8Å; Y1343-L1347 HydrophobicContact CE2-CG 3.93Å; Y1343-L1347 WeakPolarHBondContact O-CG 3.16Å; Y1343-L1347 PolarHBondContact O-N 3.35Å; Y1343-I1382 WeakPolarHBondContact OH-CG2 3.48Å; Y1343-H1386 AromaticContact CE1-CD2 3.81Å; Y1343-H1386 AromaticContact CE1-NE2 3.95Å; Y1343-Y1447 WeakPolarHBondContact CE1-OH 3.37Å; Y1343-Y1447 WeakPolarHBondContact OH-CE1 3.19Å; Y1343-Y1447 PolarHBondContact OH-OH 2.83Å; Y1343-K1507 HydrophobicContact CD2-CB 4.01Å; Y1343-K1507 HydrophobicContact CE2-CB 3.91Å; Y1343-P1508 HydrophobicContact CE2-CG 4.45Å; Y1343-P1508 WeakPolarHBondContact OH-CA 3.45Å; Y1343-R1511 HydrophobicContact CD1-CB 4.28Å; Y1343-R1511 HydrophobicContact CD1-CG 3.75Å; Y1343-R1511 HydrophobicContact CD2-CB 4.29Å; Y1343-R1511 HydrophobicContact CE1-CB 3.96Å; Y1343-R1511 HydrophobicContact CE1-CG 3.68Å; Y1343-R1511 HydrophobicContact CE2-CB 3.99Å; Y1343-R1511 HydrophobicContact CG-CB 4.42Å; Y1343-R1511 HydrophobicContact CG-CG 4.17Å |
| 1344 | V | 85.3 | Confident | 84 | Confident | 9 Ų | 9 | 39 Ų | 39 | 6% | 0.055 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.6 | -44.1 | 172.8 | 164.3 | 0 | 0 | 0 | 0 | 111.6 | E1340 V1342 D1346 L1347 E1348 H1386 K1387 | E1340-V1344 WeakPolarHBondContact O-CB 3.27Å; E1340-V1344 WeakPolarHBondContact O-CG2 3.35Å; E1340-V1344 PolarHBondContact O-N 3.41Å; V1342-V1344 PolarHBondContact O-N 3.45Å; V1344-D1346 VanDerWaalsContact C-N 3.35Å; V1344-L1347 PolarHBondContact O-N 2.83Å; V1344-E1348 PolarHBondContact O-N 2.93Å; V1344-H1386 HydrophobicContact CG2-CB 3.69Å; V1344-K1387 HydrophobicContact CG1-CB 3.72Å; V1344-K1387 HydrophobicContact CG1-CD 3.49Å; V1344-K1387 VanDerWaalsContact CG1-CD 3.49Å; V1344-K1387 HydrophobicContact CG1-CG 4.04Å |
| 1345 | S | 82.7 | Confident | 84.3 | Confident | 73 Ų | 73 | 37.4 Ų | 37.4 | 51% | 0.51 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -66.4 | -34.9 | 176.6 | -171 | 0 | 0 | 0 | 0 | 112.6 | R1341 V1342 Y1343 A1349 | R1341-S1345 WeakPolarHBondContact O-CB 3.29Å; R1341-S1345 PolarHBondContact O-N 3.26Å; R1341-S1345 VanDerWaalsContact O-N 3.11Å; V1342-S1345 WeakPolarHBondContact O-CB 3.37Å; V1342-S1345 PolarHBondContact O-N 3.24Å; V1342-S1345 VanDerWaalsContact O-N 3.14Å; Y1343-S1345 VanDerWaalsContact C-N 3.33Å; Y1343-S1345 PolarHBondContact O-N 3.24Å; S1345-A1349 WeakPolarHBondContact O-CB 3.44Å; S1345-A1349 PolarHBondContact O-N 3.3Å |
| 1346 | D | 85.8 | Confident | 83.7 | Confident | 23 Ų | 23 | 39.2 Ų | 39.2 | 12% | 0.123 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66.2 | -41.1 | 173.2 | -77.6 | -59.7 | 0 | 0 | 0 | 112.3 | V1342 Y1343 V1344 A1349 C1350 Y1504 K1507 | V1342-D1346 PolarHBondContact O-N 3.4Å; Y1343-D1346 WeakPolarHBondContact O-CB 3.26Å; Y1343-D1346 PolarHBondContact O-N 3.14Å; V1344-D1346 VanDerWaalsContact C-N 3.35Å; D1346-A1349 PolarHBondContact O-N 2.85Å; D1346-C1350 PolarHBondContact O-N 2.78Å; D1346-Y1504 HydrophobicContact CB-CD1 4.05Å; D1346-Y1504 HydrophobicContact CB-CE1 4.02Å; D1346-Y1504 VanDerWaalsContact O-CD1 3.31Å; D1346-Y1504 WeakPolarHBondContact O-CD1 3.32Å; D1346-Y1504 WeakPolarHBondContact OD1-CE1 3.17Å; D1346-K1507 HydrophobicContact CB-CD 3.43Å; D1346-K1507 VanDerWaalsContact CB-CD 3.43Å; D1346-K1507 WeakPolarHBondContact OD1-CE 3.47Å; D1346-K1507 IonicContact OD1-NZ 2.94Å; D1346-K1507 PolarHBondContact OD1-NZ 3.39Å; D1346-K1507 WeakPolarHBondContact OD2-CE 3.44Å; D1346-K1507 IonicContact OD2-NZ 2.67Å; D1346-K1507 PolarHBondContact OD2-NZ 3.35Å |
| 1347 | L | 88.8 | Confident | 83 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.5 | -45.2 | 174.9 | -66.3 | -178.1 | 0 | 0 | 0 | 110.8 | Y1343 V1344 A1349 C1350 I1351 I1379 I1382 Y1383 P1508 | Y1343-L1347 HydrophobicContact CD1-CD1 4.39Å; Y1343-L1347 HydrophobicContact CD2-CG 4.3Å; Y1343-L1347 HydrophobicContact CE1-CD1 3.85Å; Y1343-L1347 HydrophobicContact CE1-CG 4.47Å; Y1343-L1347 HydrophobicContact CE2-CD1 4.12Å; Y1343-L1347 HydrophobicContact CE2-CD2 3.8Å; Y1343-L1347 HydrophobicContact CE2-CG 3.93Å; Y1343-L1347 WeakPolarHBondContact O-CG 3.16Å; Y1343-L1347 PolarHBondContact O-N 3.35Å; V1344-L1347 PolarHBondContact O-N 2.83Å; L1347-A1349 VanDerWaalsContact C-N 3.33Å; L1347-A1349 PolarHBondContact O-N 3.34Å; L1347-C1350 PolarHBondContact O-N 3.27Å; L1347-I1351 WeakPolarHBondContact O-CG1 3.37Å; L1347-I1351 PolarHBondContact O-N 3.32Å; L1347-I1379 HydrophobicContact CD2-CD1 3.85Å; L1347-I1379 HydrophobicContact CD2-CG1 3.68Å; L1347-I1382 HydrophobicContact CD1-CG2 3.99Å; L1347-Y1383 HydrophobicContact CB-CD2 4.09Å; L1347-P1508 HydrophobicContact CD2-CG 4.19Å |
| 1348 | E | 84.1 | Confident | 82.8 | Confident | 58 Ų | 58 | 39.7 Ų | 39.7 | 27% | 0.271 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -56.9 | -46.8 | 174.3 | -172.6 | 177.2 | 168.6 | 0 | 0 | 111.2 | V1344 C1350 I1351 K1352 Y1383 K1387 | V1344-E1348 PolarHBondContact O-N 2.93Å; E1348-C1350 VanDerWaalsContact C-N 3.34Å; E1348-C1350 PolarHBondContact O-N 3.41Å; E1348-I1351 PolarHBondContact O-N 3.3Å; E1348-K1352 WeakPolarHBondContact O-CB 3.44Å; E1348-K1352 PolarHBondContact O-N 3.42Å; E1348-K1352 IonicContact OE1-NZ 3.65Å; E1348-Y1383 HydrophobicContact CB-CD2 4.34Å; E1348-Y1383 HydrophobicContact CB-CE2 3.82Å; E1348-Y1383 HydrophobicContact CG-CE2 4.25Å; E1348-K1387 VanDerWaalsContact CD-NZ 3.26Å; E1348-K1387 IonicContact OE1-NZ 2.64Å; E1348-K1387 IonicContact OE2-NZ 2.76Å; E1348-K1387 PolarHBondContact OE2-NZ 3.49Å |
| 1349 | A | 80.9 | Confident | 82.5 | Confident | 14 Ų | 14 | 39.4 Ų | 39.4 | 12% | 0.116 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | S1345 D1346 L1347 I1351 Y1353 L1497 Y1504 | S1345-A1349 WeakPolarHBondContact O-CB 3.44Å; S1345-A1349 PolarHBondContact O-N 3.3Å; D1346-A1349 PolarHBondContact O-N 2.85Å; L1347-A1349 VanDerWaalsContact C-N 3.33Å; L1347-A1349 PolarHBondContact O-N 3.34Å; A1349-I1351 PolarHBondContact O-N 2.94Å; A1349-Y1353 HydrophobicContact CB-CD2 4.17Å; A1349-Y1353 WeakPolarHBondContact O-CB 3.45Å; A1349-Y1353 WeakPolarHBondContact O-CD2 3.42Å; A1349-Y1353 PolarHBondContact O-N 2.9Å; A1349-L1497 HydrophobicContact CB-CD2 4.41Å; A1349-Y1504 HydrophobicContact CB-CE1 4.06Å |
| 1350 | C | 83.9 | Confident | 81.9 | Confident | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 176.6 | -167.9 | 0 | 0 | 0 | 0 | 112.3 | D1346 L1347 E1348 Y1354 L1355 I1379 Y1504 | D1346-C1350 PolarHBondContact O-N 2.78Å; L1347-C1350 PolarHBondContact O-N 3.27Å; E1348-C1350 VanDerWaalsContact C-N 3.34Å; E1348-C1350 PolarHBondContact O-N 3.41Å; C1350-Y1354 WeakPolarHBondContact O-CB 3.42Å; C1350-Y1354 PolarHBondContact O-N 2.86Å; C1350-Y1354 VanDerWaalsContact O-N 3.11Å; C1350-L1355 PolarHBondContact O-N 3.33Å; C1350-L1355 VanDerWaalsContact O-N 3.16Å; C1350-I1379 HydrophobicContact CB-CD1 4.14Å; C1350-Y1504 HydrophobicContact CB-CD1 4.29Å; C1350-Y1504 HydrophobicContact CB-CG 4.12Å |
| 1351 | I | 83.8 | Confident | 81 | Confident | 30 Ų | 30 | 43.2 Ų | 43.2 | 15% | 0.154 | 22% | 0.222 | C | C | . | . | I | π-helix | trans | -67 | -51.5 | 179.4 | -69.4 | 164.9 | 0 | 0 | 0 | 110.6 | L1347 E1348 A1349 L1355 Q1356 I1379 K1380 Y1383 | L1347-I1351 WeakPolarHBondContact O-CG1 3.37Å; L1347-I1351 PolarHBondContact O-N 3.32Å; E1348-I1351 PolarHBondContact O-N 3.3Å; A1349-I1351 PolarHBondContact O-N 2.94Å; I1351-L1355 HydrophobicContact CG2-CD2 4.43Å; I1351-L1355 WeakPolarHBondContact O-CB 3.26Å; I1351-L1355 PolarHBondContact O-N 3.15Å; I1351-Q1356 WeakPolarHBondContact O-CB 3.39Å; I1351-Q1356 PolarHBondContact O-N 3.28Å; I1351-I1379 HydrophobicContact CG1-CG2 4.32Å; I1351-K1380 HydrophobicContact CD1-CB 4.41Å; I1351-Y1383 VanDerWaalsContact CD1-CB 3.48Å; I1351-Y1383 HydrophobicContact CD1-CD1 4Å; I1351-Y1383 HydrophobicContact CD1-CD2 4.15Å; I1351-Y1383 HydrophobicContact CD1-CG 3.6Å |
| 1352 | K | 78.7 | Confident | 80.1 | Confident | 96 Ų | 96 | 47.1 Ų | 47.1 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | I | π-helix | trans | -69.9 | -32.9 | -173.4 | -171.1 | 176.2 | -169.4 | 168.6 | 0 | 114.1 | E1348 Q1356 | E1348-K1352 WeakPolarHBondContact O-CB 3.44Å; E1348-K1352 PolarHBondContact O-N 3.42Å; E1348-K1352 IonicContact OE1-NZ 3.65Å; K1352-Q1356 PolarHBondContact O-OE1 3.1Å |
| 1353 | Y | 79.2 | Confident | 79.4 | Confident | 71 Ų | 71 | 50.8 Ų | 50.8 | 28% | 0.278 | 26% | 0.262 | S | S | . | . | I | π-helix | trans | -111.4 | -22.4 | -172.3 | -62 | -69.3 | 0 | 0 | 0 | 114.9 | A1349 S1357 I1477 L1497 | A1349-Y1353 HydrophobicContact CB-CD2 4.17Å; A1349-Y1353 WeakPolarHBondContact O-CB 3.45Å; A1349-Y1353 WeakPolarHBondContact O-CD2 3.42Å; A1349-Y1353 PolarHBondContact O-N 2.9Å; Y1353-S1357 WeakPolarHBondContact O-CB 3.4Å; Y1353-S1357 PolarHBondContact O-OG 2.87Å; Y1353-I1477 HydrophobicContact CD1-CG2 4.47Å; Y1353-I1477 WeakPolarHBondContact O-CD1 3.36Å; Y1353-L1497 HydrophobicContact CD1-CD1 3.94Å; Y1353-L1497 HydrophobicContact CD2-CD1 4Å; Y1353-L1497 HydrophobicContact CD2-CD2 3.66Å; Y1353-L1497 HydrophobicContact CD2-CG 3.92Å; Y1353-L1497 HydrophobicContact CE2-CD2 4.49Å; Y1353-L1497 HydrophobicContact CE2-CG 4.41Å; Y1353-L1497 HydrophobicContact CG-CD1 3.63Å; Y1353-L1497 HydrophobicContact CG-CD2 3.94Å; Y1353-L1497 HydrophobicContact CG-CG 4.08Å |
| 1354 | Y | 82.3 | Confident | 78.6 | Confident | 3 Ų | 3 | 50.9 Ų | 50.9 | 1% | 0.012 | 26% | 0.263 | C | S | . | . | I | π-helix | trans | -109.8 | -52 | 176.2 | -70.2 | -72.2 | 0 | 0 | 0 | 113 | C1350 S1357 M1358 F1470 L1474 L1497 L1499 L1501 Y1504 | C1350-Y1354 WeakPolarHBondContact O-CB 3.42Å; C1350-Y1354 PolarHBondContact O-N 2.86Å; C1350-Y1354 VanDerWaalsContact O-N 3.11Å; Y1354-S1357 PolarHBondContact O-N 2.87Å; Y1354-M1358 PolarHBondContact O-N 3.22Å; Y1354-F1470 HydrophobicContact CD1-CB 4.5Å; Y1354-F1470 HydrophobicContact CD1-CD1 4.03Å; Y1354-F1470 HydrophobicContact CE1-CB 4.35Å; Y1354-L1474 HydrophobicContact CE1-CD1 4.44Å; Y1354-L1497 HydrophobicContact CE2-CD2 4.42Å; Y1354-L1499 PolarHBondContact OH-O 2.95Å; Y1354-L1501 HydrophobicContact CD1-CB 4.14Å; Y1354-L1501 HydrophobicContact CD1-CD1 4.4Å; Y1354-L1501 HydrophobicContact CD2-CB 4.34Å; Y1354-L1501 HydrophobicContact CD2-CD1 3.97Å; Y1354-L1501 HydrophobicContact CE1-CB 3.98Å; Y1354-L1501 HydrophobicContact CE2-CB 4.18Å; Y1354-L1501 HydrophobicContact CG-CB 4.32Å; Y1354-L1501 HydrophobicContact CG-CD1 3.87Å; Y1354-L1501 PolarHBondContact OH-N 3.13Å; Y1354-Y1504 HydrophobicContact CD2-CD2 4.29Å; Y1354-Y1504 AromaticContact CE2-CD2 3.8Å; Y1354-Y1504 HydrophobicContact CE2-CD2 3.8Å; Y1354-Y1504 AromaticContact CE2-CE2 3.91Å; Y1354-Y1504 HydrophobicContact CE2-CE2 3.91Å |
| 1355 | L | 83.7 | Confident | 78.1 | Confident | 17 Ų | 17 | 52 Ų | 52 | 9% | 0.089 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -64.9 | -56.9 | -179.8 | 175.3 | 64.4 | 0 | 0 | 0 | 111 | C1350 I1351 S1357 M1358 E1359 Q1372 F1376 | C1350-L1355 PolarHBondContact O-N 3.33Å; C1350-L1355 VanDerWaalsContact O-N 3.16Å; I1351-L1355 HydrophobicContact CG2-CD2 4.43Å; I1351-L1355 WeakPolarHBondContact O-CB 3.26Å; I1351-L1355 PolarHBondContact O-N 3.15Å; L1355-S1357 PolarHBondContact O-N 3.49Å; L1355-S1357 VanDerWaalsContact O-N 3.14Å; L1355-M1358 WeakPolarHBondContact O-CA 3.22Å; L1355-M1358 WeakPolarHBondContact O-CB 3.18Å; L1355-M1358 PolarHBondContact O-N 3.47Å; L1355-E1359 WeakPolarHBondContact O-CG 3.44Å; L1355-E1359 PolarHBondContact O-N 2.97Å; L1355-Q1372 HydrophobicContact CD1-CB 4.34Å; L1355-F1376 HydrophobicContact CB-CD1 4.07Å; L1355-F1376 HydrophobicContact CB-CD2 4.2Å; L1355-F1376 HydrophobicContact CB-CE1 4.09Å; L1355-F1376 HydrophobicContact CB-CE2 4.22Å; L1355-F1376 HydrophobicContact CB-CG 4.13Å; L1355-F1376 HydrophobicContact CB-CZ 4.18Å; L1355-F1376 HydrophobicContact CD1-CB 4.25Å; L1355-F1376 HydrophobicContact CD1-CD2 3.44Å; L1355-F1376 VanDerWaalsContact CD1-CD2 3.44Å; L1355-F1376 HydrophobicContact CD1-CE2 3.93Å; L1355-F1376 HydrophobicContact CD1-CG 3.85Å; L1355-F1376 HydrophobicContact CG-CD2 4.4Å; L1355-F1376 HydrophobicContact CG-CG 4.49Å |
| 1356 | Q | 74.7 | Confident | 77.7 | Confident | 99 Ų | 99 | 52.8 Ų | 52.8 | 46% | 0.463 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -59.4 | -28.9 | 177.6 | -166.2 | 178.1 | 20.7 | 0 | 0 | 112.6 | I1351 K1352 E1359 T1360 | I1351-Q1356 WeakPolarHBondContact O-CB 3.39Å; I1351-Q1356 PolarHBondContact O-N 3.28Å; K1352-Q1356 PolarHBondContact O-OE1 3.1Å; Q1356-E1359 WeakPolarHBondContact CA-OE2 3.5Å; Q1356-T1360 HydrophobicContact CG-CG2 4.49Å; Q1356-T1360 WeakPolarHBondContact O-CB 3.5Å; Q1356-T1360 VanDerWaalsContact O-CG2 3.31Å; Q1356-T1360 WeakPolarHBondContact O-CG2 3.38Å; Q1356-T1360 PolarHBondContact O-N 3.39Å; Q1356-T1360 PolarHBondContact O-OG1 3.12Å |
| 1357 | S | 71.8 | Confident | 77.1 | Confident | 12 Ų | 12 | 53.4 Ų | 53.4 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -73.6 | -24.6 | 173.9 | -70.3 | 0 | 0 | 0 | 0 | 114.1 | Y1353 Y1354 L1355 A1361 R1473 I1477 | Y1353-S1357 WeakPolarHBondContact O-CB 3.4Å; Y1353-S1357 PolarHBondContact O-OG 2.87Å; Y1354-S1357 PolarHBondContact O-N 2.87Å; L1355-S1357 PolarHBondContact O-N 3.49Å; L1355-S1357 VanDerWaalsContact O-N 3.14Å; S1357-A1361 VanDerWaalsContact O-CB 3.22Å; S1357-A1361 WeakPolarHBondContact O-CB 3.16Å; S1357-A1361 PolarHBondContact O-N 2.95Å; S1357-R1473 VanDerWaalsContact O-CZ 3.27Å; S1357-R1473 PolarHBondContact O-NE 3.4Å; S1357-R1473 PolarHBondContact O-NH2 2.94Å; S1357-I1477 WeakPolarHBondContact OG-CD1 3.49Å |
| 1358 | M | 76.5 | Confident | 76.7 | Confident | 4 Ų | 4 | 53.3 Ų | 53.3 | 2% | 0.02 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -84.9 | -34.7 | 173.3 | -171.9 | 175.3 | 172.9 | 0 | 0 | 111.4 | Y1354 L1355 V1364 I1368 Q1372 I1375 F1376 F1469 F1470 | Y1354-M1358 PolarHBondContact O-N 3.22Å; L1355-M1358 WeakPolarHBondContact O-CA 3.22Å; L1355-M1358 WeakPolarHBondContact O-CB 3.18Å; L1355-M1358 PolarHBondContact O-N 3.47Å; M1358-V1364 HydrophobicContact CE-CG1 4.05Å; M1358-V1364 HydrophobicContact CG-CG2 4.42Å; M1358-I1368 HydrophobicContact CE-CB 4.2Å; M1358-I1368 HydrophobicContact CE-CD1 4.31Å; M1358-I1368 HydrophobicContact CE-CG1 4.36Å; M1358-I1368 WeakPolarHBondContact CE-O 3.25Å; M1358-Q1372 HydrophobicContact CE-CG 3.93Å; M1358-Q1372 HydrophobicContact CG-CG 4.09Å; M1358-Q1372 HydrophobicContact SD-CG 3.9Å; M1358-I1375 HydrophobicContact CE-CD1 4.07Å; M1358-I1375 HydrophobicContact SD-CD1 4.26Å; M1358-F1376 HydrophobicContact CB-CE2 4.35Å; M1358-F1376 HydrophobicContact SD-CE2 3.85Å; M1358-F1469 HydrophobicContact CG-CE1 4.38Å; M1358-F1470 HydrophobicContact SD-CE1 4.25Å; M1358-F1470 HydrophobicContact SD-CZ 3.92Å |
| 1359 | E | 76.2 | Confident | 76.4 | Confident | 101 Ų | 101 | 58 Ų | 58 | 47% | 0.472 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62 | -40.6 | 170.5 | -66.7 | 169.2 | 172.1 | 0 | 0 | 111.9 | L1355 Q1356 | L1355-E1359 WeakPolarHBondContact O-CG 3.44Å; L1355-E1359 PolarHBondContact O-N 2.97Å; Q1356-E1359 WeakPolarHBondContact CA-OE2 3.5Å |
| 1360 | T | 72.8 | Confident | 76.4 | Confident | 90 Ų | 90 | 60.2 Ų | 60.2 | 55% | 0.552 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | 5.5 | -175.8 | 59.5 | 0 | 0 | 0 | 0 | 115.2 | Q1356 R1473 | Q1356-T1360 HydrophobicContact CG-CG2 4.49Å; Q1356-T1360 WeakPolarHBondContact O-CB 3.5Å; Q1356-T1360 VanDerWaalsContact O-CG2 3.31Å; Q1356-T1360 WeakPolarHBondContact O-CG2 3.38Å; Q1356-T1360 PolarHBondContact O-N 3.39Å; Q1356-T1360 PolarHBondContact O-OG1 3.12Å; T1360-R1473 PolarHBondContact OG1-NH2 3.46Å |
| 1361 | A | 69.4 | Low | 76.1 | Confident | 22 Ų | 22 | 64 Ų | 64 | 18% | 0.182 | 34% | 0.343 | C | S | . | . | trans | -92.7 | 126.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1357 V1364 F1469 | S1357-A1361 VanDerWaalsContact O-CB 3.22Å; S1357-A1361 WeakPolarHBondContact O-CB 3.16Å; S1357-A1361 PolarHBondContact O-N 2.95Å; A1361-V1364 HydrophobicContact CB-CG2 3.74Å; A1361-V1364 WeakPolarHBondContact O-CG2 3.35Å; A1361-F1469 HydrophobicContact CB-CE2 4.22Å; A1361-F1469 HydrophobicContact CB-CZ 3.88Å | ||
| 1362 | Q | 65.9 | Low | 76 | Confident | 185 Ų | 185 | 65.2 Ų | 65.2 | 86% | 0.864 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -73.2 | -38.7 | 171.8 | -69.4 | 173.8 | -23.6 | 0 | 0 | 112.1 | V1364 | Q1362-V1364 PolarHBondContact O-N 2.89Š|
| 1363 | N | 70.6 | Confident | 76.1 | Confident | 148 Ų | 148 | 66.7 Ų | 66.7 | 79% | 0.791 | 36% | 0.361 | S | S | * | . | trans | -95.3 | 51.4 | -174.9 | -69.8 | -3.4 | 0 | 0 | 0 | 113.2 | ||||
| 1364 | V | 73.3 | Confident | 76.3 | Confident | 10 Ų | 10 | 66.3 Ų | 66.3 | 6% | 0.061 | 37% | 0.365 | C | S | . | . | trans | -75.7 | 127.8 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | M1358 A1361 Q1362 I1368 R1369 F1469 | M1358-V1364 HydrophobicContact CE-CG1 4.05Å; M1358-V1364 HydrophobicContact CG-CG2 4.42Å; A1361-V1364 HydrophobicContact CB-CG2 3.74Å; A1361-V1364 WeakPolarHBondContact O-CG2 3.35Å; Q1362-V1364 PolarHBondContact O-N 2.89Å; V1364-I1368 HydrophobicContact CG1-CD1 4.28Å; V1364-I1368 HydrophobicContact CG1-CG1 3.93Å; V1364-R1369 HydrophobicContact CG1-CB 4.14Å; V1364-R1369 PolarHBondContact O-NE 2.78Å; V1364-R1369 PolarHBondContact O-NH2 2.85Å; V1364-F1469 HydrophobicContact CG2-CE2 4.29Å; V1364-F1469 HydrophobicContact CG2-CZ 3.91Å | ||
| 1365 | P | 74.5 | Confident | 76.4 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 21% | 0.214 | 37% | 0.365 | C | S | . | . | trans | -56.8 | 143.9 | 177.7 | -23.2 | 29.9 | 0 | 0 | 0 | 113.3 | S1367 I1368 R1369 F1469 | P1365-S1367 PolarHBondContact O-N 3.37Å; P1365-S1367 VanDerWaalsContact O-N 3.13Å; P1365-I1368 HydrophobicContact CB-CG1 4.2Å; P1365-I1368 HydrophobicContact CG-CD1 4.41Å; P1365-I1368 HydrophobicContact CG-CG1 4.32Å; P1365-I1368 PolarHBondContact O-N 3Å; P1365-I1368 VanDerWaalsContact O-N 3.11Å; P1365-R1369 PolarHBondContact O-N 3.41Å; P1365-F1469 VanDerWaalsContact CD-CD2 3.44Å; P1365-F1469 HydrophobicContact CG-CB 3.71Å; P1365-F1469 HydrophobicContact CG-CD2 4.11Å; P1365-F1469 HydrophobicContact CG-CG 4.03Å | ||
| 1366 | A | 76 | Confident | 76.6 | Confident | 89 Ų | 89 | 65.5 Ų | 65.5 | 74% | 0.736 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | I1368 | A1366-I1368 VanDerWaalsContact C-N 3.32Å; A1366-I1368 PolarHBondContact O-N 3.12Å |
| 1367 | S | 73.2 | Confident | 77.4 | Confident | 37 Ų | 37 | 61.7 Ų | 61.7 | 26% | 0.259 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -28.3 | 177.7 | 53.3 | 0 | 0 | 0 | 0 | 114.2 | P1365 K1371 | P1365-S1367 PolarHBondContact O-N 3.37Å; P1365-S1367 VanDerWaalsContact O-N 3.13Å; S1367-K1371 WeakPolarHBondContact O-CE 3.46Å; S1367-K1371 PolarHBondContact O-NZ 3.24Å |
| 1368 | I | 79.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 62.8 Ų | 62.8 | 0% | 0 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -119.6 | -8.4 | -176.2 | 57.4 | 164.9 | 0 | 0 | 0 | 114.7 | M1358 V1364 P1365 A1366 G1370 K1371 I1375 A1466 F1469 F1470 | M1358-I1368 HydrophobicContact CE-CB 4.2Å; M1358-I1368 HydrophobicContact CE-CD1 4.31Å; M1358-I1368 HydrophobicContact CE-CG1 4.36Å; M1358-I1368 WeakPolarHBondContact CE-O 3.25Å; V1364-I1368 HydrophobicContact CG1-CD1 4.28Å; V1364-I1368 HydrophobicContact CG1-CG1 3.93Å; P1365-I1368 HydrophobicContact CB-CG1 4.2Å; P1365-I1368 HydrophobicContact CG-CD1 4.41Å; P1365-I1368 HydrophobicContact CG-CG1 4.32Å; P1365-I1368 PolarHBondContact O-N 3Å; P1365-I1368 VanDerWaalsContact O-N 3.11Å; A1366-I1368 VanDerWaalsContact C-N 3.32Å; A1366-I1368 PolarHBondContact O-N 3.12Å; I1368-G1370 PolarHBondContact O-N 2.89Å; I1368-K1371 WeakPolarHBondContact O-CB 3.39Å; I1368-K1371 PolarHBondContact O-N 3.15Å; I1368-I1375 HydrophobicContact CB-CD1 3.83Å; I1368-I1375 HydrophobicContact CG2-CD1 3.81Å; I1368-A1466 HydrophobicContact CD1-CB 4.27Å; I1368-A1466 HydrophobicContact CG2-CB 3.7Å; I1368-F1469 HydrophobicContact CD1-CB 4.4Å; I1368-F1469 HydrophobicContact CD1-CD1 3.72Å; I1368-F1469 HydrophobicContact CD1-CE1 4.32Å; I1368-F1469 HydrophobicContact CD1-CG 4.23Å; I1368-F1470 HydrophobicContact CD1-CE2 4.17Å; I1368-F1470 HydrophobicContact CD1-CZ 4.26Å |
| 1369 | R | 79.1 | Confident | 78.7 | Confident | 157 Ų | 157 | 62.7 Ų | 62.7 | 59% | 0.592 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 131.2 | 177.1 | -169.6 | 177.8 | -61.6 | -179.2 | 0.3 | 111.1 | V1364 P1365 K1371 | V1364-R1369 HydrophobicContact CG1-CB 4.14Å; V1364-R1369 PolarHBondContact O-NE 2.78Å; V1364-R1369 PolarHBondContact O-NH2 2.85Å; P1365-R1369 PolarHBondContact O-N 3.41Å; R1369-K1371 PolarHBondContact O-N 3.39Å |
| 1370 | G | 78.9 | Confident | 79.2 | Confident | 60 Ų | 60 | 62.4 Ų | 62.4 | 62% | 0.619 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.3 | -8.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | I1368 Q1372 | I1368-G1370 PolarHBondContact O-N 2.89Å; G1370-Q1372 VanDerWaalsContact C-N 3.26Å; G1370-Q1372 PolarHBondContact O-N 3.07Å |
| 1371 | K | 79.4 | Confident | 79.7 | Confident | 81 Ų | 81 | 63 Ų | 63 | 35% | 0.352 | 34% | 0.342 | S | S | . | . | trans | -90.9 | 33.2 | -177.1 | -56.4 | -177 | -174.2 | 166.6 | 0 | 113.3 | S1367 I1368 R1369 V1374 I1375 L1460 | S1367-K1371 WeakPolarHBondContact O-CE 3.46Å; S1367-K1371 PolarHBondContact O-NZ 3.24Å; I1368-K1371 WeakPolarHBondContact O-CB 3.39Å; I1368-K1371 PolarHBondContact O-N 3.15Å; R1369-K1371 PolarHBondContact O-N 3.39Å; K1371-V1374 HydrophobicContact CB-CB 4.38Å; K1371-V1374 HydrophobicContact CB-CG2 4.47Å; K1371-V1374 PolarHBondContact O-N 3.47Å; K1371-I1375 WeakPolarHBondContact O-CG1 3.5Å; K1371-I1375 PolarHBondContact O-N 3.24Å; K1371-L1460 HydrophobicContact CB-CD1 4.07Å; K1371-L1460 HydrophobicContact CD-CD1 3.91Å; K1371-L1460 HydrophobicContact CD-CD2 3.87Å | ||
| 1372 | Q | 81.8 | Confident | 80.6 | Confident | 55 Ų | 55 | 61.9 Ų | 61.9 | 26% | 0.257 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.8 | -52 | -177.4 | -71.5 | 164.2 | -8.9 | 0 | 0 | 110.4 | L1355 M1358 G1370 V1374 I1375 F1376 | L1355-Q1372 HydrophobicContact CD1-CB 4.34Å; M1358-Q1372 HydrophobicContact CE-CG 3.93Å; M1358-Q1372 HydrophobicContact CG-CG 4.09Å; M1358-Q1372 HydrophobicContact SD-CG 3.9Å; G1370-Q1372 VanDerWaalsContact C-N 3.26Å; G1370-Q1372 PolarHBondContact O-N 3.07Å; Q1372-V1374 PolarHBondContact O-N 2.89Å; Q1372-I1375 PolarHBondContact O-N 3.4Å; Q1372-I1375 VanDerWaalsContact O-N 3.16Å; Q1372-F1376 WeakPolarHBondContact O-CD2 3.42Å; Q1372-F1376 PolarHBondContact O-N 2.8Å |
| 1373 | D | 80.2 | Confident | 81.6 | Confident | 127 Ų | 127 | 54 Ų | 54 | 68% | 0.679 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -64.8 | -24.7 | -179.6 | -48.9 | -70.1 | 0 | 0 | 0 | 113.2 | L1377 | D1373-L1377 WeakPolarHBondContact O-CA 3.25Å; D1373-L1377 PolarHBondContact O-N 3.16Å |
| 1374 | V | 82.5 | Confident | 82.1 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 38% | 0.376 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -84.3 | -29.5 | 177.6 | -165.2 | 0 | 0 | 0 | 0 | 112 | K1371 Q1372 L1377 D1456 S1457 L1460 | K1371-V1374 HydrophobicContact CB-CB 4.38Å; K1371-V1374 HydrophobicContact CB-CG2 4.47Å; K1371-V1374 PolarHBondContact O-N 3.47Å; Q1372-V1374 PolarHBondContact O-N 2.89Å; V1374-L1377 VanDerWaalsContact O-CD2 3.28Å; V1374-L1377 WeakPolarHBondContact O-CD2 3.45Å; V1374-D1456 HydrophobicContact CG1-CB 4.19Å; V1374-S1457 VanDerWaalsContact O-CA 3.31Å; V1374-S1457 WeakPolarHBondContact O-CA 3.48Å; V1374-S1457 WeakPolarHBondContact O-CB 3.41Å; V1374-L1460 HydrophobicContact CB-CD1 3.81Å; V1374-L1460 HydrophobicContact CG1-CD1 3.6Å |
| 1375 | I | 85.2 | Confident | 82.6 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -80.4 | -48.7 | 177.6 | -71.7 | 170 | 0 | 0 | 0 | 110.7 | M1358 I1368 K1371 Q1372 S1457 L1460 V1461 F1470 L1501 | M1358-I1375 HydrophobicContact CE-CD1 4.07Å; M1358-I1375 HydrophobicContact SD-CD1 4.26Å; I1368-I1375 HydrophobicContact CB-CD1 3.83Å; I1368-I1375 HydrophobicContact CG2-CD1 3.81Å; K1371-I1375 WeakPolarHBondContact O-CG1 3.5Å; K1371-I1375 PolarHBondContact O-N 3.24Å; Q1372-I1375 PolarHBondContact O-N 3.4Å; Q1372-I1375 VanDerWaalsContact O-N 3.16Å; I1375-S1457 PolarHBondContact O-OG 3.05Å; I1375-L1460 HydrophobicContact CD1-CB 4.44Å; I1375-L1460 HydrophobicContact CG1-CB 3.92Å; I1375-L1460 HydrophobicContact CG1-CD1 3.85Å; I1375-V1461 HydrophobicContact CG2-CG2 3.87Å; I1375-F1470 HydrophobicContact CD1-CE2 4.39Å; I1375-F1470 HydrophobicContact CD1-CZ 4.28Å; I1375-F1470 HydrophobicContact CG2-CE2 4.34Å; I1375-F1470 HydrophobicContact CG2-CZ 4.12Å; I1375-L1501 HydrophobicContact CG2-CD2 4.38Å |
| 1376 | F | 88.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 47.2 Ų | 47.2 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -91.5 | -20.6 | -174.2 | -66 | -77.3 | 0 | 0 | 0 | 113.5 | L1355 M1358 Q1372 I1379 F1470 L1501 L1505 | L1355-F1376 HydrophobicContact CB-CD1 4.07Å; L1355-F1376 HydrophobicContact CB-CD2 4.2Å; L1355-F1376 HydrophobicContact CB-CE1 4.09Å; L1355-F1376 HydrophobicContact CB-CE2 4.22Å; L1355-F1376 HydrophobicContact CB-CG 4.13Å; L1355-F1376 HydrophobicContact CB-CZ 4.18Å; L1355-F1376 HydrophobicContact CD1-CB 4.25Å; L1355-F1376 HydrophobicContact CD1-CD2 3.44Å; L1355-F1376 VanDerWaalsContact CD1-CD2 3.44Å; L1355-F1376 HydrophobicContact CD1-CE2 3.93Å; L1355-F1376 HydrophobicContact CD1-CG 3.85Å; L1355-F1376 HydrophobicContact CG-CD2 4.4Å; L1355-F1376 HydrophobicContact CG-CG 4.49Å; M1358-F1376 HydrophobicContact CB-CE2 4.35Å; M1358-F1376 HydrophobicContact SD-CE2 3.85Å; Q1372-F1376 WeakPolarHBondContact O-CD2 3.42Å; Q1372-F1376 PolarHBondContact O-N 2.8Å; F1376-I1379 HydrophobicContact CB-CG2 4.04Å; F1376-I1379 VanDerWaalsContact O-CB 3.3Å; F1376-I1379 WeakPolarHBondContact O-CB 3.21Å; F1376-I1379 VanDerWaalsContact O-CG2 3.3Å; F1376-I1379 WeakPolarHBondContact O-CG2 3.26Å; F1376-F1470 HydrophobicContact CE2-CZ 4.47Å; F1376-F1470 HydrophobicContact CZ-CE1 4.04Å; F1376-F1470 HydrophobicContact CZ-CZ 4.27Å; F1376-L1501 HydrophobicContact CD1-CD1 4.36Å; F1376-L1501 HydrophobicContact CE1-CD1 3.64Å; F1376-L1501 HydrophobicContact CE1-CD2 4.41Å; F1376-L1501 HydrophobicContact CZ-CD1 4.41Å; F1376-L1501 HydrophobicContact CZ-CD2 4.43Å; F1376-L1505 HydrophobicContact CD1-CD2 4.18Å |
| 1377 | L | 90.2 | Very high | 82.9 | Confident | 20 Ų | 20 | 46.3 Ų | 46.3 | 11% | 0.105 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | -162.7 | -176.3 | -47.4 | 179.9 | 0 | 0 | 0 | 111.2 | D1373 V1374 I1379 Y1450 K1454 | D1373-L1377 WeakPolarHBondContact O-CA 3.25Å; D1373-L1377 PolarHBondContact O-N 3.16Å; V1374-L1377 VanDerWaalsContact O-CD2 3.28Å; V1374-L1377 WeakPolarHBondContact O-CD2 3.45Å; L1377-I1379 PolarHBondContact O-N 2.63Å; L1377-Y1450 HydrophobicContact CB-CD2 3.75Å; L1377-Y1450 HydrophobicContact CB-CE2 3.63Å; L1377-Y1450 HydrophobicContact CD1-CD1 4.36Å; L1377-Y1450 HydrophobicContact CD1-CD2 4.11Å; L1377-Y1450 HydrophobicContact CD1-CE1 4.27Å; L1377-Y1450 HydrophobicContact CD1-CE2 3.99Å; L1377-Y1450 HydrophobicContact CD1-CG 4.28Å; L1377-Y1450 WeakPolarHBondContact CD1-O 3.34Å; L1377-Y1450 HydrophobicContact CG-CE2 4.28Å; L1377-K1454 HydrophobicContact CD1-CB 4.44Å; L1377-K1454 HydrophobicContact CD1-CD 4.16Å |
| 1378 | N | 88.2 | Confident | 82.1 | Confident | 35 Ų | 35 | 49.7 Ų | 49.7 | 19% | 0.187 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | 32.4 | 175.9 | 64.8 | -39 | 0 | 0 | 0 | 113.7 | K1380 Q1381 I1382 M1446 Y1450 | N1378-K1380 PolarHBondContact O-N 2.93Å; N1378-Q1381 HydrophobicContact CB-CB 4.12Å; N1378-Q1381 PolarHBondContact ND2-OE1 3.46Å; N1378-Q1381 WeakPolarHBondContact O-CB 3.36Å; N1378-Q1381 PolarHBondContact O-N 2.73Å; N1378-Q1381 VanDerWaalsContact O-N 3.12Å; N1378-I1382 PolarHBondContact O-N 3.12Å; N1378-I1382 VanDerWaalsContact O-N 3.17Å; N1378-M1446 PolarHBondContact ND2-O 3.1Å; N1378-Y1450 WeakPolarHBondContact OD1-CD2 3.43Å |
| 1379 | I | 88.4 | Confident | 80.5 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.005 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58 | -32.1 | 179.1 | -162.6 | 166 | 0 | 0 | 0 | 112.8 | L1347 C1350 I1351 F1376 L1377 I1382 Y1383 Y1450 L1505 | L1347-I1379 HydrophobicContact CD2-CD1 3.85Å; L1347-I1379 HydrophobicContact CD2-CG1 3.68Å; C1350-I1379 HydrophobicContact CB-CD1 4.14Å; I1351-I1379 HydrophobicContact CG1-CG2 4.32Å; F1376-I1379 HydrophobicContact CB-CG2 4.04Å; F1376-I1379 VanDerWaalsContact O-CB 3.3Å; F1376-I1379 WeakPolarHBondContact O-CB 3.21Å; F1376-I1379 VanDerWaalsContact O-CG2 3.3Å; F1376-I1379 WeakPolarHBondContact O-CG2 3.26Å; L1377-I1379 PolarHBondContact O-N 2.63Å; I1379-I1382 PolarHBondContact O-N 2.98Å; I1379-Y1383 PolarHBondContact O-N 3.38Å; I1379-Y1450 HydrophobicContact CB-CE2 3.97Å; I1379-Y1450 HydrophobicContact CG1-CE2 4.46Å; I1379-L1505 HydrophobicContact CD1-CD2 4.26Å |
| 1380 | K | 85.1 | Confident | 78.6 | Confident | 96 Ų | 96 | 47.5 Ų | 47.5 | 42% | 0.417 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -66 | -46.9 | 175.6 | -171 | 173.6 | 179.1 | 178.8 | 0 | 111.8 | I1351 N1378 I1382 Y1383 D1384 | I1351-K1380 HydrophobicContact CD1-CB 4.41Å; N1378-K1380 PolarHBondContact O-N 2.93Å; K1380-I1382 PolarHBondContact O-N 3.2Å; K1380-Y1383 WeakPolarHBondContact O-CB 3.34Å; K1380-Y1383 PolarHBondContact O-N 3.19Å; K1380-Y1383 VanDerWaalsContact O-N 3.09Å; K1380-D1384 PolarHBondContact O-N 2.89Å |
| 1381 | Q | 84.1 | Confident | 76.5 | Confident | 101 Ų | 101 | 51.4 Ų | 51.4 | 47% | 0.472 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -57.5 | -37.3 | 174.6 | -171.5 | -174.5 | 39.9 | 0 | 0 | 112.3 | N1378 F1385 | N1378-Q1381 HydrophobicContact CB-CB 4.12Å; N1378-Q1381 PolarHBondContact ND2-OE1 3.46Å; N1378-Q1381 WeakPolarHBondContact O-CB 3.36Å; N1378-Q1381 PolarHBondContact O-N 2.73Å; N1378-Q1381 VanDerWaalsContact O-N 3.12Å; Q1381-F1385 WeakPolarHBondContact O-CB 3.45Å; Q1381-F1385 PolarHBondContact O-N 3.28Å; Q1381-F1385 VanDerWaalsContact O-N 3.14Å |
| 1382 | I | 88.5 | Confident | 74.2 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -70.1 | -41.4 | 176.3 | -62.8 | 167.9 | 0 | 0 | 0 | 111.3 | Y1343 L1347 N1378 I1379 K1380 H1386 M1446 Y1447 Y1450 P1508 | Y1343-I1382 WeakPolarHBondContact OH-CG2 3.48Å; L1347-I1382 HydrophobicContact CD1-CG2 3.99Å; N1378-I1382 PolarHBondContact O-N 3.12Å; N1378-I1382 VanDerWaalsContact O-N 3.17Å; I1379-I1382 PolarHBondContact O-N 2.98Å; K1380-I1382 PolarHBondContact O-N 3.2Å; I1382-H1386 PolarHBondContact O-CD2 3.25Å; I1382-H1386 PolarHBondContact O-N 3.37Å; I1382-M1446 HydrophobicContact CB-SD 4.21Å; I1382-M1446 HydrophobicContact CG1-CB 4.46Å; I1382-M1446 HydrophobicContact CG1-CG 3.86Å; I1382-M1446 HydrophobicContact CG1-SD 3.71Å; I1382-Y1447 HydrophobicContact CD1-CD1 4.29Å; I1382-Y1447 HydrophobicContact CD1-CE1 4.35Å; I1382-Y1447 HydrophobicContact CG2-CE1 4.01Å; I1382-Y1447 HydrophobicContact CG2-CE2 4.22Å; I1382-Y1447 WeakPolarHBondContact CG2-OH 3.44Å; I1382-Y1450 HydrophobicContact CD1-CD2 3.5Å; I1382-Y1450 VanDerWaalsContact CD1-CD2 3.5Å; I1382-Y1450 HydrophobicContact CD1-CE2 4.25Å; I1382-Y1450 HydrophobicContact CD1-CG 3.83Å; I1382-P1508 HydrophobicContact CD1-CB 4.27Å |
| 1383 | Y | 86 | Confident | 71.8 | Confident | 18 Ų | 18 | 62.7 Ų | 62.7 | 7% | 0.071 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -47.8 | 173.2 | 164.3 | -88.7 | 0 | 0 | 0 | 111.9 | L1347 E1348 I1351 I1379 K1380 F1385 H1386 K1387 E1388 | L1347-Y1383 HydrophobicContact CB-CD2 4.09Å; E1348-Y1383 HydrophobicContact CB-CD2 4.34Å; E1348-Y1383 HydrophobicContact CB-CE2 3.82Å; E1348-Y1383 HydrophobicContact CG-CE2 4.25Å; I1351-Y1383 VanDerWaalsContact CD1-CB 3.48Å; I1351-Y1383 HydrophobicContact CD1-CD1 4Å; I1351-Y1383 HydrophobicContact CD1-CD2 4.15Å; I1351-Y1383 HydrophobicContact CD1-CG 3.6Å; I1379-Y1383 PolarHBondContact O-N 3.38Å; K1380-Y1383 WeakPolarHBondContact O-CB 3.34Å; K1380-Y1383 PolarHBondContact O-N 3.19Å; K1380-Y1383 VanDerWaalsContact O-N 3.09Å; Y1383-F1385 VanDerWaalsContact C-N 3.33Å; Y1383-F1385 PolarHBondContact O-N 3.03Å; Y1383-H1386 PolarHBondContact O-N 3.22Å; Y1383-H1386 VanDerWaalsContact O-N 3.07Å; Y1383-K1387 HydrophobicContact CE2-CB 4.12Å; Y1383-K1387 HydrophobicContact CE2-CD 3.73Å; Y1383-K1387 HydrophobicContact CE2-CG 4.35Å; Y1383-K1387 PolarHBondContact O-N 3.15Å; Y1383-K1387 WeakPolarHBondContact OH-CD 3.28Å; Y1383-K1387 WeakPolarHBondContact OH-CE 3.36Å; Y1383-K1387 PolarHBondContact OH-NZ 3.02Å; Y1383-E1388 HydrophobicContact CE1-CB 4.01Å; Y1383-E1388 WeakPolarHBondContact CE1-OE2 3.36Å; Y1383-E1388 PolarHBondContact OH-OE2 3.43Å |
| 1384 | D | 80.9 | Confident | 69.6 | Low | 41 Ų | 41 | 59.8 Ų | 59.8 | 22% | 0.219 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | -178.5 | -59.2 | -29.4 | 0 | 0 | 0 | 110.1 | K1380 H1386 E1388 T1390 | K1380-D1384 PolarHBondContact O-N 2.89Å; D1384-H1386 VanDerWaalsContact C-N 3.29Å; D1384-H1386 PolarHBondContact O-N 3.48Å; D1384-E1388 CarbonylContact C-O 3.37Å; D1384-E1388 WeakPolarHBondContact CA-O 3.39Å; D1384-E1388 CarbonylContact O-C 3.59Å; D1384-E1388 VanDerWaalsContact O-C 3.3Å; D1384-E1388 PolarHBondContact O-N 3.44Å; D1384-T1390 HydrophobicContact CB-CG2 3.52Å |
| 1385 | F | 83.9 | Confident | 67.2 | Low | 8 Ų | 8 | 61.4 Ų | 61.4 | 4% | 0.035 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -55.5 | -39.2 | 174.2 | 169.1 | -117.2 | 0 | 0 | 0 | 114 | Q1381 Y1383 F1419 W1440 K1443 F1444 M1446 | Q1381-F1385 WeakPolarHBondContact O-CB 3.45Å; Q1381-F1385 PolarHBondContact O-N 3.28Å; Q1381-F1385 VanDerWaalsContact O-N 3.14Å; Y1383-F1385 VanDerWaalsContact C-N 3.33Å; Y1383-F1385 PolarHBondContact O-N 3.03Å; F1385-F1419 HydrophobicContact CD1-CB 4.49Å; F1385-F1419 HydrophobicContact CD2-CB 4.39Å; F1385-F1419 HydrophobicContact CE1-CB 4.1Å; F1385-F1419 HydrophobicContact CE1-CD2 4.16Å; F1385-F1419 HydrophobicContact CE1-CG 4.03Å; F1385-F1419 HydrophobicContact CE2-CB 3.99Å; F1385-F1419 HydrophobicContact CE2-CD2 4.15Å; F1385-F1419 HydrophobicContact CE2-CG 4.36Å; F1385-F1419 HydrophobicContact CZ-CB 3.84Å; F1385-F1419 AromaticContact CZ-CD2 3.52Å; F1385-F1419 HydrophobicContact CZ-CD2 3.52Å; F1385-F1419 HydrophobicContact CZ-CE2 4.25Å; F1385-F1419 AromaticContact CZ-CG 3.76Å; F1385-F1419 HydrophobicContact CZ-CG 3.76Å; F1385-F1419 PolarHBondContact O-N 3.32Å; F1385-W1440 HydrophobicContact CE2-CD2 4.02Å; F1385-W1440 AromaticContact CE2-CE3 3.72Å; F1385-W1440 HydrophobicContact CE2-CE3 3.72Å; F1385-W1440 HydrophobicContact CE2-CG 4.4Å; F1385-W1440 HydrophobicContact CE2-CZ3 4.19Å; F1385-W1440 HydrophobicContact CZ-CB 4.31Å; F1385-K1443 HydrophobicContact CD2-CB 4.34Å; F1385-K1443 HydrophobicContact CD2-CD 3.89Å; F1385-K1443 HydrophobicContact CE2-CB 3.93Å; F1385-K1443 HydrophobicContact CE2-CD 3.97Å; F1385-K1443 HydrophobicContact CZ-CB 4.38Å; F1385-F1444 HydrophobicContact CE1-CE1 4.18Å; F1385-F1444 HydrophobicContact CE1-CZ 4.37Å; F1385-F1444 HydrophobicContact CZ-CE1 4.49Å; F1385-F1444 HydrophobicContact CZ-CZ 4.27Å; F1385-M1446 HydrophobicContact CB-CE 3.67Å; F1385-M1446 HydrophobicContact CB-SD 3.94Å; F1385-M1446 HydrophobicContact CD1-CE 3.67Å; F1385-M1446 HydrophobicContact CD1-SD 3.96Å; F1385-M1446 HydrophobicContact CD2-CE 3.85Å; F1385-M1446 HydrophobicContact CE1-CE 4.23Å; F1385-M1446 HydrophobicContact CE2-CE 4.4Å; F1385-M1446 HydrophobicContact CG-CE 3.45Å; F1385-M1446 VanDerWaalsContact CG-CE 3.45Å; F1385-M1446 HydrophobicContact CG-SD 4.08Å |
| 1386 | H | 87 | Confident | 64.6 | Low | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -89.1 | -25.7 | -175.9 | -75.7 | -55.9 | 0 | 0 | 0 | 115.3 | E1340 Y1343 V1344 I1382 Y1383 D1384 I1418 F1419 L1420 Y1447 Y1515 | E1340-H1386 IonicContact OE1-CE1 3.75Å; E1340-H1386 IonicContact OE1-ND1 3.23Å; Y1343-H1386 AromaticContact CE1-CD2 3.81Å; Y1343-H1386 AromaticContact CE1-NE2 3.95Å; V1344-H1386 HydrophobicContact CG2-CB 3.69Å; I1382-H1386 PolarHBondContact O-CD2 3.25Å; I1382-H1386 PolarHBondContact O-N 3.37Å; Y1383-H1386 PolarHBondContact O-N 3.22Å; Y1383-H1386 VanDerWaalsContact O-N 3.07Å; D1384-H1386 VanDerWaalsContact C-N 3.29Å; D1384-H1386 PolarHBondContact O-N 3.48Å; H1386-I1418 VanDerWaalsContact C-CG2 3.44Å; H1386-I1418 WeakPolarHBondContact O-CG2 3.41Å; H1386-F1419 AromaticContact CE1-CD1 3.42Å; H1386-F1419 VanDerWaalsContact CE1-CD1 3.42Å; H1386-F1419 WeakPolarHBondContact CE1-CD1 3.14Å; H1386-F1419 AromaticContact CE1-CE1 3.92Å; H1386-F1419 AromaticContact CE1-CG 4Å; H1386-F1419 AromaticContact ND1-CD1 3.25Å; H1386-F1419 VanDerWaalsContact ND1-CD1 3.25Å; H1386-F1419 WeakPolarHBondContact ND1-CD1 3.4Å; H1386-F1419 AromaticContact ND1-CG 3.75Å; H1386-L1420 VanDerWaalsContact O-CB 3.3Å; H1386-L1420 WeakPolarHBondContact O-CB 3.37Å; H1386-Y1447 AromaticContact NE2-CZ 3.87Å; H1386-Y1447 PolarHBondContact NE2-OH 3.02Å; H1386-Y1515 PolarHBondContact CE1-OH 3.22Å; H1386-Y1515 VanDerWaalsContact CE1-OH 3.3Å |
| 1387 | K | 71.6 | Confident | 61.9 | Low | 70 Ų | 70 | 78.2 Ų | 78.2 | 30% | 0.304 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -128.9 | -31.5 | -175.5 | -177.8 | 169.8 | 159.2 | -139.3 | 0 | 115.9 | V1344 E1348 Y1383 I1418 | V1344-K1387 HydrophobicContact CG1-CB 3.72Å; V1344-K1387 HydrophobicContact CG1-CD 3.49Å; V1344-K1387 VanDerWaalsContact CG1-CD 3.49Å; V1344-K1387 HydrophobicContact CG1-CG 4.04Å; E1348-K1387 VanDerWaalsContact CD-NZ 3.26Å; E1348-K1387 IonicContact OE1-NZ 2.64Å; E1348-K1387 IonicContact OE2-NZ 2.76Å; E1348-K1387 PolarHBondContact OE2-NZ 3.49Å; Y1383-K1387 HydrophobicContact CE2-CB 4.12Å; Y1383-K1387 HydrophobicContact CE2-CD 3.73Å; Y1383-K1387 HydrophobicContact CE2-CG 4.35Å; Y1383-K1387 PolarHBondContact O-N 3.15Å; Y1383-K1387 WeakPolarHBondContact OH-CD 3.28Å; Y1383-K1387 WeakPolarHBondContact OH-CE 3.36Å; Y1383-K1387 PolarHBondContact OH-NZ 3.02Å; K1387-I1418 WeakPolarHBondContact O-CD1 3.28Å |
| 1388 | E | 54.8 | Low | 59 | Low | 108 Ų | 108 | 81.2 Ų | 81.2 | 51% | 0.505 | 40% | 0.401 | S | S | . | . | S | Bend | trans | -143.1 | 109.4 | -158.7 | -157 | 150.4 | -161.7 | 0 | 0 | 112.9 | Y1383 D1384 T1390 | Y1383-E1388 HydrophobicContact CE1-CB 4.01Å; Y1383-E1388 WeakPolarHBondContact CE1-OE2 3.36Å; Y1383-E1388 PolarHBondContact OH-OE2 3.43Å; D1384-E1388 CarbonylContact C-O 3.37Å; D1384-E1388 WeakPolarHBondContact CA-O 3.39Å; D1384-E1388 CarbonylContact O-C 3.59Å; D1384-E1388 VanDerWaalsContact O-C 3.3Å; D1384-E1388 PolarHBondContact O-N 3.44Å; E1388-T1390 PolarHBondContact O-N 2.98Å |
| 1389 | C | 46.5 | Very low | 56.2 | Low | 52 Ų | 52 | 86.9 Ų | 86.9 | 35% | 0.351 | 43% | 0.426 | S | S | . | . | trans | -46.7 | 115.4 | -161.8 | -178.8 | 0 | 0 | 0 | 0 | 115.5 | H1391 F1416 | C1389-H1391 VanDerWaalsContact C-N 3.27Å; C1389-H1391 PolarHBondContact O-N 3.37Å; C1389-F1416 WeakPolarHBondContact SG-CD1 3.32Å | ||
| 1390 | T | 38.1 | Very low | 53.4 | Low | 59 Ų | 59 | 93.6 Ų | 93.6 | 36% | 0.362 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | 63.9 | 179.9 | 61.9 | 0 | 0 | 0 | 0 | 114 | D1384 E1388 | D1384-T1390 HydrophobicContact CB-CG2 3.52Å; E1388-T1390 PolarHBondContact O-N 2.98Å |
| 1391 | H | 36.1 | Very low | 50.6 | Low | 142 Ų | 142 | 92.3 Ų | 92.3 | 66% | 0.657 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -162.9 | 4.9 | 153.6 | -130.6 | -79.3 | 0 | 0 | 0 | 118.6 | C1389 Y1393 | C1389-H1391 VanDerWaalsContact C-N 3.27Å; C1389-H1391 PolarHBondContact O-N 3.37Å; H1391-Y1393 PolarHBondContact O-N 3.33Å |
| 1392 | M | 30.1 | Very low | 47.8 | Very low | 162 Ų | 162 | 91.6 Ų | 91.6 | 80% | 0.798 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -71.7 | -4.3 | -170 | -149.8 | -179.3 | 73.3 | 0 | 0 | 115.8 | A1394 | M1392-A1394 PolarHBondContact O-N 3.39Š|
| 1393 | Y | 32.7 | Very low | 44.9 | Very low | 211 Ų | 211 | 99.8 Ų | 99.8 | 83% | 0.827 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -82.7 | -5.2 | -177 | -80.6 | -74.1 | 0 | 0 | 0 | 115.8 | H1391 | H1391-Y1393 PolarHBondContact O-N 3.33Š|
| 1394 | A | 33 | Very low | 42.2 | Very low | 66 Ų | 66 | 103.4 Ų | 103.4 | 55% | 0.545 | 56% | 0.564 | S | S | . | * | G | 310 helix | trans | -96.7 | 2.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | M1392 | M1392-A1394 PolarHBondContact O-N 3.39Š|
| 1395 | V | 32.1 | Very low | 39.7 | Very low | 97 Ų | 97 | 106.7 Ų | 106.7 | 59% | 0.588 | 59% | 0.59 | S | S | * | * | S | Bend | trans | -104.3 | -17.8 | -169 | -175.6 | 0 | 0 | 0 | 0 | 113.3 | D1397 V1398 | V1395-D1397 PolarHBondContact O-N 3.01Å; V1395-V1398 PolarHBondContact O-N 3.49Å |
| 1396 | R | 31.8 | Very low | 37 | Very low | 208 Ų | 208 | 116.4 Ų | 116.4 | 79% | 0.785 | 63% | 0.633 | S | S | * | * | G | 310 helix | trans | -77.3 | -18 | -169.5 | -136.7 | 175.7 | -169.4 | 169.1 | 4.5 | 115.3 | V1398 | R1396-V1398 VanDerWaalsContact C-N 3.34Š|
| 1397 | D | 30.2 | Very low | 34.2 | Very low | 148 Ų | 148 | 121.6 Ų | 121.6 | 79% | 0.791 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -92.2 | 12.4 | 176.6 | -63 | -40.5 | 0 | 0 | 0 | 113.4 | V1395 | V1395-D1397 PolarHBondContact O-N 3.01Š|
| 1398 | V | 30.6 | Very low | 32.1 | Very low | 82 Ų | 82 | 125.3 Ų | 125.3 | 50% | 0.497 | 69% | 0.69 | S | S | . | * | G | 310 helix | trans | -111.8 | -1.7 | -178.7 | -164.7 | 0 | 0 | 0 | 0 | 112.7 | V1395 R1396 T1400 A1401 | V1395-V1398 PolarHBondContact O-N 3.49Å; R1396-V1398 VanDerWaalsContact C-N 3.34Å; V1398-T1400 PolarHBondContact O-N 2.94Å; V1398-T1400 VanDerWaalsContact O-N 3.08Å; V1398-A1401 HydrophobicContact CG1-CB 4.25Å; V1398-A1401 PolarHBondContact O-N 2.98Å |
| 1399 | E | 29.1 | Very low | 30.8 | Very low | 155 Ų | 155 | 129.1 Ų | 129.1 | 72% | 0.724 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.1 | -16.8 | 175.1 | -66.7 | -170.8 | 148.2 | 0 | 0 | 112.9 | ||
| 1400 | T | 29 | Very low | 30 | Very low | 141 Ų | 141 | 130.6 Ų | 130.6 | 87% | 0.865 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -4.1 | 174.2 | 47.2 | 0 | 0 | 0 | 0 | 115.1 | V1398 | V1398-T1400 PolarHBondContact O-N 2.94Å; V1398-T1400 VanDerWaalsContact O-N 3.08Å |
| 1401 | A | 26.1 | Very low | 29.5 | Very low | 70 Ų | 70 | 131.4 Ų | 131.4 | 58% | 0.579 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -118.7 | 3.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V1398 N1403 | V1398-A1401 HydrophobicContact CG1-CB 4.25Å; V1398-A1401 PolarHBondContact O-N 2.98Å; A1401-N1403 PolarHBondContact O-N 3.29Å |
| 1402 | A | 26.4 | Very low | 29 | Very low | 85 Ų | 85 | 128.3 Ų | 128.3 | 70% | 0.702 | 73% | 0.725 | S | S | * | * | trans | -79.5 | 43 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1403 | N | 27.1 | Very low | 29 | Very low | 173 Ų | 173 | 125.7 Ų | 125.7 | 93% | 0.925 | 72% | 0.718 | S | S | * | * | trans | -114.8 | 37.3 | 174.3 | -128.9 | -2.1 | 0 | 0 | 0 | 112.3 | A1401 | A1401-N1403 PolarHBondContact O-N 3.29Š| ||
| 1404 | A | 30.1 | Very low | 29.1 | Very low | 94 Ų | 94 | 121 Ų | 121 | 78% | 0.777 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -134.9 | 134.5 | 170.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 1405 | S | 27 | Very low | 29.1 | Very low | 110 Ų | 110 | 123.5 Ų | 123.5 | 77% | 0.769 | 72% | 0.715 | S | S | * | * | trans | -98.7 | 155.9 | -164.6 | 50.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1406 | F | 26.8 | Very low | 29.3 | Very low | 212 Ų | 212 | 124.9 Ų | 124.9 | 93% | 0.93 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 53.9 | 84.5 | 156.7 | -94 | -102.6 | 0 | 0 | 0 | 118.5 | ||
| 1407 | S | 28.6 | Very low | 30.3 | Very low | 109 Ų | 109 | 120.7 Ų | 120.7 | 76% | 0.762 | 70% | 0.697 | S | S | * | * | trans | -162.7 | -34.5 | 145.5 | -161.2 | 0 | 0 | 0 | 0 | 114.6 | K1409 | S1407-K1409 PolarHBondContact O-N 3.42Š| ||
| 1408 | I | 27.5 | Very low | 32.1 | Very low | 148 Ų | 148 | 114.9 Ų | 114.9 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | 58.2 | -167.3 | -38.7 | -179.5 | 0 | 0 | 0 | 113.3 | ||
| 1409 | K | 28.4 | Very low | 34.5 | Very low | 187 Ų | 187 | 111 Ų | 111 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.9 | -6.9 | 168.2 | -81.5 | -167.4 | 173.5 | -176.6 | 0 | 114.9 | S1407 V1413 | S1407-K1409 PolarHBondContact O-N 3.42Å; K1409-V1413 WeakPolarHBondContact O-CG2 3.29Å |
| 1410 | A | 29.4 | Very low | 36.9 | Very low | 84 Ų | 84 | 104.7 Ų | 104.7 | 69% | 0.694 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -84.3 | -51.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | T1412 V1413 | A1410-T1412 VanDerWaalsContact C-N 3.29Å; A1410-T1412 PolarHBondContact O-N 3Å; A1410-V1413 PolarHBondContact O-N 2.76Å |
| 1411 | A | 28.3 | Very low | 39 | Very low | 76 Ų | 76 | 102.8 Ų | 102.8 | 63% | 0.628 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -64 | -31.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | V1413 V1414 | A1411-V1413 PolarHBondContact O-N 3.44Å; A1411-V1413 VanDerWaalsContact O-N 3.12Å; A1411-V1414 WeakPolarHBondContact O-CG2 3.4Å; A1411-V1414 PolarHBondContact O-N 3.18Å |
| 1412 | T | 25.2 | Very low | 41.2 | Very low | 77 Ų | 77 | 100.1 Ų | 100.1 | 47% | 0.472 | 57% | 0.57 | S | S | . | * | G | 310 helix | trans | -72 | -0.4 | -178.7 | -22.9 | 0 | 0 | 0 | 0 | 114 | A1410 F1416 | A1410-T1412 VanDerWaalsContact C-N 3.29Å; A1410-T1412 PolarHBondContact O-N 3Å; T1412-F1416 HydrophobicContact CG2-CE2 4.28Å |
| 1413 | V | 30 | Very low | 43.7 | Very low | 106 Ų | 106 | 96 Ų | 96 | 64% | 0.642 | 54% | 0.537 | S | S | * | . | G | 310 helix | trans | -96.2 | 0.8 | 175.8 | -169.7 | 0 | 0 | 0 | 0 | 111.8 | K1409 A1410 A1411 L1415 | K1409-V1413 WeakPolarHBondContact O-CG2 3.29Å; A1410-V1413 PolarHBondContact O-N 2.76Å; A1411-V1413 PolarHBondContact O-N 3.44Å; A1411-V1413 VanDerWaalsContact O-N 3.12Å; V1413-L1415 VanDerWaalsContact C-N 3.29Å; V1413-L1415 PolarHBondContact O-N 3.36Å |
| 1414 | V | 34.5 | Very low | 46.1 | Very low | 114 Ų | 114 | 90.6 Ų | 90.6 | 69% | 0.691 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -66.7 | 93.5 | 163.3 | -179.1 | 0 | 0 | 0 | 0 | 108.2 | A1411 F1416 | A1411-V1414 WeakPolarHBondContact O-CG2 3.4Å; A1411-V1414 PolarHBondContact O-N 3.18Å; V1414-F1416 PolarHBondContact O-N 3.21Å; V1414-F1416 VanDerWaalsContact O-N 3.16Å |
| 1415 | L | 32.2 | Very low | 48.2 | Very low | 117 Ų | 117 | 90.8 Ų | 90.8 | 61% | 0.613 | 49% | 0.489 | S | S | * | . | trans | -38.6 | 114.5 | -173.6 | -71.5 | 158.1 | 0 | 0 | 0 | 112.7 | V1413 R1417 | V1413-L1415 VanDerWaalsContact C-N 3.29Å; V1413-L1415 PolarHBondContact O-N 3.36Å; L1415-R1417 VanDerWaalsContact C-N 3.26Å; L1415-R1417 HydrophobicContact CB-CG 4.16Å; L1415-R1417 WeakPolarHBondContact O-CG 3.4Å; L1415-R1417 PolarHBondContact O-N 3.24Å | ||
| 1416 | F | 36.8 | Very low | 50.6 | Low | 127 Ų | 127 | 87 Ų | 87 | 56% | 0.557 | 46% | 0.458 | S | S | * | . | trans | -66.9 | 82.5 | 171.6 | -70.7 | -67.1 | 0 | 0 | 0 | 110.6 | C1389 T1412 V1414 I1418 | C1389-F1416 WeakPolarHBondContact SG-CD1 3.32Å; T1412-F1416 HydrophobicContact CG2-CE2 4.28Å; V1414-F1416 PolarHBondContact O-N 3.21Å; V1414-F1416 VanDerWaalsContact O-N 3.16Å; F1416-I1418 PolarHBondContact O-N 3.29Å | ||
| 1417 | R | 53.3 | Low | 52.8 | Low | 119 Ų | 119 | 82.3 Ų | 82.3 | 45% | 0.449 | 44% | 0.439 | S | S | . | . | trans | -80 | 115.1 | -178.3 | -69.5 | 164.2 | -174.8 | -133.8 | 13.5 | 110 | L1415 E1422 W1440 | L1415-R1417 VanDerWaalsContact C-N 3.26Å; L1415-R1417 HydrophobicContact CB-CG 4.16Å; L1415-R1417 WeakPolarHBondContact O-CG 3.4Å; L1415-R1417 PolarHBondContact O-N 3.24Å; R1417-E1422 WeakPolarHBondContact CB-OE2 3.49Å; R1417-E1422 WeakPolarHBondContact CD-OE2 3.29Å; R1417-E1422 WeakPolarHBondContact CG-OE2 3.47Å; R1417-E1422 IonicContact CZ-OE1 2.81Å; R1417-E1422 IonicContact NE-OE2 3.11Å; R1417-E1422 IonicContact NH1-OE1 3.24Å; R1417-E1422 PolarHBondContact NH1-OE1 3.29Å; R1417-E1422 IonicContact NH1-OE2 2.69Å; R1417-W1440 HydrophobicContact CB-CZ2 4.12Å; R1417-W1440 VanDerWaalsContact O-CH2 3.26Å; R1417-W1440 WeakPolarHBondContact O-CH2 3.5Å; R1417-W1440 WeakPolarHBondContact O-CZ2 3.34Å | ||
| 1418 | I | 67.8 | Low | 54.7 | Low | 26 Ų | 26 | 82 Ų | 82 | 13% | 0.133 | 44% | 0.437 | C | S | . | . | trans | -83.7 | 143 | 169.7 | -68.9 | 154 | 0 | 0 | 0 | 108 | H1386 K1387 F1416 L1420 Q1421 E1422 | H1386-I1418 VanDerWaalsContact C-CG2 3.44Å; H1386-I1418 WeakPolarHBondContact O-CG2 3.41Å; K1387-I1418 WeakPolarHBondContact O-CD1 3.28Å; F1416-I1418 PolarHBondContact O-N 3.29Å; I1418-L1420 PolarHBondContact O-N 3.29Å; I1418-Q1421 HydrophobicContact CB-CB 4.34Å; I1418-Q1421 HydrophobicContact CB-CG 4.18Å; I1418-Q1421 PolarHBondContact O-N 3.41Å; I1418-E1422 PolarHBondContact O-N 3.42Å | ||
| 1419 | F | 80.6 | Confident | 56.7 | Low | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -56.9 | -45.1 | -171.8 | -177.5 | -96.3 | 0 | 0 | 0 | 113 | F1385 H1386 Q1421 E1422 L1423 F1437 W1440 F1444 | F1385-F1419 HydrophobicContact CD1-CB 4.49Å; F1385-F1419 HydrophobicContact CD2-CB 4.39Å; F1385-F1419 HydrophobicContact CE1-CB 4.1Å; F1385-F1419 HydrophobicContact CE1-CD2 4.16Å; F1385-F1419 HydrophobicContact CE1-CG 4.03Å; F1385-F1419 HydrophobicContact CE2-CB 3.99Å; F1385-F1419 HydrophobicContact CE2-CD2 4.15Å; F1385-F1419 HydrophobicContact CE2-CG 4.36Å; F1385-F1419 HydrophobicContact CZ-CB 3.84Å; F1385-F1419 AromaticContact CZ-CD2 3.52Å; F1385-F1419 HydrophobicContact CZ-CD2 3.52Å; F1385-F1419 HydrophobicContact CZ-CE2 4.25Å; F1385-F1419 AromaticContact CZ-CG 3.76Å; F1385-F1419 HydrophobicContact CZ-CG 3.76Å; F1385-F1419 PolarHBondContact O-N 3.32Å; H1386-F1419 AromaticContact CE1-CD1 3.42Å; H1386-F1419 VanDerWaalsContact CE1-CD1 3.42Å; H1386-F1419 WeakPolarHBondContact CE1-CD1 3.14Å; H1386-F1419 AromaticContact CE1-CE1 3.92Å; H1386-F1419 AromaticContact CE1-CG 4Å; H1386-F1419 AromaticContact ND1-CD1 3.25Å; H1386-F1419 VanDerWaalsContact ND1-CD1 3.25Å; H1386-F1419 WeakPolarHBondContact ND1-CD1 3.4Å; H1386-F1419 AromaticContact ND1-CG 3.75Å; F1419-Q1421 VanDerWaalsContact C-N 3.35Å; F1419-Q1421 PolarHBondContact O-N 3.41Å; F1419-E1422 WeakPolarHBondContact O-CB 3.13Å; F1419-E1422 PolarHBondContact O-N 3.31Å; F1419-E1422 VanDerWaalsContact O-N 3.11Å; F1419-L1423 HydrophobicContact CE1-CD1 4.27Å; F1419-L1423 HydrophobicContact CE1-CD2 4.1Å; F1419-L1423 HydrophobicContact CZ-CD1 4.16Å; F1419-L1423 PolarHBondContact O-N 2.89Å; F1419-F1437 HydrophobicContact CZ-CD1 4.28Å; F1419-F1437 AromaticContact CZ-CE1 3.87Å; F1419-F1437 HydrophobicContact CZ-CE1 3.87Å; F1419-F1437 HydrophobicContact CZ-CZ 4.15Å; F1419-W1440 HydrophobicContact CD2-CB 4.21Å; F1419-W1440 AromaticContact CD2-CD1 3.51Å; F1419-W1440 HydrophobicContact CD2-CD2 4.37Å; F1419-W1440 AromaticContact CD2-CG 3.81Å; F1419-W1440 HydrophobicContact CD2-CG 3.81Å; F1419-W1440 AromaticContact CD2-NE1 3.88Å; F1419-W1440 HydrophobicContact CE2-CB 4.2Å; F1419-W1440 AromaticContact CE2-CD1 3.76Å; F1419-W1440 HydrophobicContact CE2-CG 4.13Å; F1419-F1444 HydrophobicContact CE2-CE2 4.31Å; F1419-F1444 AromaticContact CE2-CZ 3.79Å; F1419-F1444 HydrophobicContact CE2-CZ 3.79Å; F1419-F1444 AromaticContact CZ-CZ 3.9Å; F1419-F1444 HydrophobicContact CZ-CZ 3.9Å |
| 1420 | L | 79.2 | Confident | 58.8 | Low | 23 Ų | 23 | 70.6 Ų | 70.6 | 12% | 0.12 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -57.6 | -43.3 | 175.1 | 174.7 | 59.6 | 0 | 0 | 0 | 112.7 | E1340 R1341 H1386 I1418 E1422 L1423 E1424 | E1340-L1420 HydrophobicContact CB-CD1 4.07Å; E1340-L1420 HydrophobicContact CG-CD1 3.85Å; R1341-L1420 HydrophobicContact CG-CD1 4.22Å; R1341-L1420 HydrophobicContact CG-CD2 4.21Å; H1386-L1420 VanDerWaalsContact O-CB 3.3Å; H1386-L1420 WeakPolarHBondContact O-CB 3.37Å; I1418-L1420 PolarHBondContact O-N 3.29Å; L1420-E1422 VanDerWaalsContact C-N 3.27Å; L1420-E1422 PolarHBondContact O-N 3Å; L1420-L1423 PolarHBondContact O-N 2.91Å; L1420-E1424 HydrophobicContact CD1-CG 4.18Å; L1420-E1424 WeakPolarHBondContact O-CG 3.41Å; L1420-E1424 PolarHBondContact O-N 2.96Å |
| 1421 | Q | 73.6 | Confident | 60.7 | Low | 101 Ų | 101 | 69.2 Ų | 69.2 | 47% | 0.472 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -69.5 | -23 | 177.9 | -67.6 | -177.3 | -14.2 | 0 | 0 | 113.3 | I1418 F1419 K1425 | I1418-Q1421 HydrophobicContact CB-CB 4.34Å; I1418-Q1421 HydrophobicContact CB-CG 4.18Å; I1418-Q1421 PolarHBondContact O-N 3.41Å; F1419-Q1421 VanDerWaalsContact C-N 3.35Å; F1419-Q1421 PolarHBondContact O-N 3.41Å; Q1421-K1425 WeakPolarHBondContact O-CE 3.49Å |
| 1422 | E | 73.2 | Confident | 63 | Low | 14 Ų | 14 | 69 Ų | 69 | 7% | 0.065 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -77 | -42.6 | 170.7 | -152.4 | 63.3 | -152.7 | 0 | 0 | 110.5 | R1417 I1418 F1419 L1420 E1424 K1425 Y1426 | R1417-E1422 WeakPolarHBondContact CB-OE2 3.49Å; R1417-E1422 WeakPolarHBondContact CD-OE2 3.29Å; R1417-E1422 WeakPolarHBondContact CG-OE2 3.47Å; R1417-E1422 IonicContact CZ-OE1 2.81Å; R1417-E1422 IonicContact NE-OE2 3.11Å; R1417-E1422 IonicContact NH1-OE1 3.24Å; R1417-E1422 PolarHBondContact NH1-OE1 3.29Å; R1417-E1422 IonicContact NH1-OE2 2.69Å; I1418-E1422 PolarHBondContact O-N 3.42Å; F1419-E1422 WeakPolarHBondContact O-CB 3.13Å; F1419-E1422 PolarHBondContact O-N 3.31Å; F1419-E1422 VanDerWaalsContact O-N 3.11Å; L1420-E1422 VanDerWaalsContact C-N 3.27Å; L1420-E1422 PolarHBondContact O-N 3Å; E1422-E1424 PolarHBondContact O-N 3.11Å; E1422-K1425 WeakPolarHBondContact O-CB 3.42Å; E1422-K1425 PolarHBondContact O-N 3.19Å; E1422-K1425 IonicContact OE1-NZ 2.82Å; E1422-K1425 PolarHBondContact OE1-NZ 3.46Å; E1422-K1425 IonicContact OE2-NZ 3.81Å; E1422-K1425 PolarHBondContact OE2-NZ 2.89Å; E1422-Y1426 WeakPolarHBondContact O-CD2 3.4Å; E1422-Y1426 VanDerWaalsContact O-CE2 3.29Å; E1422-Y1426 WeakPolarHBondContact O-CE2 3.23Å |
| 1423 | L | 77.9 | Confident | 65.7 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 179.1 | -151.6 | 69.2 | 0 | 0 | 0 | 112.3 | M1333 L1336 L1337 E1340 F1419 L1420 K1425 Y1426 V1433 C1436 F1437 | M1333-L1423 HydrophobicContact CE-CG 4.5Å; M1333-L1423 WeakPolarHBondContact CE-O 3.16Å; L1336-L1423 HydrophobicContact CD1-CD2 4.49Å; L1336-L1423 HydrophobicContact CD2-CD1 4.32Å; L1336-L1423 HydrophobicContact CD2-CD2 4.12Å; L1336-L1423 HydrophobicContact CD2-CG 4.33Å; L1336-L1423 HydrophobicContact CG-CD2 4.01Å; L1337-L1423 HydrophobicContact CD2-CB 4.11Å; L1337-L1423 HydrophobicContact CD2-CD2 4.15Å; L1337-L1423 HydrophobicContact CD2-CG 4.05Å; E1340-L1423 HydrophobicContact CG-CD2 4.42Å; F1419-L1423 HydrophobicContact CE1-CD1 4.27Å; F1419-L1423 HydrophobicContact CE1-CD2 4.1Å; F1419-L1423 HydrophobicContact CZ-CD1 4.16Å; F1419-L1423 PolarHBondContact O-N 2.89Å; L1420-L1423 PolarHBondContact O-N 2.91Å; L1423-K1425 PolarHBondContact O-N 3.03Å; L1423-Y1426 PolarHBondContact O-N 3.25Å; L1423-Y1426 VanDerWaalsContact O-N 3.12Å; L1423-V1433 HydrophobicContact CD1-CG2 3.73Å; L1423-C1436 HydrophobicContact CD1-CB 4.3Å; L1423-F1437 HydrophobicContact CD1-CE2 4.08Å; L1423-F1437 HydrophobicContact CD1-CZ 4.26Å |
| 1424 | E | 76.9 | Confident | 68.1 | Low | 59 Ų | 59 | 60.3 Ų | 60.3 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -60.8 | -23.2 | 176.4 | -75.8 | 174.4 | 156.8 | 0 | 0 | 113.3 | L1337 R1341 L1420 E1422 Y1426 E1427 | L1337-E1424 HydrophobicContact CD2-CG 3.86Å; R1341-E1424 IonicContact CZ-OE1 3.75Å; R1341-E1424 VanDerWaalsContact CZ-OE1 3.31Å; R1341-E1424 IonicContact NE-OE1 3.67Å; R1341-E1424 PolarHBondContact NE-OE1 3.18Å; R1341-E1424 VanDerWaalsContact NE-OE1 3.11Å; R1341-E1424 IonicContact NH2-OE1 2.78Å; R1341-E1424 PolarHBondContact NH2-OE1 3.16Å; L1420-E1424 HydrophobicContact CD1-CG 4.18Å; L1420-E1424 WeakPolarHBondContact O-CG 3.41Å; L1420-E1424 PolarHBondContact O-N 2.96Å; E1422-E1424 PolarHBondContact O-N 3.11Å; E1424-Y1426 VanDerWaalsContact C-N 3.27Å; E1424-Y1426 PolarHBondContact O-N 3.45Å; E1424-E1427 VanDerWaalsContact O-CB 3.25Å; E1424-E1427 WeakPolarHBondContact O-CB 3.35Å; E1424-E1427 PolarHBondContact O-N 3.42Å |
| 1425 | K | 74 | Confident | 70 | Confident | 97 Ų | 97 | 58.7 Ų | 58.7 | 42% | 0.422 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -67.9 | -29.2 | 176.1 | -63 | 168.3 | -173.9 | 173.3 | 0 | 112.7 | Q1421 E1422 L1423 E1427 | Q1421-K1425 WeakPolarHBondContact O-CE 3.49Å; E1422-K1425 WeakPolarHBondContact O-CB 3.42Å; E1422-K1425 PolarHBondContact O-N 3.19Å; E1422-K1425 IonicContact OE1-NZ 2.82Å; E1422-K1425 PolarHBondContact OE1-NZ 3.46Å; E1422-K1425 IonicContact OE2-NZ 3.81Å; E1422-K1425 PolarHBondContact OE2-NZ 2.89Å; L1423-K1425 PolarHBondContact O-N 3.03Å; K1425-E1427 VanDerWaalsContact C-N 3.28Å; K1425-E1427 PolarHBondContact O-N 2.91Å |
| 1426 | Y | 78.2 | Confident | 72.3 | Confident | 32 Ų | 32 | 53.1 Ų | 53.1 | 13% | 0.125 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -85.5 | 2.6 | 179.6 | -56 | -86.1 | 0 | 0 | 0 | 112.4 | E1422 L1423 E1424 S1428 L1429 D1432 V1433 C1436 | E1422-Y1426 WeakPolarHBondContact O-CD2 3.4Å; E1422-Y1426 VanDerWaalsContact O-CE2 3.29Å; E1422-Y1426 WeakPolarHBondContact O-CE2 3.23Å; L1423-Y1426 PolarHBondContact O-N 3.25Å; L1423-Y1426 VanDerWaalsContact O-N 3.12Å; E1424-Y1426 VanDerWaalsContact C-N 3.27Å; E1424-Y1426 PolarHBondContact O-N 3.45Å; Y1426-S1428 PolarHBondContact O-N 3.22Å; Y1426-S1428 VanDerWaalsContact O-N 3.1Å; Y1426-L1429 CarbonylContact O-C 3.57Å; Y1426-L1429 PolarHBondContact O-N 2.9Å; Y1426-D1432 HydrophobicContact CD1-CB 3.86Å; Y1426-D1432 HydrophobicContact CE1-CB 3.91Å; Y1426-D1432 WeakPolarHBondContact CE1-O 3.4Å; Y1426-V1433 HydrophobicContact CD2-CG2 4.39Å; Y1426-V1433 HydrophobicContact CG-CB 4.19Å; Y1426-V1433 HydrophobicContact CG-CG2 4.19Å; Y1426-C1436 HydrophobicContact CD2-CB 4.34Å; Y1426-C1436 HydrophobicContact CE2-CB 3.78Å |
| 1427 | E | 73.9 | Confident | 74.6 | Confident | 112 Ų | 112 | 47 Ų | 47 | 52% | 0.523 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -55.9 | -28.4 | 177.2 | -172.7 | 169 | -163.7 | 0 | 0 | 112.5 | L1337 E1424 K1425 | L1337-E1427 HydrophobicContact CD1-CB 3.74Å; L1337-E1427 HydrophobicContact CD1-CG 3.69Å; E1424-E1427 VanDerWaalsContact O-CB 3.25Å; E1424-E1427 WeakPolarHBondContact O-CB 3.35Å; E1424-E1427 PolarHBondContact O-N 3.42Å; K1425-E1427 VanDerWaalsContact C-N 3.28Å; K1425-E1427 PolarHBondContact O-N 2.91Å |
| 1428 | S | 67.9 | Low | 75.9 | Confident | 102 Ų | 102 | 43.9 Ų | 43.9 | 71% | 0.713 | 22% | 0.224 | S | C | * | . | G | 310 helix | trans | -101.5 | -2.7 | 175.7 | 62.5 | 0 | 0 | 0 | 0 | 115 | Y1426 | Y1426-S1428 PolarHBondContact O-N 3.22Å; Y1426-S1428 VanDerWaalsContact O-N 3.1Å |
| 1429 | L | 69.5 | Low | 76.2 | Confident | 88 Ų | 88 | 46.9 Ų | 46.9 | 46% | 0.461 | 24% | 0.243 | S | C | . | . | trans | -141.5 | 64.6 | -173.6 | -79.7 | 157 | 0 | 0 | 0 | 109.8 | Y1426 E1431 D1432 | Y1426-L1429 CarbonylContact O-C 3.57Å; Y1426-L1429 PolarHBondContact O-N 2.9Å; L1429-E1431 PolarHBondContact O-N 2.67Å; L1429-D1432 PolarHBondContact O-N 3.33Å; L1429-D1432 VanDerWaalsContact O-N 3.16Å | ||
| 1430 | P | 72.6 | Confident | 76.1 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.058 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -64.9 | -24.9 | -174.8 | 26.3 | -34.1 | 0 | 0 | 0 | 113.1 | K1329 M1333 D1432 V1433 L1522 | K1329-P1430 HydrophobicContact CB-CB 4.5Å; K1329-P1430 HydrophobicContact CB-CG 4.15Å; K1329-P1430 HydrophobicContact CD-CG 4.35Å; M1333-P1430 HydrophobicContact CB-CB 4.34Å; M1333-P1430 HydrophobicContact CG-CB 4.45Å; P1430-D1432 VanDerWaalsContact C-N 3.27Å; P1430-D1432 PolarHBondContact O-N 2.8Å; P1430-V1433 WeakPolarHBondContact O-CG1 3.49Å; P1430-L1522 HydrophobicContact CB-CD1 4.25Å; P1430-L1522 HydrophobicContact CB-CD2 4.48Å; P1430-L1522 WeakPolarHBondContact O-CD2 3.43Å |
| 1431 | E | 70 | Confident | 76.1 | Confident | 54 Ų | 54 | 49.3 Ų | 49.3 | 25% | 0.252 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -57.1 | -37 | 172.8 | -72.2 | 74.7 | -169.5 | 0 | 0 | 112.9 | K1329 L1429 G1531 I1533 | K1329-E1431 IonicContact NZ-OE1 2.77Å; K1329-E1431 PolarHBondContact NZ-OE1 3.43Å; L1429-E1431 PolarHBondContact O-N 2.67Å; E1431-G1531 WeakPolarHBondContact O-CA 3.33Å; E1431-I1533 WeakPolarHBondContact O-CD1 3.39Å; E1431-I1533 VanDerWaalsContact O-CG1 3.31Å; E1431-I1533 WeakPolarHBondContact O-CG1 3.28Å |
| 1432 | D | 76 | Confident | 76.2 | Confident | 73 Ų | 73 | 53 Ų | 53 | 39% | 0.39 | 28% | 0.275 | S | S | . | . | G | 310 helix | trans | -93 | -4.2 | -171.7 | -67.2 | -38.3 | 0 | 0 | 0 | 113.5 | Y1426 L1429 P1430 G1434 H1435 | Y1426-D1432 HydrophobicContact CD1-CB 3.86Å; Y1426-D1432 HydrophobicContact CE1-CB 3.91Å; Y1426-D1432 WeakPolarHBondContact CE1-O 3.4Å; L1429-D1432 PolarHBondContact O-N 3.33Å; L1429-D1432 VanDerWaalsContact O-N 3.16Å; P1430-D1432 VanDerWaalsContact C-N 3.27Å; P1430-D1432 PolarHBondContact O-N 2.8Å; D1432-G1434 PolarHBondContact O-N 3Å; D1432-H1435 VanDerWaalsContact O-CB 3.28Å; D1432-H1435 WeakPolarHBondContact O-CB 3.34Å; D1432-H1435 PolarHBondContact O-N 3Å |
| 1433 | V | 81.7 | Confident | 76.5 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -25.4 | -173 | 76.7 | 0 | 0 | 0 | 0 | 113.8 | M1333 L1336 L1423 Y1426 P1430 H1435 C1436 F1437 L1519 L1522 I1533 | M1333-V1433 HydrophobicContact CE-CG2 3.84Å; M1333-V1433 HydrophobicContact SD-CB 4.42Å; M1333-V1433 HydrophobicContact SD-CG2 4.06Å; L1336-V1433 HydrophobicContact CD2-CG2 4.15Å; L1423-V1433 HydrophobicContact CD1-CG2 3.73Å; Y1426-V1433 HydrophobicContact CD2-CG2 4.39Å; Y1426-V1433 HydrophobicContact CG-CB 4.19Å; Y1426-V1433 HydrophobicContact CG-CG2 4.19Å; P1430-V1433 WeakPolarHBondContact O-CG1 3.49Å; V1433-H1435 PolarHBondContact O-N 3.34Å; V1433-C1436 VanDerWaalsContact O-CB 3.26Å; V1433-C1436 WeakPolarHBondContact O-CB 3.3Å; V1433-C1436 PolarHBondContact O-N 3.08Å; V1433-C1436 VanDerWaalsContact O-N 3.12Å; V1433-F1437 HydrophobicContact CG2-CE2 4.42Å; V1433-F1437 WeakPolarHBondContact O-CD2 3.42Å; V1433-L1519 HydrophobicContact CG1-CD2 4.13Å; V1433-L1522 HydrophobicContact CG1-CD2 3.6Å; V1433-I1533 HydrophobicContact CG1-CG1 4.46Å |
| 1434 | G | 79.4 | Confident | 77 | Confident | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.5 | -32.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | D1432 C1436 F1437 V1438 E1532 | D1432-G1434 PolarHBondContact O-N 3Å; G1434-C1436 PolarHBondContact O-N 3.27Å; G1434-F1437 PolarHBondContact O-N 3.39Å; G1434-V1438 PolarHBondContact O-N 2.75Å; G1434-E1532 WeakPolarHBondContact CA-O 3.35Å |
| 1435 | H | 75 | Confident | 77.3 | Confident | 79 Ų | 79 | 57.5 Ų | 57.5 | 37% | 0.366 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.8 | -29.5 | 178.1 | -173.3 | 59.2 | 0 | 0 | 0 | 112.5 | D1432 V1433 T1439 E1532 | D1432-H1435 VanDerWaalsContact O-CB 3.28Å; D1432-H1435 WeakPolarHBondContact O-CB 3.34Å; D1432-H1435 PolarHBondContact O-N 3Å; V1433-H1435 PolarHBondContact O-N 3.34Å; H1435-T1439 WeakPolarHBondContact O-CB 3.5Å; H1435-T1439 PolarHBondContact O-N 2.94Å; H1435-T1439 PolarHBondContact O-OG1 3.39Å; H1435-E1532 WeakPolarHBondContact CA-OE2 3.48Å; H1435-E1532 HydrophobicContact CB-CB 4.41Å; H1435-E1532 IonicContact CE1-OE2 3.2Å; H1435-E1532 IonicContact CG-OE2 2.95Å; H1435-E1532 VanDerWaalsContact ND1-CD 3.3Å; H1435-E1532 IonicContact ND1-OE1 2.67Å; H1435-E1532 PolarHBondContact ND1-OE1 3.01Å; H1435-E1532 IonicContact ND1-OE2 2.67Å; H1435-E1532 PolarHBondContact ND1-OE2 3.34Å |
| 1436 | C | 80 | Confident | 77.8 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.2 | -44.4 | 173 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | L1423 Y1426 V1433 G1434 T1439 W1440 | L1423-C1436 HydrophobicContact CD1-CB 4.3Å; Y1426-C1436 HydrophobicContact CD2-CB 4.34Å; Y1426-C1436 HydrophobicContact CE2-CB 3.78Å; V1433-C1436 VanDerWaalsContact O-CB 3.26Å; V1433-C1436 WeakPolarHBondContact O-CB 3.3Å; V1433-C1436 PolarHBondContact O-N 3.08Å; V1433-C1436 VanDerWaalsContact O-N 3.12Å; G1434-C1436 PolarHBondContact O-N 3.27Å; C1436-T1439 PolarHBondContact O-N 2.79Å; C1436-W1440 PolarHBondContact O-N 3.25Å; C1436-W1440 VanDerWaalsContact O-N 3.07Å |
| 1437 | F | 85.8 | Confident | 78.3 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -69.9 | -36.8 | 179.6 | -66.9 | -85.5 | 0 | 0 | 0 | 112.6 | F1419 L1423 V1433 G1434 A1441 F1444 Y1515 L1519 M1540 | F1419-F1437 HydrophobicContact CZ-CD1 4.28Å; F1419-F1437 AromaticContact CZ-CE1 3.87Å; F1419-F1437 HydrophobicContact CZ-CE1 3.87Å; F1419-F1437 HydrophobicContact CZ-CZ 4.15Å; L1423-F1437 HydrophobicContact CD1-CE2 4.08Å; L1423-F1437 HydrophobicContact CD1-CZ 4.26Å; V1433-F1437 HydrophobicContact CG2-CE2 4.42Å; V1433-F1437 WeakPolarHBondContact O-CD2 3.42Å; G1434-F1437 PolarHBondContact O-N 3.39Å; F1437-A1441 PolarHBondContact O-N 2.86Å; F1437-F1444 HydrophobicContact CD1-CE2 4.33Å; F1437-F1444 AromaticContact CD1-CZ 3.96Å; F1437-F1444 HydrophobicContact CD1-CZ 3.96Å; F1437-F1444 HydrophobicContact CE1-CZ 4.31Å; F1437-Y1515 AromaticContact CE1-CD1 3.65Å; F1437-Y1515 HydrophobicContact CE1-CD1 3.65Å; F1437-Y1515 HydrophobicContact CE1-CD2 4.09Å; F1437-Y1515 AromaticContact CE1-CE1 3.86Å; F1437-Y1515 HydrophobicContact CE1-CE1 3.86Å; F1437-Y1515 HydrophobicContact CE1-CE2 4.31Å; F1437-Y1515 AromaticContact CE1-CG 3.77Å; F1437-Y1515 HydrophobicContact CE1-CG 3.77Å; F1437-Y1515 AromaticContact CZ-CD1 3.68Å; F1437-Y1515 HydrophobicContact CZ-CD1 3.68Å; F1437-Y1515 AromaticContact CZ-CE1 3.92Å; F1437-Y1515 HydrophobicContact CZ-CE1 3.92Å; F1437-Y1515 HydrophobicContact CZ-CG 4.22Å; F1437-L1519 HydrophobicContact CD1-CD1 4.41Å; F1437-L1519 HydrophobicContact CD2-CD1 3.97Å; F1437-L1519 HydrophobicContact CD2-CD2 4.09Å; F1437-L1519 HydrophobicContact CE1-CD1 4.47Å; F1437-L1519 HydrophobicContact CE2-CD1 4.05Å; F1437-L1519 HydrophobicContact CE2-CD2 3.9Å; F1437-L1519 HydrophobicContact CE2-CG 4.32Å; F1437-L1519 HydrophobicContact CG-CD1 4.16Å; F1437-L1519 HydrophobicContact CZ-CD1 4.3Å; F1437-M1540 HydrophobicContact CD1-CE 3.95Å; F1437-M1540 HydrophobicContact CD1-CG 3.68Å; F1437-M1540 HydrophobicContact CD1-SD 3.67Å; F1437-M1540 HydrophobicContact CE1-CG 4.15Å; F1437-M1540 HydrophobicContact CE1-SD 3.97Å; F1437-M1540 HydrophobicContact CG-CG 4.32Å |
| 1438 | V | 81.3 | Confident | 78.7 | Confident | 53 Ų | 53 | 47 Ų | 47 | 32% | 0.321 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -65 | -48.6 | 172.7 | 178.7 | 0 | 0 | 0 | 0 | 110.9 | G1434 W1440 A1441 E1532 D1535 | G1434-V1438 PolarHBondContact O-N 2.75Å; V1438-W1440 VanDerWaalsContact C-N 3.31Å; V1438-W1440 PolarHBondContact O-N 3.02Å; V1438-A1441 VanDerWaalsContact O-CB 3.24Å; V1438-A1441 WeakPolarHBondContact O-CB 3.29Å; V1438-A1441 PolarHBondContact O-N 2.85Å; V1438-E1532 HydrophobicContact CG2-CB 4.48Å; V1438-D1535 HydrophobicContact CG2-CB 3.82Å |
| 1439 | T | 74.2 | Confident | 79.3 | Confident | 89 Ų | 89 | 44.8 Ų | 44.8 | 55% | 0.546 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -35.9 | -178.9 | -62.5 | 0 | 0 | 0 | 0 | 113 | H1435 C1436 | H1435-T1439 WeakPolarHBondContact O-CB 3.5Å; H1435-T1439 PolarHBondContact O-N 2.94Å; H1435-T1439 PolarHBondContact O-OG1 3.39Å; C1436-T1439 PolarHBondContact O-N 2.79Å |
| 1440 | W | 78.3 | Confident | 80.2 | Confident | 42 Ų | 42 | 40.6 Ų | 40.6 | 16% | 0.159 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 7.2 | -179.4 | -69.2 | 108.2 | 0 | 0 | 0 | 114.3 | F1385 R1417 F1419 C1436 V1438 E1442 K1443 F1444 | F1385-W1440 HydrophobicContact CE2-CD2 4.02Å; F1385-W1440 AromaticContact CE2-CE3 3.72Å; F1385-W1440 HydrophobicContact CE2-CE3 3.72Å; F1385-W1440 HydrophobicContact CE2-CG 4.4Å; F1385-W1440 HydrophobicContact CE2-CZ3 4.19Å; F1385-W1440 HydrophobicContact CZ-CB 4.31Å; R1417-W1440 HydrophobicContact CB-CZ2 4.12Å; R1417-W1440 VanDerWaalsContact O-CH2 3.26Å; R1417-W1440 WeakPolarHBondContact O-CH2 3.5Å; R1417-W1440 WeakPolarHBondContact O-CZ2 3.34Å; F1419-W1440 HydrophobicContact CD2-CB 4.21Å; F1419-W1440 AromaticContact CD2-CD1 3.51Å; F1419-W1440 HydrophobicContact CD2-CD2 4.37Å; F1419-W1440 AromaticContact CD2-CG 3.81Å; F1419-W1440 HydrophobicContact CD2-CG 3.81Å; F1419-W1440 AromaticContact CD2-NE1 3.88Å; F1419-W1440 HydrophobicContact CE2-CB 4.2Å; F1419-W1440 AromaticContact CE2-CD1 3.76Å; F1419-W1440 HydrophobicContact CE2-CG 4.13Å; C1436-W1440 PolarHBondContact O-N 3.25Å; C1436-W1440 VanDerWaalsContact O-N 3.07Å; V1438-W1440 VanDerWaalsContact C-N 3.31Å; V1438-W1440 PolarHBondContact O-N 3.02Å; W1440-E1442 PolarHBondContact O-N 3.5Å; W1440-K1443 HydrophobicContact CE3-CD 3.84Å; W1440-K1443 HydrophobicContact CE3-CG 4.15Å; W1440-K1443 HydrophobicContact CZ3-CD 3.77Å; W1440-K1443 PolarHBondContact O-N 3.44Å; W1440-F1444 HydrophobicContact CB-CD2 4.49Å; W1440-F1444 HydrophobicContact CB-CE2 3.89Å; W1440-F1444 VanDerWaalsContact O-CD2 3.29Å; W1440-F1444 WeakPolarHBondContact O-CD2 3.29Å |
| 1441 | A | 79.3 | Confident | 80.8 | Confident | 32 Ų | 32 | 41.3 Ų | 41.3 | 26% | 0.264 | 22% | 0.216 | S | C | . | . | G | 310 helix | trans | -48.6 | -47.7 | -170.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | F1437 V1438 K1443 F1444 V1539 | F1437-A1441 PolarHBondContact O-N 2.86Å; V1438-A1441 VanDerWaalsContact O-CB 3.24Å; V1438-A1441 WeakPolarHBondContact O-CB 3.29Å; V1438-A1441 PolarHBondContact O-N 2.85Å; A1441-K1443 VanDerWaalsContact C-N 3.31Å; A1441-K1443 PolarHBondContact O-N 3.45Å; A1441-F1444 PolarHBondContact O-N 3.15Å; A1441-V1539 HydrophobicContact CB-CG1 3.67Å; A1441-V1539 HydrophobicContact CB-CG2 4.21Å |
| 1442 | E | 75 | Confident | 81.3 | Confident | 177 Ų | 177 | 42 Ų | 42 | 83% | 0.827 | 22% | 0.216 | S | C | * | . | G | 310 helix | trans | -61.3 | -36.8 | 180 | -67.7 | -170.6 | 153.1 | 0 | 0 | 113 | W1440 F1444 Q1445 | W1440-E1442 PolarHBondContact O-N 3.5Å; E1442-F1444 PolarHBondContact O-N 3.38Å; E1442-Q1445 WeakPolarHBondContact O-CB 3.42Å; E1442-Q1445 VanDerWaalsContact O-CG 3.29Å; E1442-Q1445 WeakPolarHBondContact O-CG 3.29Å; E1442-Q1445 PolarHBondContact O-N 2.97Å |
| 1443 | K | 80.8 | Confident | 81.5 | Confident | 87 Ų | 87 | 43.6 Ų | 43.6 | 38% | 0.378 | 22% | 0.218 | S | C | . | . | G | 310 helix | trans | -66.9 | -27.9 | -178.2 | -71.3 | -147.9 | 177.3 | -175 | 0 | 112.1 | F1385 W1440 A1441 Q1445 M1446 | F1385-K1443 HydrophobicContact CD2-CB 4.34Å; F1385-K1443 HydrophobicContact CD2-CD 3.89Å; F1385-K1443 HydrophobicContact CE2-CB 3.93Å; F1385-K1443 HydrophobicContact CE2-CD 3.97Å; F1385-K1443 HydrophobicContact CZ-CB 4.38Å; W1440-K1443 HydrophobicContact CE3-CD 3.84Å; W1440-K1443 HydrophobicContact CE3-CG 4.15Å; W1440-K1443 HydrophobicContact CZ3-CD 3.77Å; W1440-K1443 PolarHBondContact O-N 3.44Å; A1441-K1443 VanDerWaalsContact C-N 3.31Å; A1441-K1443 PolarHBondContact O-N 3.45Å; K1443-Q1445 PolarHBondContact O-N 2.96Å; K1443-M1446 HydrophobicContact CB-CE 3.83Å; K1443-M1446 WeakPolarHBondContact O-CE 3.46Å; K1443-M1446 VanDerWaalsContact O-CG 3.32Å; K1443-M1446 WeakPolarHBondContact O-CG 3.45Å; K1443-M1446 PolarHBondContact O-N 3.43Å; K1443-M1446 VanDerWaalsContact O-N 3.1Å |
| 1444 | F | 88.3 | Confident | 81.6 | Confident | 2 Ų | 2 | 44.2 Ų | 44.2 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -64 | -8.8 | 177 | -69.1 | -81.2 | 0 | 0 | 0 | 114.3 | F1385 F1419 F1437 W1440 A1441 E1442 M1446 Y1447 Y1515 M1540 V1543 | F1385-F1444 HydrophobicContact CE1-CE1 4.18Å; F1385-F1444 HydrophobicContact CE1-CZ 4.37Å; F1385-F1444 HydrophobicContact CZ-CE1 4.49Å; F1385-F1444 HydrophobicContact CZ-CZ 4.27Å; F1419-F1444 HydrophobicContact CE2-CE2 4.31Å; F1419-F1444 AromaticContact CE2-CZ 3.79Å; F1419-F1444 HydrophobicContact CE2-CZ 3.79Å; F1419-F1444 AromaticContact CZ-CZ 3.9Å; F1419-F1444 HydrophobicContact CZ-CZ 3.9Å; F1437-F1444 HydrophobicContact CD1-CE2 4.33Å; F1437-F1444 AromaticContact CD1-CZ 3.96Å; F1437-F1444 HydrophobicContact CD1-CZ 3.96Å; F1437-F1444 HydrophobicContact CE1-CZ 4.31Å; W1440-F1444 HydrophobicContact CB-CD2 4.49Å; W1440-F1444 HydrophobicContact CB-CE2 3.89Å; W1440-F1444 VanDerWaalsContact O-CD2 3.29Å; W1440-F1444 WeakPolarHBondContact O-CD2 3.29Å; A1441-F1444 PolarHBondContact O-N 3.15Å; E1442-F1444 PolarHBondContact O-N 3.38Å; F1444-M1446 PolarHBondContact O-N 3.04Å; F1444-M1446 VanDerWaalsContact O-N 3.13Å; F1444-Y1447 AromaticContact CD1-CD2 3.79Å; F1444-Y1447 HydrophobicContact CD1-CD2 3.79Å; F1444-Y1447 AromaticContact CD1-CE2 3.86Å; F1444-Y1447 HydrophobicContact CD1-CE2 3.86Å; F1444-Y1447 HydrophobicContact CE1-CE2 4.23Å; F1444-Y1447 WeakPolarHBondContact O-CB 3.24Å; F1444-Y1447 PolarHBondContact O-N 3.13Å; F1444-Y1515 HydrophobicContact CE1-CE2 4.1Å; F1444-M1540 HydrophobicContact CB-CE 4.35Å; F1444-M1540 HydrophobicContact CD1-CE 3.73Å; F1444-M1540 HydrophobicContact CD1-SD 4.46Å; F1444-M1540 HydrophobicContact CD2-CE 3.58Å; F1444-M1540 HydrophobicContact CE1-CE 3.8Å; F1444-M1540 HydrophobicContact CE1-SD 4.19Å; F1444-M1540 HydrophobicContact CE2-CE 3.64Å; F1444-M1540 HydrophobicContact CG-CE 3.63Å; F1444-M1540 HydrophobicContact CZ-CE 3.75Å; F1444-M1540 HydrophobicContact CZ-SD 4.36Å; F1444-V1543 HydrophobicContact CB-CG2 3.86Å |
| 1445 | Q | 81.5 | Confident | 81.5 | Confident | 80 Ų | 80 | 46.6 Ų | 46.6 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -55.8 | -25.6 | 167.4 | -65.9 | -58.1 | -21.1 | 0 | 0 | 113.2 | E1442 K1443 Y1447 V1448 S1449 | E1442-Q1445 WeakPolarHBondContact O-CB 3.42Å; E1442-Q1445 VanDerWaalsContact O-CG 3.29Å; E1442-Q1445 WeakPolarHBondContact O-CG 3.29Å; E1442-Q1445 PolarHBondContact O-N 2.97Å; K1443-Q1445 PolarHBondContact O-N 2.96Å; Q1445-Y1447 PolarHBondContact O-N 3.29Å; Q1445-V1448 WeakPolarHBondContact O-CB 3.08Å; Q1445-V1448 PolarHBondContact O-N 3.23Å; Q1445-S1449 PolarHBondContact O-N 2.98Å |
| 1446 | M | 84.6 | Confident | 81.7 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 8% | 0.079 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -56.3 | -32.6 | 172.3 | 74.2 | -179.1 | 84 | 0 | 0 | 112.8 | N1378 I1382 F1385 K1443 F1444 Y1450 | N1378-M1446 PolarHBondContact ND2-O 3.1Å; I1382-M1446 HydrophobicContact CB-SD 4.21Å; I1382-M1446 HydrophobicContact CG1-CB 4.46Å; I1382-M1446 HydrophobicContact CG1-CG 3.86Å; I1382-M1446 HydrophobicContact CG1-SD 3.71Å; F1385-M1446 HydrophobicContact CB-CE 3.67Å; F1385-M1446 HydrophobicContact CB-SD 3.94Å; F1385-M1446 HydrophobicContact CD1-CE 3.67Å; F1385-M1446 HydrophobicContact CD1-SD 3.96Å; F1385-M1446 HydrophobicContact CD2-CE 3.85Å; F1385-M1446 HydrophobicContact CE1-CE 4.23Å; F1385-M1446 HydrophobicContact CE2-CE 4.4Å; F1385-M1446 HydrophobicContact CG-CE 3.45Å; F1385-M1446 VanDerWaalsContact CG-CE 3.45Å; F1385-M1446 HydrophobicContact CG-SD 4.08Å; K1443-M1446 HydrophobicContact CB-CE 3.83Å; K1443-M1446 WeakPolarHBondContact O-CE 3.46Å; K1443-M1446 VanDerWaalsContact O-CG 3.32Å; K1443-M1446 WeakPolarHBondContact O-CG 3.45Å; K1443-M1446 PolarHBondContact O-N 3.43Å; K1443-M1446 VanDerWaalsContact O-N 3.1Å; F1444-M1446 PolarHBondContact O-N 3.04Å; F1444-M1446 VanDerWaalsContact O-N 3.13Å; M1446-Y1450 PolarHBondContact O-N 3.38Å; M1446-Y1450 VanDerWaalsContact O-N 3.09Å |
| 1447 | Y | 88.7 | Confident | 81.9 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -77 | -30.1 | 177.2 | -78 | -85.2 | 0 | 0 | 0 | 112.9 | Y1343 I1382 H1386 F1444 Q1445 Y1450 C1451 P1508 I1512 | Y1343-Y1447 WeakPolarHBondContact CE1-OH 3.37Å; Y1343-Y1447 WeakPolarHBondContact OH-CE1 3.19Å; Y1343-Y1447 PolarHBondContact OH-OH 2.83Å; I1382-Y1447 HydrophobicContact CD1-CD1 4.29Å; I1382-Y1447 HydrophobicContact CD1-CE1 4.35Å; I1382-Y1447 HydrophobicContact CG2-CE1 4.01Å; I1382-Y1447 HydrophobicContact CG2-CE2 4.22Å; I1382-Y1447 WeakPolarHBondContact CG2-OH 3.44Å; H1386-Y1447 AromaticContact NE2-CZ 3.87Å; H1386-Y1447 PolarHBondContact NE2-OH 3.02Å; F1444-Y1447 AromaticContact CD1-CD2 3.79Å; F1444-Y1447 HydrophobicContact CD1-CD2 3.79Å; F1444-Y1447 AromaticContact CD1-CE2 3.86Å; F1444-Y1447 HydrophobicContact CD1-CE2 3.86Å; F1444-Y1447 HydrophobicContact CE1-CE2 4.23Å; F1444-Y1447 WeakPolarHBondContact O-CB 3.24Å; F1444-Y1447 PolarHBondContact O-N 3.13Å; Q1445-Y1447 PolarHBondContact O-N 3.29Å; Y1447-Y1450 PolarHBondContact O-N 3.23Å; Y1447-C1451 PolarHBondContact O-N 2.77Å; Y1447-C1451 PolarHBondContact O-SG 3.09Å; Y1447-P1508 HydrophobicContact CD1-CB 4.05Å; Y1447-P1508 HydrophobicContact CE1-CB 3.77Å; Y1447-P1508 WeakPolarHBondContact CE1-O 3.26Å; Y1447-I1512 HydrophobicContact CD1-CD1 3.7Å; Y1447-I1512 HydrophobicContact CD1-CG1 3.6Å; Y1447-I1512 HydrophobicContact CE1-CG1 4.1Å; Y1447-I1512 HydrophobicContact CG-CD1 4.05Å; Y1447-I1512 HydrophobicContact CG-CG1 3.95Å |
| 1448 | V | 83.7 | Confident | 81.7 | Confident | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 174.4 | -178.1 | 0 | 0 | 0 | 0 | 109.4 | Q1445 Y1450 C1451 R1452 V1543 K1546 A1547 I1550 | Q1445-V1448 WeakPolarHBondContact O-CB 3.08Å; Q1445-V1448 PolarHBondContact O-N 3.23Å; V1448-Y1450 PolarHBondContact O-N 3.18Å; V1448-C1451 PolarHBondContact O-N 3.47Å; V1448-R1452 PolarHBondContact O-N 2.67Å; V1448-V1543 HydrophobicContact CG2-CG1 3.98Å; V1448-K1546 HydrophobicContact CG1-CB 4.1Å; V1448-K1546 HydrophobicContact CG2-CB 4.25Å; V1448-A1547 HydrophobicContact CG1-CB 4.38Å; V1448-I1550 HydrophobicContact CG1-CD1 3.64Å |
| 1449 | S | 80 | Confident | 81.6 | Confident | 55 Ų | 55 | 50.9 Ų | 50.9 | 39% | 0.385 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 172 | -61.8 | 0 | 0 | 0 | 0 | 112.8 | Q1445 C1451 R1452 Y1453 | Q1445-S1449 PolarHBondContact O-N 2.98Å; S1449-C1451 VanDerWaalsContact C-N 3.28Å; S1449-C1451 PolarHBondContact O-N 2.84Å; S1449-R1452 PolarHBondContact O-N 3.13Å; S1449-Y1453 VanDerWaalsContact O-CD2 3.25Å; S1449-Y1453 WeakPolarHBondContact O-CD2 3.43Å; S1449-Y1453 PolarHBondContact O-N 3.15Å |
| 1450 | Y | 88.2 | Confident | 81.8 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59 | -40.3 | 176 | -164.4 | -87.7 | 0 | 0 | 0 | 112 | L1377 N1378 I1379 I1382 M1446 Y1447 V1448 K1454 L1505 P1508 V1509 | L1377-Y1450 HydrophobicContact CB-CD2 3.75Å; L1377-Y1450 HydrophobicContact CB-CE2 3.63Å; L1377-Y1450 HydrophobicContact CD1-CD1 4.36Å; L1377-Y1450 HydrophobicContact CD1-CD2 4.11Å; L1377-Y1450 HydrophobicContact CD1-CE1 4.27Å; L1377-Y1450 HydrophobicContact CD1-CE2 3.99Å; L1377-Y1450 HydrophobicContact CD1-CG 4.28Å; L1377-Y1450 WeakPolarHBondContact CD1-O 3.34Å; L1377-Y1450 HydrophobicContact CG-CE2 4.28Å; N1378-Y1450 WeakPolarHBondContact OD1-CD2 3.43Å; I1379-Y1450 HydrophobicContact CB-CE2 3.97Å; I1379-Y1450 HydrophobicContact CG1-CE2 4.46Å; I1382-Y1450 HydrophobicContact CD1-CD2 3.5Å; I1382-Y1450 VanDerWaalsContact CD1-CD2 3.5Å; I1382-Y1450 HydrophobicContact CD1-CE2 4.25Å; I1382-Y1450 HydrophobicContact CD1-CG 3.83Å; M1446-Y1450 PolarHBondContact O-N 3.38Å; M1446-Y1450 VanDerWaalsContact O-N 3.09Å; Y1447-Y1450 PolarHBondContact O-N 3.23Å; V1448-Y1450 PolarHBondContact O-N 3.18Å; Y1450-K1454 HydrophobicContact CE1-CD 3.83Å; Y1450-K1454 PolarHBondContact O-N 2.94Å; Y1450-L1505 WeakPolarHBondContact CE1-O 3.42Å; Y1450-L1505 PolarHBondContact OH-O 3.02Å; Y1450-P1508 HydrophobicContact CD1-CB 3.75Å; Y1450-P1508 HydrophobicContact CD1-CG 4.17Å; Y1450-P1508 HydrophobicContact CE1-CB 3.71Å; Y1450-P1508 HydrophobicContact CE1-CG 3.65Å; Y1450-P1508 HydrophobicContact CE2-CG 4.16Å; Y1450-P1508 HydrophobicContact CG-CB 4.25Å; Y1450-V1509 HydrophobicContact CD1-CG2 4.43Å |
| 1451 | C | 85 | Confident | 81.8 | Confident | 25 Ų | 25 | 46.1 Ų | 46.1 | 17% | 0.169 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.2 | -40.2 | 177.7 | -64.6 | 0 | 0 | 0 | 0 | 112.4 | Y1447 V1448 S1449 Y1453 K1454 A1547 | Y1447-C1451 PolarHBondContact O-N 2.77Å; Y1447-C1451 PolarHBondContact O-SG 3.09Å; V1448-C1451 PolarHBondContact O-N 3.47Å; S1449-C1451 VanDerWaalsContact C-N 3.28Å; S1449-C1451 PolarHBondContact O-N 2.84Å; C1451-Y1453 VanDerWaalsContact C-N 3.29Å; C1451-Y1453 PolarHBondContact O-N 3.05Å; C1451-K1454 PolarHBondContact O-N 3.09Å; C1451-A1547 HydrophobicContact CB-CB 3.59Å |
| 1452 | R | 80.3 | Confident | 81.7 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 25% | 0.253 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -51.7 | -45.6 | 176.7 | -177.8 | 179.1 | -178.4 | 152.9 | -5 | 111.8 | V1448 S1449 I1550 D1563 | V1448-R1452 PolarHBondContact O-N 2.67Å; S1449-R1452 PolarHBondContact O-N 3.13Å; R1452-I1550 HydrophobicContact CB-CG2 4.33Å; R1452-I1550 HydrophobicContact CG-CG2 3.85Å; R1452-D1563 IonicContact CZ-OD1 3.95Å; R1452-D1563 IonicContact NH1-OD1 3.88Å; R1452-D1563 PolarHBondContact NH1-OD1 3.46Å; R1452-D1563 IonicContact NH2-OD1 3.94Å; R1452-D1563 PolarHBondContact NH2-OD1 3.09Å; R1452-D1563 IonicContact NH2-OD2 3.95Å |
| 1453 | Y | 81.1 | Confident | 81.8 | Confident | 107 Ų | 107 | 44.2 Ų | 44.2 | 42% | 0.42 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -98.4 | -0.7 | -173.6 | -59.5 | -64.6 | 0 | 0 | 0 | 114.9 | S1449 C1451 P1455 D1456 S1457 | S1449-Y1453 VanDerWaalsContact O-CD2 3.25Å; S1449-Y1453 WeakPolarHBondContact O-CD2 3.43Å; S1449-Y1453 PolarHBondContact O-N 3.15Å; C1451-Y1453 VanDerWaalsContact C-N 3.29Å; C1451-Y1453 PolarHBondContact O-N 3.05Å; Y1453-P1455 VanDerWaalsContact C-CD 3.4Å; Y1453-P1455 VanDerWaalsContact C-N 3.35Å; Y1453-D1456 PolarHBondContact O-N 3.18Å; Y1453-D1456 VanDerWaalsContact O-N 3.12Å; Y1453-S1457 PolarHBondContact O-N 3.06Å |
| 1454 | K | 83 | Confident | 81.4 | Confident | 14 Ų | 14 | 45.3 Ų | 45.3 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -58.8 | -34.6 | 177.7 | -164.8 | 68.3 | -171.3 | 85.2 | 0 | 114.9 | L1377 Y1450 C1451 D1456 S1457 N1458 L1505 | L1377-K1454 HydrophobicContact CD1-CB 4.44Å; L1377-K1454 HydrophobicContact CD1-CD 4.16Å; Y1450-K1454 HydrophobicContact CE1-CD 3.83Å; Y1450-K1454 PolarHBondContact O-N 2.94Å; C1451-K1454 PolarHBondContact O-N 3.09Å; K1454-D1456 VanDerWaalsContact C-N 3.32Å; K1454-D1456 PolarHBondContact O-N 3.1Å; K1454-S1457 PolarHBondContact NZ-OG 3.14Å; K1454-N1458 PolarHBondContact NZ-OD1 3.05Å; K1454-N1458 VanDerWaalsContact O-CG 3.29Å; K1454-N1458 PolarHBondContact O-N 3.38Å; K1454-L1505 WeakPolarHBondContact CE-O 3.45Å |
| 1455 | P | 78.1 | Confident | 80.6 | Confident | 50 Ų | 50 | 47.3 Ų | 47.3 | 33% | 0.325 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -60.1 | -38.7 | 173.2 | -25.2 | 36.2 | 0 | 0 | 0 | 113.2 | Y1453 N1458 N1459 L1551 | Y1453-P1455 VanDerWaalsContact C-CD 3.4Å; Y1453-P1455 VanDerWaalsContact C-N 3.35Å; P1455-N1458 WeakPolarHBondContact O-CB 3.45Å; P1455-N1458 PolarHBondContact O-N 3.18Å; P1455-N1459 PolarHBondContact O-N 2.91Å; P1455-N1459 PolarHBondContact O-ND2 3.33Å; P1455-N1459 VanDerWaalsContact O-ND2 3.1Å; P1455-L1551 HydrophobicContact CG-CD1 4.09Å |
| 1456 | D | 78.9 | Confident | 80 | Confident | 72 Ų | 72 | 43.5 Ų | 43.5 | 39% | 0.385 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -74.3 | -39.6 | -178.1 | -59.6 | -43.8 | 0 | 0 | 0 | 112 | V1374 Y1453 K1454 N1458 N1459 L1460 | V1374-D1456 HydrophobicContact CG1-CB 4.19Å; Y1453-D1456 PolarHBondContact O-N 3.18Å; Y1453-D1456 VanDerWaalsContact O-N 3.12Å; K1454-D1456 VanDerWaalsContact C-N 3.32Å; K1454-D1456 PolarHBondContact O-N 3.1Å; D1456-N1458 VanDerWaalsContact C-N 3.31Å; D1456-N1458 PolarHBondContact O-N 2.97Å; D1456-N1459 PolarHBondContact O-N 3.38Å; D1456-L1460 PolarHBondContact O-N 2.88Å |
| 1457 | S | 83.9 | Confident | 79.4 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -52.5 | -47.8 | 165.9 | 167.9 | 0 | 0 | 0 | 0 | 111.2 | V1374 I1375 Y1453 K1454 L1460 V1461 | V1374-S1457 VanDerWaalsContact O-CA 3.31Å; V1374-S1457 WeakPolarHBondContact O-CA 3.48Å; V1374-S1457 WeakPolarHBondContact O-CB 3.41Å; I1375-S1457 PolarHBondContact O-OG 3.05Å; Y1453-S1457 PolarHBondContact O-N 3.06Å; K1454-S1457 PolarHBondContact NZ-OG 3.14Å; S1457-L1460 PolarHBondContact O-N 3.01Å; S1457-V1461 WeakPolarHBondContact O-CB 3.46Å; S1457-V1461 VanDerWaalsContact O-CG2 3.29Å; S1457-V1461 WeakPolarHBondContact O-CG2 3.39Å; S1457-V1461 PolarHBondContact O-N 2.62Å |
| 1458 | N | 81.3 | Confident | 78.6 | Confident | 72 Ų | 72 | 51.1 Ų | 51.1 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62 | -45.8 | 176.1 | -69.9 | -12.6 | 0 | 0 | 0 | 112.3 | K1454 P1455 D1456 L1460 V1461 T1462 | K1454-N1458 PolarHBondContact NZ-OD1 3.05Å; K1454-N1458 VanDerWaalsContact O-CG 3.29Å; K1454-N1458 PolarHBondContact O-N 3.38Å; P1455-N1458 WeakPolarHBondContact O-CB 3.45Å; P1455-N1458 PolarHBondContact O-N 3.18Å; D1456-N1458 VanDerWaalsContact C-N 3.31Å; D1456-N1458 PolarHBondContact O-N 2.97Å; N1458-L1460 PolarHBondContact O-N 3.05Å; N1458-V1461 PolarHBondContact O-N 2.88Å; N1458-T1462 WeakPolarHBondContact O-CB 3.4Å; N1458-T1462 WeakPolarHBondContact O-CG2 3.31Å; N1458-T1462 PolarHBondContact O-N 2.87Å; N1458-T1462 PolarHBondContact O-OG1 2.95Å |
| 1459 | N | 79 | Confident | 78.3 | Confident | 78 Ų | 78 | 52.1 Ų | 52.1 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -62.1 | -24.5 | -180 | -71.6 | -36.7 | 0 | 0 | 0 | 113.4 | P1455 D1456 Q1463 | P1455-N1459 PolarHBondContact O-N 2.91Å; P1455-N1459 PolarHBondContact O-ND2 3.33Å; P1455-N1459 VanDerWaalsContact O-ND2 3.1Å; D1456-N1459 PolarHBondContact O-N 3.38Å; N1459-Q1463 WeakPolarHBondContact O-CG 3.34Å; N1459-Q1463 PolarHBondContact O-NE2 3.13Å |
| 1460 | L | 79.1 | Confident | 78.1 | Confident | 18 Ų | 18 | 49.8 Ų | 49.8 | 9% | 0.094 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -87.8 | -47.2 | 173.1 | -68.4 | 176 | 0 | 0 | 0 | 112.3 | K1371 V1374 I1375 D1456 S1457 N1458 T1462 Q1463 A1466 | K1371-L1460 HydrophobicContact CB-CD1 4.07Å; K1371-L1460 HydrophobicContact CD-CD1 3.91Å; K1371-L1460 HydrophobicContact CD-CD2 3.87Å; V1374-L1460 HydrophobicContact CB-CD1 3.81Å; V1374-L1460 HydrophobicContact CG1-CD1 3.6Å; I1375-L1460 HydrophobicContact CD1-CB 4.44Å; I1375-L1460 HydrophobicContact CG1-CB 3.92Å; I1375-L1460 HydrophobicContact CG1-CD1 3.85Å; D1456-L1460 PolarHBondContact O-N 2.88Å; S1457-L1460 PolarHBondContact O-N 3.01Å; N1458-L1460 PolarHBondContact O-N 3.05Å; L1460-T1462 VanDerWaalsContact C-N 3.32Å; L1460-T1462 PolarHBondContact O-N 2.68Å; L1460-Q1463 WeakPolarHBondContact O-CB 3.35Å; L1460-Q1463 WeakPolarHBondContact O-CG 3.45Å; L1460-Q1463 PolarHBondContact O-N 2.7Å; L1460-A1466 WeakPolarHBondContact O-CB 3.43Å |
| 1461 | V | 78.1 | Confident | 77.2 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 7% | 0.073 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -63.7 | -36.7 | -176.4 | 170.9 | 0 | 0 | 0 | 0 | 112.1 | I1375 S1457 N1458 Q1463 S1467 L1501 A1502 L1505 | I1375-V1461 HydrophobicContact CG2-CG2 3.87Å; S1457-V1461 WeakPolarHBondContact O-CB 3.46Å; S1457-V1461 VanDerWaalsContact O-CG2 3.29Å; S1457-V1461 WeakPolarHBondContact O-CG2 3.39Å; S1457-V1461 PolarHBondContact O-N 2.62Å; N1458-V1461 PolarHBondContact O-N 2.88Å; V1461-Q1463 PolarHBondContact O-N 3.43Å; V1461-S1467 PolarHBondContact O-N 3.36Å; V1461-S1467 PolarHBondContact O-OG 2.86Å; V1461-L1501 HydrophobicContact CG2-CD2 4.31Å; V1461-A1502 HydrophobicContact CG1-CB 4.47Å; V1461-L1505 HydrophobicContact CG2-CD1 4.05Å |
| 1462 | T | 76.7 | Confident | 76.3 | Confident | 101 Ų | 101 | 56.7 Ų | 56.7 | 62% | 0.62 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.6 | -4.3 | 179.2 | 54.4 | 0 | 0 | 0 | 0 | 114.7 | N1458 L1460 | N1458-T1462 WeakPolarHBondContact O-CB 3.4Å; N1458-T1462 WeakPolarHBondContact O-CG2 3.31Å; N1458-T1462 PolarHBondContact O-N 2.87Å; N1458-T1462 PolarHBondContact O-OG1 2.95Å; L1460-T1462 VanDerWaalsContact C-N 3.32Å; L1460-T1462 PolarHBondContact O-N 2.68Å |
| 1463 | Q | 77.2 | Confident | 75.4 | Confident | 68 Ų | 68 | 56 Ų | 56 | 32% | 0.318 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -68.4 | 135.5 | 174.4 | -61.4 | -173.2 | 8.6 | 0 | 0 | 109.9 | N1459 L1460 V1461 A1465 A1466 S1467 | N1459-Q1463 WeakPolarHBondContact O-CG 3.34Å; N1459-Q1463 PolarHBondContact O-NE2 3.13Å; L1460-Q1463 WeakPolarHBondContact O-CB 3.35Å; L1460-Q1463 WeakPolarHBondContact O-CG 3.45Å; L1460-Q1463 PolarHBondContact O-N 2.7Å; V1461-Q1463 PolarHBondContact O-N 3.43Å; Q1463-A1465 VanDerWaalsContact C-N 3.29Å; Q1463-A1465 PolarHBondContact O-N 3.41Å; Q1463-A1466 HydrophobicContact CB-CB 4.1Å; Q1463-A1466 WeakPolarHBondContact O-CA 3.48Å; Q1463-A1466 WeakPolarHBondContact O-CB 3.36Å; Q1463-A1466 PolarHBondContact O-N 2.81Å; Q1463-S1467 PolarHBondContact O-N 3.03Å |
| 1464 | P | 73.7 | Confident | 74.2 | Confident | 111 Ų | 111 | 52.6 Ų | 52.6 | 72% | 0.721 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -52.9 | -43.6 | -176.3 | -30.1 | 35.6 | 0 | 0 | 0 | 113.7 | A1466 Q1468 | P1464-A1466 VanDerWaalsContact C-N 3.31Å; P1464-A1466 PolarHBondContact O-N 3.35Å; P1464-Q1468 WeakPolarHBondContact O-CB 3.44Å; P1464-Q1468 PolarHBondContact O-N 3.25Å |
| 1465 | A | 70.1 | Confident | 72.9 | Confident | 44 Ų | 44 | 56.9 Ų | 56.9 | 36% | 0.364 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -68.2 | -25.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114 | Q1463 F1469 | Q1463-A1465 VanDerWaalsContact C-N 3.29Å; Q1463-A1465 PolarHBondContact O-N 3.41Å; A1465-F1469 VanDerWaalsContact O-CB 3.3Å; A1465-F1469 WeakPolarHBondContact O-CB 3.25Å; A1465-F1469 PolarHBondContact O-N 2.87Å |
| 1466 | A | 70.2 | Confident | 71.8 | Confident | 0 Ų | 0 | 58.8 Ų | 58.8 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -81.4 | -50.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | I1368 L1460 Q1463 P1464 Q1468 F1469 F1470 | I1368-A1466 HydrophobicContact CD1-CB 4.27Å; I1368-A1466 HydrophobicContact CG2-CB 3.7Å; L1460-A1466 WeakPolarHBondContact O-CB 3.43Å; Q1463-A1466 HydrophobicContact CB-CB 4.1Å; Q1463-A1466 WeakPolarHBondContact O-CA 3.48Å; Q1463-A1466 WeakPolarHBondContact O-CB 3.36Å; Q1463-A1466 PolarHBondContact O-N 2.81Å; P1464-A1466 VanDerWaalsContact C-N 3.31Å; P1464-A1466 PolarHBondContact O-N 3.35Å; A1466-Q1468 PolarHBondContact O-N 3.47Å; A1466-F1469 PolarHBondContact O-N 3.45Å; A1466-F1470 WeakPolarHBondContact O-CD2 3.49Å; A1466-F1470 PolarHBondContact O-N 2.94Å |
| 1467 | S | 70.2 | Confident | 70.6 | Confident | 43 Ų | 43 | 56.9 Ų | 56.9 | 30% | 0.301 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -54.3 | -52.3 | 172.6 | -69.3 | 0 | 0 | 0 | 0 | 110.6 | V1461 Q1463 F1469 F1470 D1471 | V1461-S1467 PolarHBondContact O-N 3.36Å; V1461-S1467 PolarHBondContact O-OG 2.86Å; Q1463-S1467 PolarHBondContact O-N 3.03Å; S1467-F1469 VanDerWaalsContact C-N 3.3Å; S1467-F1469 PolarHBondContact O-N 3.16Å; S1467-F1470 PolarHBondContact O-N 3.25Å; S1467-F1470 VanDerWaalsContact O-N 3.1Å; S1467-D1471 VanDerWaalsContact O-CG 3.3Å; S1467-D1471 PolarHBondContact O-N 3.37Å |
| 1468 | Q | 73 | Confident | 69 | Low | 133 Ų | 133 | 58.1 Ų | 58.1 | 62% | 0.621 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61 | -34.8 | 178.6 | -170.1 | 176.1 | 51.1 | 0 | 0 | 112.9 | P1464 A1466 V1472 | P1464-Q1468 WeakPolarHBondContact O-CB 3.44Å; P1464-Q1468 PolarHBondContact O-N 3.25Å; A1466-Q1468 PolarHBondContact O-N 3.47Å; Q1468-V1472 HydrophobicContact CG-CG2 4.33Å; Q1468-V1472 VanDerWaalsContact O-CB 3.23Å; Q1468-V1472 WeakPolarHBondContact O-CB 3.46Å; Q1468-V1472 WeakPolarHBondContact O-CG2 3.39Å; Q1468-V1472 PolarHBondContact O-N 3.22Å |
| 1469 | F | 78 | Confident | 67.3 | Low | 24 Ų | 24 | 63.5 Ų | 63.5 | 11% | 0.105 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -47.5 | 172.8 | 169.7 | -100 | 0 | 0 | 0 | 112.1 | M1358 A1361 V1364 P1365 I1368 A1465 A1466 S1467 V1472 R1473 | M1358-F1469 HydrophobicContact CG-CE1 4.38Å; A1361-F1469 HydrophobicContact CB-CE2 4.22Å; A1361-F1469 HydrophobicContact CB-CZ 3.88Å; V1364-F1469 HydrophobicContact CG2-CE2 4.29Å; V1364-F1469 HydrophobicContact CG2-CZ 3.91Å; P1365-F1469 VanDerWaalsContact CD-CD2 3.44Å; P1365-F1469 HydrophobicContact CG-CB 3.71Å; P1365-F1469 HydrophobicContact CG-CD2 4.11Å; P1365-F1469 HydrophobicContact CG-CG 4.03Å; I1368-F1469 HydrophobicContact CD1-CB 4.4Å; I1368-F1469 HydrophobicContact CD1-CD1 3.72Å; I1368-F1469 HydrophobicContact CD1-CE1 4.32Å; I1368-F1469 HydrophobicContact CD1-CG 4.23Å; A1465-F1469 VanDerWaalsContact O-CB 3.3Å; A1465-F1469 WeakPolarHBondContact O-CB 3.25Å; A1465-F1469 PolarHBondContact O-N 2.87Å; A1466-F1469 PolarHBondContact O-N 3.45Å; S1467-F1469 VanDerWaalsContact C-N 3.3Å; S1467-F1469 PolarHBondContact O-N 3.16Å; F1469-V1472 PolarHBondContact O-N 2.95Å; F1469-R1473 HydrophobicContact CE1-CG 4.41Å; F1469-R1473 HydrophobicContact CE2-CG 4.15Å; F1469-R1473 HydrophobicContact CZ-CG 3.94Å; F1469-R1473 WeakPolarHBondContact O-CB 3.41Å; F1469-R1473 PolarHBondContact O-N 3.48Å |
| 1470 | F | 75.5 | Confident | 65.7 | Low | 7 Ų | 7 | 70.1 Ų | 70.1 | 3% | 0.031 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -67.8 | -37.4 | -179.2 | -69.7 | -61.3 | 0 | 0 | 0 | 112.4 | Y1354 M1358 I1368 I1375 F1376 A1466 S1467 R1473 L1474 L1501 | Y1354-F1470 HydrophobicContact CD1-CB 4.5Å; Y1354-F1470 HydrophobicContact CD1-CD1 4.03Å; Y1354-F1470 HydrophobicContact CE1-CB 4.35Å; M1358-F1470 HydrophobicContact SD-CE1 4.25Å; M1358-F1470 HydrophobicContact SD-CZ 3.92Å; I1368-F1470 HydrophobicContact CD1-CE2 4.17Å; I1368-F1470 HydrophobicContact CD1-CZ 4.26Å; I1375-F1470 HydrophobicContact CD1-CE2 4.39Å; I1375-F1470 HydrophobicContact CD1-CZ 4.28Å; I1375-F1470 HydrophobicContact CG2-CE2 4.34Å; I1375-F1470 HydrophobicContact CG2-CZ 4.12Å; F1376-F1470 HydrophobicContact CE2-CZ 4.47Å; F1376-F1470 HydrophobicContact CZ-CE1 4.04Å; F1376-F1470 HydrophobicContact CZ-CZ 4.27Å; A1466-F1470 WeakPolarHBondContact O-CD2 3.49Å; A1466-F1470 PolarHBondContact O-N 2.94Å; S1467-F1470 PolarHBondContact O-N 3.25Å; S1467-F1470 VanDerWaalsContact O-N 3.1Å; F1470-R1473 PolarHBondContact O-N 3.21Å; F1470-L1474 WeakPolarHBondContact O-CB 3.44Å; F1470-L1474 PolarHBondContact O-N 2.69Å; F1470-L1501 HydrophobicContact CB-CD2 4.45Å; F1470-L1501 HydrophobicContact CD1-CD2 3.89Å; F1470-L1501 HydrophobicContact CD2-CD2 3.56Å; F1470-L1501 HydrophobicContact CE1-CD2 3.96Å; F1470-L1501 HydrophobicContact CE2-CD2 3.65Å; F1470-L1501 HydrophobicContact CG-CD2 3.71Å; F1470-L1501 HydrophobicContact CZ-CD2 3.85Å |
| 1471 | D | 68.6 | Low | 64.2 | Low | 94 Ų | 94 | 75.4 Ų | 75.4 | 50% | 0.503 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 174.5 | -65.6 | -27.8 | 0 | 0 | 0 | 111.8 | S1467 L1474 F1475 | S1467-D1471 VanDerWaalsContact O-CG 3.3Å; S1467-D1471 PolarHBondContact O-N 3.37Å; D1471-L1474 WeakPolarHBondContact O-CB 3.28Å; D1471-L1474 PolarHBondContact O-N 3.17Å; D1471-F1475 PolarHBondContact O-N 2.93Å |
| 1472 | V | 66.4 | Low | 62.2 | Low | 75 Ų | 75 | 83.1 Ų | 83.1 | 46% | 0.455 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -68.3 | -34.6 | 175.8 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | Q1468 F1469 F1475 L1476 | Q1468-V1472 HydrophobicContact CG-CG2 4.33Å; Q1468-V1472 VanDerWaalsContact O-CB 3.23Å; Q1468-V1472 WeakPolarHBondContact O-CB 3.46Å; Q1468-V1472 WeakPolarHBondContact O-CG2 3.39Å; Q1468-V1472 PolarHBondContact O-N 3.22Å; F1469-V1472 PolarHBondContact O-N 2.95Å; V1472-F1475 PolarHBondContact O-N 3.31Å; V1472-L1476 HydrophobicContact CG1-CD1 3.99Å; V1472-L1476 HydrophobicContact CG1-CG 4.39Å; V1472-L1476 WeakPolarHBondContact O-CB 3.21Å; V1472-L1476 VanDerWaalsContact O-CG 3.29Å; V1472-L1476 WeakPolarHBondContact O-CG 3.33Å; V1472-L1476 PolarHBondContact O-N 3.1Å |
| 1473 | R | 60.7 | Low | 60.2 | Low | 54 Ų | 54 | 86.4 Ų | 86.4 | 20% | 0.204 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | 172.4 | -113.6 | -62.9 | -154.7 | 178.9 | 6.7 | 111.2 | S1357 T1360 F1469 F1470 F1475 L1476 I1477 | S1357-R1473 VanDerWaalsContact O-CZ 3.27Å; S1357-R1473 PolarHBondContact O-NE 3.4Å; S1357-R1473 PolarHBondContact O-NH2 2.94Å; T1360-R1473 PolarHBondContact OG1-NH2 3.46Å; F1469-R1473 HydrophobicContact CE1-CG 4.41Å; F1469-R1473 HydrophobicContact CE2-CG 4.15Å; F1469-R1473 HydrophobicContact CZ-CG 3.94Å; F1469-R1473 WeakPolarHBondContact O-CB 3.41Å; F1469-R1473 PolarHBondContact O-N 3.48Å; F1470-R1473 PolarHBondContact O-N 3.21Å; R1473-F1475 VanDerWaalsContact C-N 3.33Å; R1473-F1475 PolarHBondContact O-N 3.12Å; R1473-L1476 PolarHBondContact O-N 3.04Å; R1473-L1476 VanDerWaalsContact O-N 3.16Å; R1473-I1477 WeakPolarHBondContact O-CD1 3.39Å; R1473-I1477 WeakPolarHBondContact O-CG1 3.03Å; R1473-I1477 PolarHBondContact O-N 3.5Å |
| 1474 | L | 56.8 | Low | 58.1 | Low | 34 Ų | 34 | 90.4 Ų | 90.4 | 18% | 0.178 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -57.5 | -48.3 | 174.9 | -166.7 | 68.4 | 0 | 0 | 0 | 110.3 | Y1354 F1470 D1471 L1476 I1477 V1478 L1497 | Y1354-L1474 HydrophobicContact CE1-CD1 4.44Å; F1470-L1474 WeakPolarHBondContact O-CB 3.44Å; F1470-L1474 PolarHBondContact O-N 2.69Å; D1471-L1474 WeakPolarHBondContact O-CB 3.28Å; D1471-L1474 PolarHBondContact O-N 3.17Å; L1474-L1476 VanDerWaalsContact C-N 3.33Å; L1474-L1476 PolarHBondContact O-N 3.02Å; L1474-I1477 PolarHBondContact O-N 2.89Å; L1474-V1478 WeakPolarHBondContact O-CG2 3.49Å; L1474-V1478 PolarHBondContact O-N 3.32Å; L1474-L1497 HydrophobicContact CD1-CB 4.34Å; L1474-L1497 HydrophobicContact CD1-CD1 3.69Å |
| 1475 | F | 54.6 | Low | 56.4 | Low | 104 Ų | 104 | 91.7 Ų | 91.7 | 46% | 0.456 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -59.2 | -38.4 | 174.9 | -166.4 | -93.3 | 0 | 0 | 0 | 113.2 | D1471 V1472 R1473 R1479 | D1471-F1475 PolarHBondContact O-N 2.93Å; V1472-F1475 PolarHBondContact O-N 3.31Å; R1473-F1475 VanDerWaalsContact C-N 3.33Å; R1473-F1475 PolarHBondContact O-N 3.12Å; F1475-R1479 WeakPolarHBondContact O-CB 3.43Å; F1475-R1479 PolarHBondContact O-N 3.35Å |
| 1476 | L | 56.6 | Low | 54.8 | Low | 91 Ų | 91 | 94.1 Ų | 94.1 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -76.1 | -35.9 | 179.2 | -74.6 | 170.5 | 0 | 0 | 0 | 114.2 | V1472 R1473 L1474 R1479 R1480 | V1472-L1476 HydrophobicContact CG1-CD1 3.99Å; V1472-L1476 HydrophobicContact CG1-CG 4.39Å; V1472-L1476 WeakPolarHBondContact O-CB 3.21Å; V1472-L1476 VanDerWaalsContact O-CG 3.29Å; V1472-L1476 WeakPolarHBondContact O-CG 3.33Å; V1472-L1476 PolarHBondContact O-N 3.1Å; R1473-L1476 PolarHBondContact O-N 3.04Å; R1473-L1476 VanDerWaalsContact O-N 3.16Å; L1474-L1476 VanDerWaalsContact C-N 3.33Å; L1474-L1476 PolarHBondContact O-N 3.02Å; L1476-R1479 PolarHBondContact O-N 3.39Å; L1476-R1480 PolarHBondContact O-N 3.41Å |
| 1477 | I | 53.2 | Low | 53.5 | Low | 31 Ų | 31 | 97.9 Ų | 97.9 | 16% | 0.159 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -62.3 | -48.9 | 176.5 | -68.9 | 156.6 | 0 | 0 | 0 | 109.3 | Y1353 S1357 R1473 L1474 R1479 R1480 | Y1353-I1477 HydrophobicContact CD1-CG2 4.47Å; Y1353-I1477 WeakPolarHBondContact O-CD1 3.36Å; S1357-I1477 WeakPolarHBondContact OG-CD1 3.49Å; R1473-I1477 WeakPolarHBondContact O-CD1 3.39Å; R1473-I1477 WeakPolarHBondContact O-CG1 3.03Å; R1473-I1477 PolarHBondContact O-N 3.5Å; L1474-I1477 PolarHBondContact O-N 2.89Å; I1477-R1479 VanDerWaalsContact C-N 3.32Å; I1477-R1479 PolarHBondContact O-N 2.97Å; I1477-R1480 PolarHBondContact O-N 2.87Å |
| 1478 | V | 49.7 | Very low | 52.3 | Low | 27 Ų | 27 | 100 Ų | 100 | 16% | 0.164 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -53.6 | -49 | 174.6 | 168.3 | 0 | 0 | 0 | 0 | 111 | L1474 R1480 N1481 V1491 V1495 | L1474-V1478 WeakPolarHBondContact O-CG2 3.49Å; L1474-V1478 PolarHBondContact O-N 3.32Å; V1478-R1480 PolarHBondContact O-N 3.16Å; V1478-R1480 VanDerWaalsContact O-N 3.11Å; V1478-N1481 PolarHBondContact O-N 3.15Å; V1478-N1481 VanDerWaalsContact O-N 3.11Å; V1478-V1491 HydrophobicContact CB-CG1 4.02Å; V1478-V1491 HydrophobicContact CG1-CB 4.17Å; V1478-V1491 HydrophobicContact CG1-CG1 3.54Å; V1478-V1491 HydrophobicContact CG1-CG2 3.66Å; V1478-V1491 HydrophobicContact CG2-CG1 3.42Å; V1478-V1491 VanDerWaalsContact CG2-CG1 3.42Å; V1478-V1495 HydrophobicContact CG2-CG2 4.11Å |
| 1479 | R | 45.3 | Very low | 50.8 | Low | 184 Ų | 184 | 101 Ų | 101 | 69% | 0.694 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.5 | -15.6 | -175.9 | -152.9 | 177.3 | -167.2 | -175.4 | 5.1 | 114.5 | F1475 L1476 I1477 | F1475-R1479 WeakPolarHBondContact O-CB 3.43Å; F1475-R1479 PolarHBondContact O-N 3.35Å; L1476-R1479 PolarHBondContact O-N 3.39Å; I1477-R1479 VanDerWaalsContact C-N 3.32Å; I1477-R1479 PolarHBondContact O-N 2.97Å |
| 1480 | R | 45.4 | Very low | 49.1 | Very low | 218 Ų | 218 | 103.7 Ų | 103.7 | 82% | 0.823 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -82.4 | -20.3 | 176.8 | -161 | 165.5 | -178.1 | 143.6 | -1.4 | 112.8 | L1476 I1477 V1478 Q1482 | L1476-R1480 PolarHBondContact O-N 3.41Å; I1477-R1480 PolarHBondContact O-N 2.87Å; V1478-R1480 PolarHBondContact O-N 3.16Å; V1478-R1480 VanDerWaalsContact O-N 3.11Å; R1480-Q1482 VanDerWaalsContact C-N 3.3Å; R1480-Q1482 PolarHBondContact O-N 3.46Å |
| 1481 | N | 47.2 | Very low | 47.6 | Very low | 128 Ų | 128 | 104.6 Ų | 104.6 | 68% | 0.684 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -90.7 | 61.4 | 174.3 | -72.8 | -3.6 | 0 | 0 | 0 | 111.6 | V1478 L1483 | V1478-N1481 PolarHBondContact O-N 3.15Å; V1478-N1481 VanDerWaalsContact O-N 3.11Å; N1481-L1483 PolarHBondContact O-N 3.32Å |
| 1482 | Q | 36.8 | Very low | 46.3 | Very low | 175 Ų | 175 | 104.2 Ų | 104.2 | 82% | 0.818 | 51% | 0.514 | S | S | * | . | trans | 25 | 84.6 | 158.6 | -58.5 | -178 | 4.5 | 0 | 0 | 118.1 | R1480 | R1480-Q1482 VanDerWaalsContact C-N 3.3Å; R1480-Q1482 PolarHBondContact O-N 3.46Å | ||
| 1483 | L | 35.4 | Very low | 45.3 | Very low | 170 Ų | 170 | 109 Ų | 109 | 89% | 0.89 | 53% | 0.529 | S | S | * | . | -168.9 | -170.5 | 127.4 | -126.6 | 71.8 | 0 | 0 | 0 | 112.5 | N1481 | N1481-L1483 PolarHBondContact O-N 3.32Š| |||
| 1484 | L | 32.1 | Very low | 44.6 | Very low | 152 Ų | 152 | 112.3 Ų | 112.3 | 80% | 0.796 | 55% | 0.55 | S | S | * | * | trans | -64.2 | 166.1 | -173.3 | -77.5 | 161.8 | 0 | 0 | 0 | 115.2 | L1486 | L1484-L1486 PolarHBondContact O-N 2.92Š| ||
| 1485 | V | 37.9 | Very low | 44 | Very low | 137 Ų | 137 | 112.1 Ų | 112.1 | 83% | 0.83 | 55% | 0.551 | S | S | * | * | trans | -47 | 118.8 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1486 | L | 36.2 | Very low | 43.9 | Very low | 96 Ų | 96 | 116.1 Ų | 116.1 | 50% | 0.503 | 57% | 0.571 | S | S | . | * | trans | -134.1 | 156.3 | 168.4 | -74.5 | 177.7 | 0 | 0 | 0 | 109.2 | L1484 E1490 | L1484-L1486 PolarHBondContact O-N 2.92Å; L1486-E1490 HydrophobicContact CB-CB 3.98Å; L1486-E1490 HydrophobicContact CD1-CB 4.26Å; L1486-E1490 HydrophobicContact CD2-CB 4.49Å; L1486-E1490 HydrophobicContact CD2-CG 4.32Å; L1486-E1490 HydrophobicContact CG-CB 4.48Å | ||
| 1487 | T | 43.8 | Very low | 43.7 | Very low | 79 Ų | 79 | 112 Ų | 112 | 49% | 0.485 | 55% | 0.549 | S | S | . | . | trans | -77.5 | 165.7 | -175.3 | 81.5 | 0 | 0 | 0 | 0 | 111.5 | Q1489 E1490 V1491 | T1487-Q1489 PolarHBondContact O-N 3.21Å; T1487-Q1489 VanDerWaalsContact O-N 3.09Å; T1487-Q1489 PolarHBondContact OG1-N 3.3Å; T1487-E1490 VanDerWaalsContact CB-OE2 3.31Å; T1487-E1490 WeakPolarHBondContact CB-OE2 3.49Å; T1487-E1490 WeakPolarHBondContact CG2-OE2 3.49Å; T1487-E1490 PolarHBondContact N-OE2 3.23Å; T1487-E1490 PolarHBondContact O-N 3.37Å; T1487-E1490 VanDerWaalsContact O-N 3.1Å; T1487-E1490 PolarHBondContact OG1-OE2 3.12Å; T1487-V1491 WeakPolarHBondContact O-CB 3.45Å; T1487-V1491 VanDerWaalsContact O-CG2 3.29Å; T1487-V1491 WeakPolarHBondContact O-CG2 3.26Å; T1487-V1491 PolarHBondContact O-N 2.88Å | ||
| 1488 | V | 44.3 | Very low | 43.9 | Very low | 86 Ų | 86 | 113.9 Ų | 113.9 | 52% | 0.521 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -55.3 | -29.8 | 177.7 | -178.9 | 0 | 0 | 0 | 0 | 111.9 | Q1492 | V1488-Q1492 WeakPolarHBondContact O-CB 3.31Å; V1488-Q1492 PolarHBondContact O-N 3.01Å |
| 1489 | Q | 43.3 | Very low | 44.9 | Very low | 156 Ų | 156 | 115 Ų | 115 | 73% | 0.729 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -75.2 | -36 | 178.2 | -69.8 | -174.6 | -20.8 | 0 | 0 | 113.7 | T1487 | T1487-Q1489 PolarHBondContact O-N 3.21Å; T1487-Q1489 VanDerWaalsContact O-N 3.09Å; T1487-Q1489 PolarHBondContact OG1-N 3.3Å |
| 1490 | E | 42.4 | Very low | 46.3 | Very low | 79 Ų | 79 | 109.4 Ų | 109.4 | 37% | 0.369 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.6 | -37.7 | 169 | -77.6 | 78.2 | -133.6 | 0 | 0 | 111.6 | L1486 T1487 Q1492 K1493 N1494 | L1486-E1490 HydrophobicContact CB-CB 3.98Å; L1486-E1490 HydrophobicContact CD1-CB 4.26Å; L1486-E1490 HydrophobicContact CD2-CB 4.49Å; L1486-E1490 HydrophobicContact CD2-CG 4.32Å; L1486-E1490 HydrophobicContact CG-CB 4.48Å; T1487-E1490 VanDerWaalsContact CB-OE2 3.31Å; T1487-E1490 WeakPolarHBondContact CB-OE2 3.49Å; T1487-E1490 WeakPolarHBondContact CG2-OE2 3.49Å; T1487-E1490 PolarHBondContact N-OE2 3.23Å; T1487-E1490 PolarHBondContact O-N 3.37Å; T1487-E1490 VanDerWaalsContact O-N 3.1Å; T1487-E1490 PolarHBondContact OG1-OE2 3.12Å; E1490-Q1492 VanDerWaalsContact C-N 3.34Å; E1490-Q1492 PolarHBondContact O-N 3.48Å; E1490-K1493 CarbonylContact O-C 3.59Å; E1490-K1493 WeakPolarHBondContact O-CA 3.45Å; E1490-K1493 WeakPolarHBondContact O-CB 3.42Å; E1490-K1493 PolarHBondContact O-N 2.88Å; E1490-N1494 PolarHBondContact O-N 3.44Å |
| 1491 | V | 43.4 | Very low | 48 | Very low | 26 Ų | 26 | 99.3 Ų | 99.3 | 16% | 0.158 | 52% | 0.52 | C | S | . | . | H | α-helix | trans | -57 | -46.8 | 177.4 | 158.7 | 0 | 0 | 0 | 0 | 111.5 | V1478 T1487 K1493 N1494 V1495 | V1478-V1491 HydrophobicContact CB-CG1 4.02Å; V1478-V1491 HydrophobicContact CG1-CB 4.17Å; V1478-V1491 HydrophobicContact CG1-CG1 3.54Å; V1478-V1491 HydrophobicContact CG1-CG2 3.66Å; V1478-V1491 HydrophobicContact CG2-CG1 3.42Å; V1478-V1491 VanDerWaalsContact CG2-CG1 3.42Å; T1487-V1491 WeakPolarHBondContact O-CB 3.45Å; T1487-V1491 VanDerWaalsContact O-CG2 3.29Å; T1487-V1491 WeakPolarHBondContact O-CG2 3.26Å; T1487-V1491 PolarHBondContact O-N 2.88Å; V1491-K1493 PolarHBondContact O-N 3.41Å; V1491-N1494 PolarHBondContact O-N 3.48Å; V1491-V1495 PolarHBondContact O-N 2.75Å |
| 1492 | Q | 41.6 | Very low | 49.6 | Very low | 86 Ų | 86 | 95.9 Ų | 95.9 | 40% | 0.402 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.7 | -2.4 | 177.8 | -160.2 | 168.4 | -7.9 | 0 | 0 | 113.2 | V1488 E1490 S1498 | V1488-Q1492 WeakPolarHBondContact O-CB 3.31Å; V1488-Q1492 PolarHBondContact O-N 3.01Å; E1490-Q1492 VanDerWaalsContact C-N 3.34Å; E1490-Q1492 PolarHBondContact O-N 3.48Å; Q1492-S1498 PolarHBondContact NE2-O 2.98Å |
| 1493 | K | 44.6 | Very low | 51.8 | Low | 177 Ų | 177 | 88.9 Ų | 88.9 | 77% | 0.77 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -104.1 | -34.5 | 174.1 | -132.8 | 178 | -173.8 | 178.3 | 0 | 112.9 | E1490 V1491 | E1490-K1493 CarbonylContact O-C 3.59Å; E1490-K1493 WeakPolarHBondContact O-CA 3.45Å; E1490-K1493 WeakPolarHBondContact O-CB 3.42Å; E1490-K1493 PolarHBondContact O-N 2.88Å; V1491-K1493 PolarHBondContact O-N 3.41Å |
| 1494 | N | 45.7 | Very low | 54.2 | Low | 122 Ų | 122 | 81 Ų | 81 | 65% | 0.652 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -93.3 | -18.3 | -177.3 | -69.9 | -10.2 | 0 | 0 | 0 | 113.5 | E1490 V1491 | E1490-N1494 PolarHBondContact O-N 3.44Å; V1491-N1494 PolarHBondContact O-N 3.48Å |
| 1495 | V | 45.2 | Very low | 56.9 | Low | 31 Ų | 31 | 73.8 Ų | 73.8 | 19% | 0.188 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -111.6 | 132.1 | 166.6 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | V1478 V1491 L1497 | V1478-V1495 HydrophobicContact CG2-CG2 4.11Å; V1491-V1495 PolarHBondContact O-N 2.75Å; V1495-L1497 HydrophobicContact CG1-CB 4.41Å; V1495-L1497 HydrophobicContact CG1-CD1 4.14Å; V1495-L1497 HydrophobicContact CG1-CG 4.43Å; V1495-L1497 PolarHBondContact O-N 2.89Å |
| 1496 | Q | 51.2 | Low | 59.3 | Low | 187 Ų | 187 | 70.2 Ų | 70.2 | 87% | 0.874 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -72.5 | 22.5 | -171.7 | -67.6 | 155.4 | -46.6 | 0 | 0 | 114.6 | S1498 | Q1496-S1498 PolarHBondContact O-N 3Š|
| 1497 | L | 53.1 | Low | 61.7 | Low | 6 Ų | 6 | 67 Ų | 67 | 3% | 0.031 | 36% | 0.359 | C | S | . | . | trans | -91.6 | 84.9 | 170.8 | -80.5 | 162.1 | 0 | 0 | 0 | 109.2 | A1349 Y1353 Y1354 L1474 V1495 L1499 Y1504 | A1349-L1497 HydrophobicContact CB-CD2 4.41Å; Y1353-L1497 HydrophobicContact CD1-CD1 3.94Å; Y1353-L1497 HydrophobicContact CD2-CD1 4Å; Y1353-L1497 HydrophobicContact CD2-CD2 3.66Å; Y1353-L1497 HydrophobicContact CD2-CG 3.92Å; Y1353-L1497 HydrophobicContact CE2-CD2 4.49Å; Y1353-L1497 HydrophobicContact CE2-CG 4.41Å; Y1353-L1497 HydrophobicContact CG-CD1 3.63Å; Y1353-L1497 HydrophobicContact CG-CD2 3.94Å; Y1353-L1497 HydrophobicContact CG-CG 4.08Å; Y1354-L1497 HydrophobicContact CE2-CD2 4.42Å; L1474-L1497 HydrophobicContact CD1-CB 4.34Å; L1474-L1497 HydrophobicContact CD1-CD1 3.69Å; V1495-L1497 HydrophobicContact CG1-CB 4.41Å; V1495-L1497 HydrophobicContact CG1-CD1 4.14Å; V1495-L1497 HydrophobicContact CG1-CG 4.43Å; V1495-L1497 PolarHBondContact O-N 2.89Å; L1497-L1499 PolarHBondContact O-N 3.42Å; L1497-Y1504 HydrophobicContact CD2-CE2 4.18Å | ||
| 1498 | S | 57.7 | Low | 64 | Low | 69 Ų | 69 | 63.2 Ų | 63.2 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | trans | -78.1 | -15.3 | -173.9 | 55.9 | 0 | 0 | 0 | 0 | 114.8 | Q1492 Q1496 | Q1492-S1498 PolarHBondContact NE2-O 2.98Å; Q1496-S1498 PolarHBondContact O-N 3Å | ||
| 1499 | L | 70.6 | Confident | 66 | Low | 52 Ų | 52 | 61.3 Ų | 61.3 | 27% | 0.272 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -130.3 | 150.3 | -168.3 | -66.8 | 172.2 | 0 | 0 | 0 | 113 | Y1354 L1497 A1503 Y1504 K1507 | Y1354-L1499 PolarHBondContact OH-O 2.95Å; L1497-L1499 PolarHBondContact O-N 3.42Å; L1499-A1503 HydrophobicContact CB-CB 4.14Å; L1499-A1503 HydrophobicContact CD2-CB 4.23Å; L1499-Y1504 HydrophobicContact CB-CD2 4.16Å; L1499-Y1504 HydrophobicContact CB-CE2 3.76Å; L1499-Y1504 WeakPolarHBondContact O-CE2 3.28Å; L1499-K1507 VanDerWaalsContact CD1-CE 3.44Å; L1499-K1507 VanDerWaalsContact CD1-NZ 3.29Å |
| 1500 | P | 74.5 | Confident | 68.2 | Low | 65 Ų | 65 | 58.8 Ų | 58.8 | 42% | 0.422 | 31% | 0.313 | S | S | . | . | trans | -74.4 | 158 | 169.3 | 31.7 | -35.4 | 0 | 0 | 0 | 111.7 | A1502 A1503 Y1504 | P1500-A1502 VanDerWaalsContact C-N 3.3Å; P1500-A1502 PolarHBondContact O-N 3.47Å; P1500-A1502 VanDerWaalsContact O-N 3.13Å; P1500-A1503 HydrophobicContact CG-CB 4.08Å; P1500-A1503 WeakPolarHBondContact O-CA 3.22Å; P1500-A1503 WeakPolarHBondContact O-CB 3.37Å; P1500-A1503 PolarHBondContact O-N 3.43Å; P1500-Y1504 PolarHBondContact O-N 3.37Å | ||
| 1501 | L | 80.8 | Confident | 70.6 | Confident | 7 Ų | 7 | 55.4 Ų | 55.4 | 4% | 0.037 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -48.4 | -44.7 | -176.5 | 175.5 | 59.1 | 0 | 0 | 0 | 114.1 | Y1354 I1375 F1376 V1461 F1470 A1503 Y1504 L1505 | Y1354-L1501 HydrophobicContact CD1-CB 4.14Å; Y1354-L1501 HydrophobicContact CD1-CD1 4.4Å; Y1354-L1501 HydrophobicContact CD2-CB 4.34Å; Y1354-L1501 HydrophobicContact CD2-CD1 3.97Å; Y1354-L1501 HydrophobicContact CE1-CB 3.98Å; Y1354-L1501 HydrophobicContact CE2-CB 4.18Å; Y1354-L1501 HydrophobicContact CG-CB 4.32Å; Y1354-L1501 HydrophobicContact CG-CD1 3.87Å; Y1354-L1501 PolarHBondContact OH-N 3.13Å; I1375-L1501 HydrophobicContact CG2-CD2 4.38Å; F1376-L1501 HydrophobicContact CD1-CD1 4.36Å; F1376-L1501 HydrophobicContact CE1-CD1 3.64Å; F1376-L1501 HydrophobicContact CE1-CD2 4.41Å; F1376-L1501 HydrophobicContact CZ-CD1 4.41Å; F1376-L1501 HydrophobicContact CZ-CD2 4.43Å; V1461-L1501 HydrophobicContact CG2-CD2 4.31Å; F1470-L1501 HydrophobicContact CB-CD2 4.45Å; F1470-L1501 HydrophobicContact CD1-CD2 3.89Å; F1470-L1501 HydrophobicContact CD2-CD2 3.56Å; F1470-L1501 HydrophobicContact CE1-CD2 3.96Å; F1470-L1501 HydrophobicContact CE2-CD2 3.65Å; F1470-L1501 HydrophobicContact CG-CD2 3.71Å; F1470-L1501 HydrophobicContact CZ-CD2 3.85Å; L1501-A1503 PolarHBondContact O-N 3.11Å; L1501-Y1504 PolarHBondContact O-N 2.7Å; L1501-L1505 HydrophobicContact CD1-CD1 3.82Å; L1501-L1505 HydrophobicContact CD1-CD2 4.27Å; L1501-L1505 HydrophobicContact CD1-CG 3.8Å; L1501-L1505 HydrophobicContact CD2-CD1 4.36Å; L1501-L1505 HydrophobicContact CG-CD1 3.78Å; L1501-L1505 HydrophobicContact CG-CG 4.23Å; L1501-L1505 WeakPolarHBondContact O-CG 3.24Å; L1501-L1505 PolarHBondContact O-N 2.64Å |
| 1502 | A | 81.1 | Confident | 72.7 | Confident | 55 Ų | 55 | 54.4 Ų | 54.4 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -59.1 | -32.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | V1461 P1500 I1506 | V1461-A1502 HydrophobicContact CG1-CB 4.47Å; P1500-A1502 VanDerWaalsContact C-N 3.3Å; P1500-A1502 PolarHBondContact O-N 3.47Å; P1500-A1502 VanDerWaalsContact O-N 3.13Å; A1502-I1506 PolarHBondContact O-N 3.03Å |
| 1503 | A | 82.1 | Confident | 74.8 | Confident | 29 Ų | 29 | 53.3 Ų | 53.3 | 24% | 0.24 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -83.5 | -13.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1499 P1500 L1501 K1507 | L1499-A1503 HydrophobicContact CB-CB 4.14Å; L1499-A1503 HydrophobicContact CD2-CB 4.23Å; P1500-A1503 HydrophobicContact CG-CB 4.08Å; P1500-A1503 WeakPolarHBondContact O-CA 3.22Å; P1500-A1503 WeakPolarHBondContact O-CB 3.37Å; P1500-A1503 PolarHBondContact O-N 3.43Å; L1501-A1503 PolarHBondContact O-N 3.11Å; A1503-K1507 WeakPolarHBondContact O-CE 3.44Å; A1503-K1507 WeakPolarHBondContact O-CG 3.35Å |
| 1504 | Y | 86.4 | Confident | 76.8 | Confident | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -81.5 | -47 | 163.2 | -75.9 | -72 | 0 | 0 | 0 | 111.4 | D1346 A1349 C1350 Y1354 L1497 L1499 P1500 L1501 I1506 K1507 | D1346-Y1504 HydrophobicContact CB-CD1 4.05Å; D1346-Y1504 HydrophobicContact CB-CE1 4.02Å; D1346-Y1504 VanDerWaalsContact O-CD1 3.31Å; D1346-Y1504 WeakPolarHBondContact O-CD1 3.32Å; D1346-Y1504 WeakPolarHBondContact OD1-CE1 3.17Å; A1349-Y1504 HydrophobicContact CB-CE1 4.06Å; C1350-Y1504 HydrophobicContact CB-CD1 4.29Å; C1350-Y1504 HydrophobicContact CB-CG 4.12Å; Y1354-Y1504 HydrophobicContact CD2-CD2 4.29Å; Y1354-Y1504 AromaticContact CE2-CD2 3.8Å; Y1354-Y1504 HydrophobicContact CE2-CD2 3.8Å; Y1354-Y1504 AromaticContact CE2-CE2 3.91Å; Y1354-Y1504 HydrophobicContact CE2-CE2 3.91Å; L1497-Y1504 HydrophobicContact CD2-CE2 4.18Å; L1499-Y1504 HydrophobicContact CB-CD2 4.16Å; L1499-Y1504 HydrophobicContact CB-CE2 3.76Å; L1499-Y1504 WeakPolarHBondContact O-CE2 3.28Å; P1500-Y1504 PolarHBondContact O-N 3.37Å; L1501-Y1504 PolarHBondContact O-N 2.7Å; Y1504-I1506 PolarHBondContact O-N 3.13Å; Y1504-I1506 VanDerWaalsContact O-N 3.14Å; Y1504-K1507 HydrophobicContact CD1-CD 4.06Å; Y1504-K1507 VanDerWaalsContact O-CB 3.31Å; Y1504-K1507 WeakPolarHBondContact O-CB 3.44Å; Y1504-K1507 WeakPolarHBondContact O-CG 3.31Å; Y1504-K1507 PolarHBondContact O-N 3.41Å |
| 1505 | L | 88.8 | Confident | 79 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.2 | -20.3 | -176.9 | -64.2 | 171.8 | 0 | 0 | 0 | 113.5 | F1376 I1379 Y1450 K1454 V1461 L1501 | F1376-L1505 HydrophobicContact CD1-CD2 4.18Å; I1379-L1505 HydrophobicContact CD1-CD2 4.26Å; Y1450-L1505 WeakPolarHBondContact CE1-O 3.42Å; Y1450-L1505 PolarHBondContact OH-O 3.02Å; K1454-L1505 WeakPolarHBondContact CE-O 3.45Å; V1461-L1505 HydrophobicContact CG2-CD1 4.05Å; L1501-L1505 HydrophobicContact CD1-CD1 3.82Å; L1501-L1505 HydrophobicContact CD1-CD2 4.27Å; L1501-L1505 HydrophobicContact CD1-CG 3.8Å; L1501-L1505 HydrophobicContact CD2-CD1 4.36Å; L1501-L1505 HydrophobicContact CG-CD1 3.78Å; L1501-L1505 HydrophobicContact CG-CG 4.23Å; L1501-L1505 WeakPolarHBondContact O-CG 3.24Å; L1501-L1505 PolarHBondContact O-N 2.64Å |
| 1506 | I | 88.4 | Confident | 81.2 | Confident | 63 Ų | 63 | 42.3 Ų | 42.3 | 32% | 0.323 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17.6 | 174.9 | -163.1 | 59.5 | 0 | 0 | 0 | 113.4 | A1502 Y1504 V1509 Q1510 | A1502-I1506 PolarHBondContact O-N 3.03Å; Y1504-I1506 PolarHBondContact O-N 3.13Å; Y1504-I1506 VanDerWaalsContact O-N 3.14Å; I1506-V1509 HydrophobicContact CD1-CB 4.29Å; I1506-V1509 HydrophobicContact CD1-CG2 4.36Å; I1506-V1509 PolarHBondContact O-N 3.16Å; I1506-V1509 VanDerWaalsContact O-N 3.17Å; I1506-Q1510 HydrophobicContact CG1-CG 4.31Å; I1506-Q1510 PolarHBondContact O-N 3.42Å; I1506-Q1510 VanDerWaalsContact O-N 3.14Å |
| 1507 | K | 87.7 | Confident | 83 | Confident | 28 Ų | 28 | 38.9 Ų | 38.9 | 12% | 0.122 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -37.7 | -172.6 | -66.8 | 173.6 | -178.2 | -85.3 | 0 | 114.5 | Y1343 D1346 L1499 A1503 Y1504 V1509 Q1510 R1511 | Y1343-K1507 HydrophobicContact CD2-CB 4.01Å; Y1343-K1507 HydrophobicContact CE2-CB 3.91Å; D1346-K1507 HydrophobicContact CB-CD 3.43Å; D1346-K1507 VanDerWaalsContact CB-CD 3.43Å; D1346-K1507 WeakPolarHBondContact OD1-CE 3.47Å; D1346-K1507 IonicContact OD1-NZ 2.94Å; D1346-K1507 PolarHBondContact OD1-NZ 3.39Å; D1346-K1507 WeakPolarHBondContact OD2-CE 3.44Å; D1346-K1507 IonicContact OD2-NZ 2.67Å; D1346-K1507 PolarHBondContact OD2-NZ 3.35Å; L1499-K1507 VanDerWaalsContact CD1-CE 3.44Å; L1499-K1507 VanDerWaalsContact CD1-NZ 3.29Å; A1503-K1507 WeakPolarHBondContact O-CE 3.44Å; A1503-K1507 WeakPolarHBondContact O-CG 3.35Å; Y1504-K1507 HydrophobicContact CD1-CD 4.06Å; Y1504-K1507 VanDerWaalsContact O-CB 3.31Å; Y1504-K1507 WeakPolarHBondContact O-CB 3.44Å; Y1504-K1507 WeakPolarHBondContact O-CG 3.31Å; Y1504-K1507 PolarHBondContact O-N 3.41Å; K1507-V1509 VanDerWaalsContact C-N 3.33Å; K1507-V1509 PolarHBondContact O-N 3.31Å; K1507-Q1510 CarbonylContact O-C 3.19Å; K1507-Q1510 WeakPolarHBondContact O-CB 3.33Å; K1507-Q1510 PolarHBondContact O-N 2.83Å; K1507-R1511 PolarHBondContact O-N 3.48Å |
| 1508 | P | 91.6 | Very high | 84.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -59.3 | -41.1 | 175.1 | -27.6 | 37.9 | 0 | 0 | 0 | 113.3 | Y1343 L1347 I1382 Y1447 Y1450 Q1510 R1511 I1512 | Y1343-P1508 HydrophobicContact CE2-CG 4.45Å; Y1343-P1508 WeakPolarHBondContact OH-CA 3.45Å; L1347-P1508 HydrophobicContact CD2-CG 4.19Å; I1382-P1508 HydrophobicContact CD1-CB 4.27Å; Y1447-P1508 HydrophobicContact CD1-CB 4.05Å; Y1447-P1508 HydrophobicContact CE1-CB 3.77Å; Y1447-P1508 WeakPolarHBondContact CE1-O 3.26Å; Y1450-P1508 HydrophobicContact CD1-CB 3.75Å; Y1450-P1508 HydrophobicContact CD1-CG 4.17Å; Y1450-P1508 HydrophobicContact CE1-CB 3.71Å; Y1450-P1508 HydrophobicContact CE1-CG 3.65Å; Y1450-P1508 HydrophobicContact CE2-CG 4.16Å; Y1450-P1508 HydrophobicContact CG-CB 4.25Å; P1508-Q1510 VanDerWaalsContact C-N 3.34Å; P1508-R1511 PolarHBondContact O-N 3.32Å; P1508-I1512 WeakPolarHBondContact O-CG1 3.46Å; P1508-I1512 PolarHBondContact O-N 3.08Å |
| 1509 | V | 86.2 | Confident | 86.1 | Confident | 46 Ų | 46 | 35.9 Ų | 35.9 | 28% | 0.279 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66 | -39.3 | 175.9 | -170.7 | 0 | 0 | 0 | 0 | 110.9 | Y1450 I1506 K1507 T1513 | Y1450-V1509 HydrophobicContact CD1-CG2 4.43Å; I1506-V1509 HydrophobicContact CD1-CB 4.29Å; I1506-V1509 HydrophobicContact CD1-CG2 4.36Å; I1506-V1509 PolarHBondContact O-N 3.16Å; I1506-V1509 VanDerWaalsContact O-N 3.17Å; K1507-V1509 VanDerWaalsContact C-N 3.33Å; K1507-V1509 PolarHBondContact O-N 3.31Å; V1509-T1513 PolarHBondContact O-N 3.38Å; V1509-T1513 PolarHBondContact O-OG1 2.78Å; V1509-T1513 VanDerWaalsContact O-OG1 3.05Å |
| 1510 | Q | 88.8 | Confident | 86.8 | Confident | 102 Ų | 102 | 39.1 Ų | 39.1 | 48% | 0.477 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -66.8 | -32.3 | 174.6 | -67.4 | 174.4 | -26.8 | 0 | 0 | 113 | I1506 K1507 P1508 T1513 K1514 | I1506-Q1510 HydrophobicContact CG1-CG 4.31Å; I1506-Q1510 PolarHBondContact O-N 3.42Å; I1506-Q1510 VanDerWaalsContact O-N 3.14Å; K1507-Q1510 CarbonylContact O-C 3.19Å; K1507-Q1510 WeakPolarHBondContact O-CB 3.33Å; K1507-Q1510 PolarHBondContact O-N 2.83Å; P1508-Q1510 VanDerWaalsContact C-N 3.34Å; Q1510-T1513 WeakPolarHBondContact CA-OG1 3.13Å; Q1510-T1513 PolarHBondContact O-OG1 3.39Å; Q1510-T1513 VanDerWaalsContact O-OG1 3.04Å; Q1510-K1514 VanDerWaalsContact O-CB 3.25Å; Q1510-K1514 WeakPolarHBondContact O-CB 3.48Å; Q1510-K1514 PolarHBondContact O-N 3.47Å |
| 1511 | R | 93.4 | Very high | 87.3 | Confident | 9 Ų | 9 | 39.2 Ų | 39.2 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.5 | -44.6 | 179.5 | -165.9 | 73.6 | -170.2 | 149.7 | 1.2 | 111.8 | L1336 T1339 E1340 Y1343 K1507 P1508 T1513 K1514 Y1515 | L1336-R1511 PolarHBondContact O-NH2 3.06Å; T1339-R1511 PolarHBondContact OG1-NH1 2.85Å; E1340-R1511 IonicContact OE1-NE 2.69Å; E1340-R1511 IonicContact OE2-CZ 2.87Å; E1340-R1511 IonicContact OE2-NE 2.74Å; E1340-R1511 PolarHBondContact OE2-NE 2.76Å; E1340-R1511 IonicContact OE2-NH2 3.63Å; E1340-R1511 PolarHBondContact OE2-NH2 2.99Å; Y1343-R1511 HydrophobicContact CD1-CB 4.28Å; Y1343-R1511 HydrophobicContact CD1-CG 3.75Å; Y1343-R1511 HydrophobicContact CD2-CB 4.29Å; Y1343-R1511 HydrophobicContact CE1-CB 3.96Å; Y1343-R1511 HydrophobicContact CE1-CG 3.68Å; Y1343-R1511 HydrophobicContact CE2-CB 3.99Å; Y1343-R1511 HydrophobicContact CG-CB 4.42Å; Y1343-R1511 HydrophobicContact CG-CG 4.17Å; K1507-R1511 PolarHBondContact O-N 3.48Å; P1508-R1511 PolarHBondContact O-N 3.32Å; R1511-T1513 VanDerWaalsContact C-N 3.29Å; R1511-T1513 PolarHBondContact O-N 3.39Å; R1511-K1514 PolarHBondContact O-N 3.04Å; R1511-K1514 VanDerWaalsContact O-N 3.16Å; R1511-Y1515 HydrophobicContact CG-CD2 4.27Å; R1511-Y1515 HydrophobicContact CG-CE1 4.25Å; R1511-Y1515 HydrophobicContact CG-CE2 3.67Å; R1511-Y1515 WeakPolarHBondContact O-CD2 3.49Å; R1511-Y1515 PolarHBondContact O-N 2.95Å |
| 1512 | I | 88.1 | Confident | 87.5 | Confident | 5 Ų | 5 | 39 Ų | 39 | 3% | 0.026 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -54.5 | -48.2 | 175.8 | -51.6 | 156.8 | 0 | 0 | 0 | 110.5 | Y1447 P1508 Y1515 Q1516 V1543 P1544 | Y1447-I1512 HydrophobicContact CD1-CD1 3.7Å; Y1447-I1512 HydrophobicContact CD1-CG1 3.6Å; Y1447-I1512 HydrophobicContact CE1-CG1 4.1Å; Y1447-I1512 HydrophobicContact CG-CD1 4.05Å; Y1447-I1512 HydrophobicContact CG-CG1 3.95Å; P1508-I1512 WeakPolarHBondContact O-CG1 3.46Å; P1508-I1512 PolarHBondContact O-N 3.08Å; I1512-Y1515 PolarHBondContact O-N 3.15Å; I1512-Q1516 PolarHBondContact O-N 3.3Å; I1512-V1543 HydrophobicContact CD1-CG1 4.1Å; I1512-V1543 HydrophobicContact CG1-CG1 4.38Å; I1512-V1543 HydrophobicContact CG2-CB 4.09Å; I1512-V1543 HydrophobicContact CG2-CG1 3.98Å; I1512-P1544 HydrophobicContact CG2-CG 4.31Å |
| 1513 | T | 84.7 | Confident | 87.5 | Confident | 62 Ų | 62 | 38.5 Ų | 38.5 | 38% | 0.38 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -71 | -33.8 | -179.9 | 46.4 | 0 | 0 | 0 | 0 | 112.6 | V1509 Q1510 R1511 Q1516 L1517 | V1509-T1513 PolarHBondContact O-N 3.38Å; V1509-T1513 PolarHBondContact O-OG1 2.78Å; V1509-T1513 VanDerWaalsContact O-OG1 3.05Å; Q1510-T1513 WeakPolarHBondContact CA-OG1 3.13Å; Q1510-T1513 PolarHBondContact O-OG1 3.39Å; Q1510-T1513 VanDerWaalsContact O-OG1 3.04Å; R1511-T1513 VanDerWaalsContact C-N 3.29Å; R1511-T1513 PolarHBondContact O-N 3.39Å; T1513-Q1516 PolarHBondContact O-N 3.33Å; T1513-L1517 WeakPolarHBondContact O-CG 3.25Å; T1513-L1517 PolarHBondContact O-N 2.91Å; T1513-L1517 VanDerWaalsContact O-N 3.16Å |
| 1514 | K | 86.2 | Confident | 87.4 | Confident | 65 Ų | 65 | 42.5 Ų | 42.5 | 28% | 0.283 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -67.1 | -35.7 | 172.2 | -177.9 | 66.9 | 171.2 | -177.3 | 0 | 112.2 | E1335 Q1510 R1511 L1517 L1518 | E1335-K1514 WeakPolarHBondContact OE1-CE 3.45Å; E1335-K1514 IonicContact OE1-NZ 3.19Å; E1335-K1514 PolarHBondContact OE1-NZ 3.27Å; Q1510-K1514 VanDerWaalsContact O-CB 3.25Å; Q1510-K1514 WeakPolarHBondContact O-CB 3.48Å; Q1510-K1514 PolarHBondContact O-N 3.47Å; R1511-K1514 PolarHBondContact O-N 3.04Å; R1511-K1514 VanDerWaalsContact O-N 3.16Å; K1514-L1517 PolarHBondContact O-N 3.27Å; K1514-L1518 HydrophobicContact CD-CD1 4.16Å; K1514-L1518 HydrophobicContact CD-CG 4.06Å; K1514-L1518 HydrophobicContact CG-CD1 3.92Å; K1514-L1518 HydrophobicContact CG-CG 4.23Å; K1514-L1518 WeakPolarHBondContact O-CB 3.39Å; K1514-L1518 WeakPolarHBondContact O-CG 3.49Å; K1514-L1518 PolarHBondContact O-N 2.9Å |
| 1515 | Y | 93.5 | Very high | 86.8 | Confident | 1 Ų | 1 | 43.4 Ų | 43.4 | 0% | 0.004 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 172.7 | -68.4 | -48.6 | 0 | 0 | 0 | 111.6 | L1336 E1340 H1386 F1437 F1444 R1511 I1512 L1517 L1518 L1519 M1540 | L1336-Y1515 HydrophobicContact CD1-CD1 3.94Å; L1336-Y1515 HydrophobicContact CD1-CE1 4.14Å; E1340-Y1515 PolarHBondContact OE1-OH 3.48Å; E1340-Y1515 VanDerWaalsContact OE2-CE1 3.32Å; E1340-Y1515 WeakPolarHBondContact OE2-CE1 3.46Å; E1340-Y1515 PolarHBondContact OE2-OH 3.31Å; H1386-Y1515 PolarHBondContact CE1-OH 3.22Å; H1386-Y1515 VanDerWaalsContact CE1-OH 3.3Å; F1437-Y1515 AromaticContact CE1-CD1 3.65Å; F1437-Y1515 HydrophobicContact CE1-CD1 3.65Å; F1437-Y1515 HydrophobicContact CE1-CD2 4.09Å; F1437-Y1515 AromaticContact CE1-CE1 3.86Å; F1437-Y1515 HydrophobicContact CE1-CE1 3.86Å; F1437-Y1515 HydrophobicContact CE1-CE2 4.31Å; F1437-Y1515 AromaticContact CE1-CG 3.77Å; F1437-Y1515 HydrophobicContact CE1-CG 3.77Å; F1437-Y1515 AromaticContact CZ-CD1 3.68Å; F1437-Y1515 HydrophobicContact CZ-CD1 3.68Å; F1437-Y1515 AromaticContact CZ-CE1 3.92Å; F1437-Y1515 HydrophobicContact CZ-CE1 3.92Å; F1437-Y1515 HydrophobicContact CZ-CG 4.22Å; F1444-Y1515 HydrophobicContact CE1-CE2 4.1Å; R1511-Y1515 HydrophobicContact CG-CD2 4.27Å; R1511-Y1515 HydrophobicContact CG-CE1 4.25Å; R1511-Y1515 HydrophobicContact CG-CE2 3.67Å; R1511-Y1515 WeakPolarHBondContact O-CD2 3.49Å; R1511-Y1515 PolarHBondContact O-N 2.95Å; I1512-Y1515 PolarHBondContact O-N 3.15Å; Y1515-L1517 VanDerWaalsContact C-N 3.32Å; Y1515-L1517 PolarHBondContact O-N 3.29Å; Y1515-L1518 PolarHBondContact O-N 2.8Å; Y1515-L1519 WeakPolarHBondContact O-CB 3.44Å; Y1515-L1519 WeakPolarHBondContact O-CG 3.31Å; Y1515-L1519 PolarHBondContact O-N 3.47Å; Y1515-M1540 HydrophobicContact CD2-SD 3.62Å; Y1515-M1540 HydrophobicContact CE2-SD 4.43Å; Y1515-M1540 HydrophobicContact CG-SD 4.09Å |
| 1516 | Q | 90.6 | Very high | 85.9 | Confident | 34 Ų | 34 | 44.1 Ų | 44.1 | 16% | 0.159 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -58.2 | -44.2 | 177 | -64.4 | 168 | 4.6 | 0 | 0 | 111.9 | I1512 T1513 K1520 L1537 M1540 L1541 | I1512-Q1516 PolarHBondContact O-N 3.3Å; T1513-Q1516 PolarHBondContact O-N 3.33Å; Q1516-K1520 WeakPolarHBondContact O-CB 3.35Å; Q1516-K1520 PolarHBondContact O-N 3.06Å; Q1516-L1537 HydrophobicContact CB-CD1 4.22Å; Q1516-L1537 WeakPolarHBondContact O-CD1 3.27Å; Q1516-M1540 HydrophobicContact CG-CB 3.99Å; Q1516-M1540 PolarHBondContact NE2-O 3.1Å; Q1516-L1541 HydrophobicContact CG-CD2 4.1Å; Q1516-L1541 HydrophobicContact CG-CG 4.36Å |
| 1517 | L | 88 | Confident | 84.6 | Confident | 114 Ų | 114 | 45.5 Ų | 45.5 | 60% | 0.597 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -65.9 | -45.3 | 178.1 | -68.5 | 173 | 0 | 0 | 0 | 112 | T1513 K1514 Y1515 K1520 D1521 | T1513-L1517 WeakPolarHBondContact O-CG 3.25Å; T1513-L1517 PolarHBondContact O-N 2.91Å; T1513-L1517 VanDerWaalsContact O-N 3.16Å; K1514-L1517 PolarHBondContact O-N 3.27Å; Y1515-L1517 VanDerWaalsContact C-N 3.32Å; Y1515-L1517 PolarHBondContact O-N 3.29Å; L1517-K1520 PolarHBondContact O-N 2.85Å; L1517-D1521 WeakPolarHBondContact O-CB 3.35Å; L1517-D1521 PolarHBondContact O-N 3.27Å |
| 1518 | L | 88.7 | Confident | 82.9 | Confident | 11 Ų | 11 | 52.3 Ų | 52.3 | 6% | 0.058 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -68 | -43.5 | -180 | -71.2 | 175.1 | 0 | 0 | 0 | 112.5 | I1332 E1335 L1336 K1514 Y1515 K1520 D1521 L1522 | I1332-L1518 HydrophobicContact CG2-CD2 4.22Å; E1335-L1518 HydrophobicContact CG-CD2 3.72Å; L1336-L1518 HydrophobicContact CB-CD1 3.98Å; L1336-L1518 HydrophobicContact CD1-CB 4.43Å; L1336-L1518 HydrophobicContact CD1-CD1 3.51Å; L1336-L1518 HydrophobicContact CG-CD1 4.36Å; K1514-L1518 HydrophobicContact CD-CD1 4.16Å; K1514-L1518 HydrophobicContact CD-CG 4.06Å; K1514-L1518 HydrophobicContact CG-CD1 3.92Å; K1514-L1518 HydrophobicContact CG-CG 4.23Å; K1514-L1518 WeakPolarHBondContact O-CB 3.39Å; K1514-L1518 WeakPolarHBondContact O-CG 3.49Å; K1514-L1518 PolarHBondContact O-N 2.9Å; Y1515-L1518 PolarHBondContact O-N 2.8Å; L1518-K1520 VanDerWaalsContact C-N 3.32Å; L1518-K1520 PolarHBondContact O-N 3.01Å; L1518-D1521 PolarHBondContact O-N 2.86Å; L1518-L1522 VanDerWaalsContact O-CB 3.25Å; L1518-L1522 WeakPolarHBondContact O-CB 3.43Å; L1518-L1522 PolarHBondContact O-N 2.88Å |
| 1519 | L | 87.7 | Confident | 81 | Confident | 1 Ų | 1 | 62 Ų | 62 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 175.8 | -71.3 | 170.2 | 0 | 0 | 0 | 111.6 | V1433 F1437 Y1515 L1522 L1523 I1533 L1537 M1540 | V1433-L1519 HydrophobicContact CG1-CD2 4.13Å; F1437-L1519 HydrophobicContact CD1-CD1 4.41Å; F1437-L1519 HydrophobicContact CD2-CD1 3.97Å; F1437-L1519 HydrophobicContact CD2-CD2 4.09Å; F1437-L1519 HydrophobicContact CE1-CD1 4.47Å; F1437-L1519 HydrophobicContact CE2-CD1 4.05Å; F1437-L1519 HydrophobicContact CE2-CD2 3.9Å; F1437-L1519 HydrophobicContact CE2-CG 4.32Å; F1437-L1519 HydrophobicContact CG-CD1 4.16Å; F1437-L1519 HydrophobicContact CZ-CD1 4.3Å; Y1515-L1519 WeakPolarHBondContact O-CB 3.44Å; Y1515-L1519 WeakPolarHBondContact O-CG 3.31Å; Y1515-L1519 PolarHBondContact O-N 3.47Å; L1519-L1522 PolarHBondContact O-N 3.11Å; L1519-L1523 VanDerWaalsContact O-CB 3.28Å; L1519-L1523 WeakPolarHBondContact O-CB 3.33Å; L1519-L1523 PolarHBondContact O-N 3.43Å; L1519-I1533 HydrophobicContact CD2-CG2 4.41Å; L1519-L1537 HydrophobicContact CB-CB 4.21Å; L1519-L1537 HydrophobicContact CB-CD1 4.14Å; L1519-M1540 HydrophobicContact CD1-CB 4.42Å; L1519-M1540 HydrophobicContact CD1-CG 3.89Å |
| 1520 | K | 86.4 | Confident | 79.5 | Confident | 121 Ų | 121 | 65 Ų | 65 | 53% | 0.526 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -69.2 | -43.7 | 174.6 | -172.7 | 174.8 | -177.3 | 177.1 | 0 | 112.4 | Q1516 L1517 L1518 L1522 L1523 N1524 L1537 | Q1516-K1520 WeakPolarHBondContact O-CB 3.35Å; Q1516-K1520 PolarHBondContact O-N 3.06Å; L1517-K1520 PolarHBondContact O-N 2.85Å; L1518-K1520 VanDerWaalsContact C-N 3.32Å; L1518-K1520 PolarHBondContact O-N 3.01Å; K1520-L1522 VanDerWaalsContact C-N 3.29Å; K1520-L1522 PolarHBondContact O-N 3.1Å; K1520-L1523 PolarHBondContact O-N 2.97Å; K1520-N1524 WeakPolarHBondContact O-CB 3.44Å; K1520-N1524 PolarHBondContact O-N 3.34Å; K1520-N1524 PolarHBondContact O-ND2 3.06Å; K1520-N1524 VanDerWaalsContact O-ND2 3.16Å; K1520-L1537 HydrophobicContact CB-CD2 4.2Å |
| 1521 | D | 85 | Confident | 78.3 | Confident | 66 Ų | 66 | 61.9 Ų | 61.9 | 35% | 0.353 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -64.4 | -34.1 | 174.1 | -97.8 | 24.3 | 0 | 0 | 0 | 111.9 | R1328 I1332 L1517 L1518 C1525 | R1328-D1521 IonicContact NH2-OD2 3.62Å; I1332-D1521 HydrophobicContact CD1-CB 3.97Å; L1517-D1521 WeakPolarHBondContact O-CB 3.35Å; L1517-D1521 PolarHBondContact O-N 3.27Å; L1518-D1521 PolarHBondContact O-N 2.86Å; D1521-C1525 PolarHBondContact O-N 3.3Å; D1521-C1525 PolarHBondContact O-SG 2.81Å |
| 1522 | L | 83.8 | Confident | 77.2 | Confident | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.01 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -70.7 | -44.6 | 175.7 | -167.8 | 62.2 | 0 | 0 | 0 | 111.6 | K1329 I1332 P1430 V1433 L1518 L1519 K1520 N1524 C1525 C1526 I1533 | K1329-L1522 HydrophobicContact CB-CD1 4.06Å; K1329-L1522 HydrophobicContact CG-CD1 4.1Å; I1332-L1522 HydrophobicContact CB-CD1 4.2Å; I1332-L1522 HydrophobicContact CG2-CB 3.95Å; I1332-L1522 HydrophobicContact CG2-CD1 4.01Å; I1332-L1522 HydrophobicContact CG2-CG 4.48Å; P1430-L1522 HydrophobicContact CB-CD1 4.25Å; P1430-L1522 HydrophobicContact CB-CD2 4.48Å; P1430-L1522 WeakPolarHBondContact O-CD2 3.43Å; V1433-L1522 HydrophobicContact CG1-CD2 3.6Å; L1518-L1522 VanDerWaalsContact O-CB 3.25Å; L1518-L1522 WeakPolarHBondContact O-CB 3.43Å; L1518-L1522 PolarHBondContact O-N 2.88Å; L1519-L1522 PolarHBondContact O-N 3.11Å; K1520-L1522 VanDerWaalsContact C-N 3.29Å; K1520-L1522 PolarHBondContact O-N 3.1Å; L1522-N1524 VanDerWaalsContact C-N 3.28Å; L1522-N1524 PolarHBondContact O-N 2.77Å; L1522-C1525 CarbonylContact O-C 3.58Å; L1522-C1525 WeakPolarHBondContact O-CA 3.42Å; L1522-C1525 WeakPolarHBondContact O-CB 3.43Å; L1522-C1525 PolarHBondContact O-N 3.24Å; L1522-C1526 PolarHBondContact O-N 3.15Å; L1522-I1533 HydrophobicContact CD2-CD1 4.13Å; L1522-I1533 HydrophobicContact CG-CD1 4.18Å |
| 1523 | L | 81.7 | Confident | 76.8 | Confident | 46 Ų | 46 | 64.5 Ų | 64.5 | 24% | 0.241 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56.8 | -42.6 | 173.2 | -172.8 | 63.3 | 0 | 0 | 0 | 111.2 | L1519 K1520 C1525 C1526 I1533 L1537 | L1519-L1523 VanDerWaalsContact O-CB 3.28Å; L1519-L1523 WeakPolarHBondContact O-CB 3.33Å; L1519-L1523 PolarHBondContact O-N 3.43Å; K1520-L1523 PolarHBondContact O-N 2.97Å; L1523-C1525 PolarHBondContact O-N 3.46Å; L1523-C1525 VanDerWaalsContact O-N 3.17Å; L1523-C1526 PolarHBondContact O-N 3.44Å; L1523-I1533 HydrophobicContact CB-CG2 3.85Å; L1523-I1533 HydrophobicContact CD1-CB 4.36Å; L1523-I1533 HydrophobicContact CD1-CG2 4.06Å; L1523-I1533 HydrophobicContact CG-CG2 4.47Å; L1523-L1537 HydrophobicContact CD2-CD2 4.2Å |
| 1524 | N | 79.7 | Confident | 76.7 | Confident | 112 Ų | 112 | 68.5 Ų | 68.5 | 60% | 0.599 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.6 | 174.1 | -67 | -26 | 0 | 0 | 0 | 114.3 | K1520 L1522 | K1520-N1524 WeakPolarHBondContact O-CB 3.44Å; K1520-N1524 PolarHBondContact O-N 3.34Å; K1520-N1524 PolarHBondContact O-ND2 3.06Å; K1520-N1524 VanDerWaalsContact O-ND2 3.16Å; L1522-N1524 VanDerWaalsContact C-N 3.28Å; L1522-N1524 PolarHBondContact O-N 2.77Å |
| 1525 | C | 75.1 | Confident | 76.4 | Confident | 23 Ų | 23 | 69.1 Ų | 69.1 | 16% | 0.155 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.5 | -21.6 | 176.2 | -61.3 | 0 | 0 | 0 | 0 | 112.8 | S1325 R1328 K1329 D1521 L1522 L1523 | S1325-C1525 PolarHBondContact OG-O 3.27Å; R1328-C1525 WeakPolarHBondContact CG-SG 3.42Å; K1329-C1525 WeakPolarHBondContact CE-O 3.46Å; K1329-C1525 HydrophobicContact CG-CB 3.79Å; D1521-C1525 PolarHBondContact O-N 3.3Å; D1521-C1525 PolarHBondContact O-SG 2.81Å; L1522-C1525 CarbonylContact O-C 3.58Å; L1522-C1525 WeakPolarHBondContact O-CA 3.42Å; L1522-C1525 WeakPolarHBondContact O-CB 3.43Å; L1522-C1525 PolarHBondContact O-N 3.24Å; L1523-C1525 PolarHBondContact O-N 3.46Å; L1523-C1525 VanDerWaalsContact O-N 3.17Å |
| 1526 | C | 69.6 | Low | 76 | Confident | 15 Ų | 15 | 69.1 Ų | 69.1 | 10% | 0.101 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -76.6 | 159.4 | 172.2 | -72.4 | 0 | 0 | 0 | 0 | 111.7 | K1329 L1522 L1523 I1533 | K1329-C1526 VanDerWaalsContact CE-SG 3.58Å; K1329-C1526 PolarHBondContact NZ-SG 3.41Å; K1329-C1526 VanDerWaalsContact NZ-SG 3.4Å; L1522-C1526 PolarHBondContact O-N 3.15Å; L1523-C1526 PolarHBondContact O-N 3.44Å; C1526-I1533 HydrophobicContact CB-CD1 4.49Å |
| 1527 | E | 59.9 | Low | 75.9 | Confident | 93 Ų | 93 | 68.4 Ų | 68.4 | 44% | 0.435 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 139.5 | 163.4 | -68.5 | 165.6 | 168.1 | 0 | 0 | 106.3 | K1322 K1530 | K1322-E1527 IonicContact NZ-OE1 3.19Å; K1322-E1527 PolarHBondContact NZ-OE1 2.93Å; E1527-K1530 HydrophobicContact CB-CD 4.4Å; E1527-K1530 PolarHBondContact O-N 3.43Å; E1527-K1530 IonicContact OE2-NZ 3.05Å; E1527-K1530 PolarHBondContact OE2-NZ 3.01Å |
| 1528 | E | 52.2 | Low | 75.7 | Confident | 171 Ų | 171 | 69.1 Ų | 69.1 | 80% | 0.799 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | 157.1 | 175.1 | -61.8 | -165.2 | 139.9 | 0 | 0 | 110.4 | K1530 | E1528-K1530 VanDerWaalsContact C-N 3.29Å; E1528-K1530 PolarHBondContact O-N 3.3Å |
| 1529 | E | 52.8 | Low | 75.5 | Confident | 203 Ų | 203 | 70.3 Ų | 70.3 | 95% | 0.949 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | -3.2 | -173.3 | -47 | -174.7 | 157.5 | 0 | 0 | 117 | ||
| 1530 | K | 53.6 | Low | 75.6 | Confident | 110 Ų | 110 | 70.2 Ų | 70.2 | 48% | 0.478 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -99.2 | 111.4 | 177 | -72.3 | 179.4 | -177.4 | 167.7 | 0 | 114.1 | E1527 E1528 | E1527-K1530 HydrophobicContact CB-CD 4.4Å; E1527-K1530 PolarHBondContact O-N 3.43Å; E1527-K1530 IonicContact OE2-NZ 3.05Å; E1527-K1530 PolarHBondContact OE2-NZ 3.01Å; E1528-K1530 VanDerWaalsContact C-N 3.29Å; E1528-K1530 PolarHBondContact O-N 3.3Å |
| 1531 | G | 63.7 | Low | 75.5 | Confident | 36 Ų | 36 | 68 Ų | 68 | 37% | 0.371 | 34% | 0.341 | S | S | . | . | S | Bend | trans | 81.6 | 160.9 | 170 | 0 | 0 | 0 | 0 | 0 | 115 | E1431 I1533 | E1431-G1531 WeakPolarHBondContact O-CA 3.33Å; G1531-I1533 PolarHBondContact O-N 3.44Å |
| 1532 | E | 70.4 | Confident | 75.4 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 32% | 0.322 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | 19.5 | -176.6 | -63.6 | -177.2 | -169.2 | 0 | 0 | 113.5 | G1434 H1435 V1438 K1534 D1535 G1536 | G1434-E1532 WeakPolarHBondContact CA-O 3.35Å; H1435-E1532 WeakPolarHBondContact CA-OE2 3.48Å; H1435-E1532 HydrophobicContact CB-CB 4.41Å; H1435-E1532 IonicContact CE1-OE2 3.2Å; H1435-E1532 IonicContact CG-OE2 2.95Å; H1435-E1532 VanDerWaalsContact ND1-CD 3.3Å; H1435-E1532 IonicContact ND1-OE1 2.67Å; H1435-E1532 PolarHBondContact ND1-OE1 3.01Å; H1435-E1532 IonicContact ND1-OE2 2.67Å; H1435-E1532 PolarHBondContact ND1-OE2 3.34Å; V1438-E1532 HydrophobicContact CG2-CB 4.48Å; E1532-K1534 VanDerWaalsContact C-N 3.27Å; E1532-K1534 PolarHBondContact O-N 3.02Å; E1532-D1535 PolarHBondContact O-N 3.01Å; E1532-G1536 PolarHBondContact O-N 3.45Å |
| 1533 | I | 80.1 | Confident | 75.5 | Confident | 0 Ų | 0 | 68.7 Ų | 68.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.3 | -40.1 | -178.8 | -67.1 | 167 | 0 | 0 | 0 | 111.3 | E1431 V1433 L1519 L1522 L1523 C1526 G1531 L1537 | E1431-I1533 WeakPolarHBondContact O-CD1 3.39Å; E1431-I1533 VanDerWaalsContact O-CG1 3.31Å; E1431-I1533 WeakPolarHBondContact O-CG1 3.28Å; V1433-I1533 HydrophobicContact CG1-CG1 4.46Å; L1519-I1533 HydrophobicContact CD2-CG2 4.41Å; L1522-I1533 HydrophobicContact CD2-CD1 4.13Å; L1522-I1533 HydrophobicContact CG-CD1 4.18Å; L1523-I1533 HydrophobicContact CB-CG2 3.85Å; L1523-I1533 HydrophobicContact CD1-CB 4.36Å; L1523-I1533 HydrophobicContact CD1-CG2 4.06Å; L1523-I1533 HydrophobicContact CG-CG2 4.47Å; C1526-I1533 HydrophobicContact CB-CD1 4.49Å; G1531-I1533 PolarHBondContact O-N 3.44Å; I1533-L1537 VanDerWaalsContact O-CB 3.24Å; I1533-L1537 WeakPolarHBondContact O-CB 3.27Å; I1533-L1537 PolarHBondContact O-N 3.28Å |
| 1534 | K | 82.2 | Confident | 75.4 | Confident | 146 Ų | 146 | 68.6 Ų | 68.6 | 64% | 0.635 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.9 | -42.2 | 179.3 | -172.7 | 177.5 | 178.5 | 179.7 | 0 | 111.5 | E1532 L1537 E1538 | E1532-K1534 VanDerWaalsContact C-N 3.27Å; E1532-K1534 PolarHBondContact O-N 3.02Å; K1534-L1537 WeakPolarHBondContact O-CB 3.45Å; K1534-L1537 PolarHBondContact O-N 2.97Å; K1534-E1538 PolarHBondContact O-N 3.21Å |
| 1535 | D | 80.3 | Confident | 75.4 | Confident | 78 Ų | 78 | 69 Ų | 69 | 42% | 0.417 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -74.4 | -41.5 | -177.8 | -46.8 | -37.6 | 0 | 0 | 0 | 110.4 | V1438 E1532 L1537 E1538 V1539 | V1438-D1535 HydrophobicContact CG2-CB 3.82Å; E1532-D1535 PolarHBondContact O-N 3.01Å; D1535-L1537 VanDerWaalsContact C-N 3.3Å; D1535-L1537 PolarHBondContact O-N 3.4Å; D1535-E1538 PolarHBondContact O-N 2.95Å; D1535-E1538 VanDerWaalsContact O-N 3.13Å; D1535-V1539 WeakPolarHBondContact O-CG2 3.27Å; D1535-V1539 PolarHBondContact O-N 3.08Å |
| 1536 | G | 83.8 | Confident | 75.7 | Confident | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.9 | -37 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113 | E1532 M1540 | E1532-G1536 PolarHBondContact O-N 3.45Å; G1536-M1540 WeakPolarHBondContact O-CG 3.44Å; G1536-M1540 PolarHBondContact O-N 3.34Å |
| 1537 | L | 88.5 | Confident | 76 | Confident | 19 Ų | 19 | 70 Ų | 70 | 10% | 0.099 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.7 | -39.2 | 172.1 | 176.2 | 60.1 | 0 | 0 | 0 | 111.6 | Q1516 L1519 K1520 L1523 I1533 K1534 D1535 M1540 L1541 | Q1516-L1537 HydrophobicContact CB-CD1 4.22Å; Q1516-L1537 WeakPolarHBondContact O-CD1 3.27Å; L1519-L1537 HydrophobicContact CB-CB 4.21Å; L1519-L1537 HydrophobicContact CB-CD1 4.14Å; K1520-L1537 HydrophobicContact CB-CD2 4.2Å; L1523-L1537 HydrophobicContact CD2-CD2 4.2Å; I1533-L1537 VanDerWaalsContact O-CB 3.24Å; I1533-L1537 WeakPolarHBondContact O-CB 3.27Å; I1533-L1537 PolarHBondContact O-N 3.28Å; K1534-L1537 WeakPolarHBondContact O-CB 3.45Å; K1534-L1537 PolarHBondContact O-N 2.97Å; D1535-L1537 VanDerWaalsContact C-N 3.3Å; D1535-L1537 PolarHBondContact O-N 3.4Å; L1537-M1540 PolarHBondContact O-N 2.78Å; L1537-L1541 HydrophobicContact CD1-CD1 4.12Å; L1537-L1541 HydrophobicContact CD1-CG 4.12Å; L1537-L1541 HydrophobicContact CG-CD1 3.94Å; L1537-L1541 HydrophobicContact CG-CG 4.41Å; L1537-L1541 WeakPolarHBondContact O-CB 3.39Å; L1537-L1541 VanDerWaalsContact O-CG 3.25Å; L1537-L1541 WeakPolarHBondContact O-CG 3.42Å; L1537-L1541 PolarHBondContact O-N 3.22Å |
| 1538 | E | 84.6 | Confident | 76.9 | Confident | 129 Ų | 129 | 69.1 Ų | 69.1 | 60% | 0.603 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -63.5 | -45.2 | 174.7 | -179.2 | 162.1 | -160.6 | 0 | 0 | 112.1 | K1534 D1535 M1540 L1541 N1542 | K1534-E1538 PolarHBondContact O-N 3.21Å; D1535-E1538 PolarHBondContact O-N 2.95Å; D1535-E1538 VanDerWaalsContact O-N 3.13Å; E1538-M1540 VanDerWaalsContact C-N 3.3Å; E1538-M1540 PolarHBondContact O-N 3.03Å; E1538-L1541 PolarHBondContact O-N 3.24Å; E1538-L1541 VanDerWaalsContact O-N 3.15Å; E1538-N1542 WeakPolarHBondContact O-CB 3.24Å; E1538-N1542 PolarHBondContact O-N 3.03Å |
| 1539 | V | 84.8 | Confident | 78.2 | Confident | 36 Ų | 36 | 62.4 Ų | 62.4 | 22% | 0.218 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -55.8 | -46.6 | 173 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | A1441 D1535 L1541 N1542 V1543 | A1441-V1539 HydrophobicContact CB-CG1 3.67Å; A1441-V1539 HydrophobicContact CB-CG2 4.21Å; D1535-V1539 WeakPolarHBondContact O-CG2 3.27Å; D1535-V1539 PolarHBondContact O-N 3.08Å; V1539-L1541 PolarHBondContact O-N 2.97Å; V1539-N1542 PolarHBondContact O-N 3.39Å; V1539-V1543 PolarHBondContact O-N 3.11Å |
| 1540 | M | 88.9 | Confident | 79.2 | Confident | 0 Ų | 0 | 54.1 Ų | 54.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.8 | -31.3 | 177.8 | -70.4 | -62.5 | 97.7 | 0 | 0 | 113.9 | F1437 F1444 Y1515 Q1516 L1519 G1536 L1537 E1538 N1542 V1543 P1544 | F1437-M1540 HydrophobicContact CD1-CE 3.95Å; F1437-M1540 HydrophobicContact CD1-CG 3.68Å; F1437-M1540 HydrophobicContact CD1-SD 3.67Å; F1437-M1540 HydrophobicContact CE1-CG 4.15Å; F1437-M1540 HydrophobicContact CE1-SD 3.97Å; F1437-M1540 HydrophobicContact CG-CG 4.32Å; F1444-M1540 HydrophobicContact CB-CE 4.35Å; F1444-M1540 HydrophobicContact CD1-CE 3.73Å; F1444-M1540 HydrophobicContact CD1-SD 4.46Å; F1444-M1540 HydrophobicContact CD2-CE 3.58Å; F1444-M1540 HydrophobicContact CE1-CE 3.8Å; F1444-M1540 HydrophobicContact CE1-SD 4.19Å; F1444-M1540 HydrophobicContact CE2-CE 3.64Å; F1444-M1540 HydrophobicContact CG-CE 3.63Å; F1444-M1540 HydrophobicContact CZ-CE 3.75Å; F1444-M1540 HydrophobicContact CZ-SD 4.36Å; Y1515-M1540 HydrophobicContact CD2-SD 3.62Å; Y1515-M1540 HydrophobicContact CE2-SD 4.43Å; Y1515-M1540 HydrophobicContact CG-SD 4.09Å; Q1516-M1540 HydrophobicContact CG-CB 3.99Å; Q1516-M1540 PolarHBondContact NE2-O 3.1Å; L1519-M1540 HydrophobicContact CD1-CB 4.42Å; L1519-M1540 HydrophobicContact CD1-CG 3.89Å; G1536-M1540 WeakPolarHBondContact O-CG 3.44Å; G1536-M1540 PolarHBondContact O-N 3.34Å; L1537-M1540 PolarHBondContact O-N 2.78Å; E1538-M1540 VanDerWaalsContact C-N 3.3Å; E1538-M1540 PolarHBondContact O-N 3.03Å; M1540-N1542 VanDerWaalsContact C-N 3.33Å; M1540-V1543 HydrophobicContact CE-CG2 4.29Å; M1540-P1544 VanDerWaalsContact O-CD 3.25Å; M1540-P1544 WeakPolarHBondContact O-CD 3.38Å |
| 1541 | L | 85.5 | Confident | 80.4 | Confident | 73 Ų | 73 | 52 Ų | 52 | 38% | 0.382 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -72.7 | -24 | 172.4 | -74.7 | 167.6 | 0 | 0 | 0 | 112.7 | Q1516 L1537 E1538 V1539 K1545 | Q1516-L1541 HydrophobicContact CG-CD2 4.1Å; Q1516-L1541 HydrophobicContact CG-CG 4.36Å; L1537-L1541 HydrophobicContact CD1-CD1 4.12Å; L1537-L1541 HydrophobicContact CD1-CG 4.12Å; L1537-L1541 HydrophobicContact CG-CD1 3.94Å; L1537-L1541 HydrophobicContact CG-CG 4.41Å; L1537-L1541 WeakPolarHBondContact O-CB 3.39Å; L1537-L1541 VanDerWaalsContact O-CG 3.25Å; L1537-L1541 WeakPolarHBondContact O-CG 3.42Å; L1537-L1541 PolarHBondContact O-N 3.22Å; E1538-L1541 PolarHBondContact O-N 3.24Å; E1538-L1541 VanDerWaalsContact O-N 3.15Å; V1539-L1541 PolarHBondContact O-N 2.97Å; L1541-K1545 WeakPolarHBondContact O-CG 3.45Å |
| 1542 | N | 82.2 | Confident | 80.9 | Confident | 74 Ų | 74 | 52.7 Ų | 52.7 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -79.2 | -33.8 | -179.2 | -158 | 7.7 | 0 | 0 | 0 | 113.1 | E1538 V1539 M1540 K1545 K1546 | E1538-N1542 WeakPolarHBondContact O-CB 3.24Å; E1538-N1542 PolarHBondContact O-N 3.03Å; V1539-N1542 PolarHBondContact O-N 3.39Å; M1540-N1542 VanDerWaalsContact C-N 3.33Å; N1542-K1545 WeakPolarHBondContact O-CB 3.27Å; N1542-K1545 PolarHBondContact O-N 3.17Å; N1542-K1545 VanDerWaalsContact O-N 3.1Å; N1542-K1546 PolarHBondContact O-N 3.43Å |
| 1543 | V | 85.5 | Confident | 81.1 | Confident | 9 Ų | 9 | 50.1 Ų | 50.1 | 6% | 0.055 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -54.1 | -50.6 | -179.2 | 174.8 | 0 | 0 | 0 | 0 | 113.2 | F1444 V1448 I1512 V1539 M1540 A1547 | F1444-V1543 HydrophobicContact CB-CG2 3.86Å; V1448-V1543 HydrophobicContact CG2-CG1 3.98Å; I1512-V1543 HydrophobicContact CD1-CG1 4.1Å; I1512-V1543 HydrophobicContact CG1-CG1 4.38Å; I1512-V1543 HydrophobicContact CG2-CB 4.09Å; I1512-V1543 HydrophobicContact CG2-CG1 3.98Å; V1539-V1543 PolarHBondContact O-N 3.11Å; M1540-V1543 HydrophobicContact CE-CG2 4.29Å; V1543-A1547 PolarHBondContact O-N 3.39Å |
| 1544 | P | 80.6 | Confident | 80.8 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 29% | 0.286 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -77.1 | -18.1 | 177.2 | 25.2 | -26.2 | 0 | 0 | 0 | 114.4 | I1512 M1540 N1548 | I1512-P1544 HydrophobicContact CG2-CG 4.31Å; M1540-P1544 VanDerWaalsContact O-CD 3.25Å; M1540-P1544 WeakPolarHBondContact O-CD 3.38Å; P1544-N1548 WeakPolarHBondContact O-CB 3.5Å; P1544-N1548 PolarHBondContact O-N 2.98Å |
| 1545 | K | 79.3 | Confident | 80.6 | Confident | 121 Ų | 121 | 49.6 Ų | 49.6 | 53% | 0.526 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.6 | -59.5 | 168.9 | -69.3 | 175.8 | -175.6 | 177.4 | 0 | 109.3 | L1541 N1542 A1547 N1548 D1549 | L1541-K1545 WeakPolarHBondContact O-CG 3.45Å; N1542-K1545 WeakPolarHBondContact O-CB 3.27Å; N1542-K1545 PolarHBondContact O-N 3.17Å; N1542-K1545 VanDerWaalsContact O-N 3.1Å; K1545-A1547 PolarHBondContact O-N 3.22Å; K1545-A1547 VanDerWaalsContact O-N 3.14Å; K1545-N1548 WeakPolarHBondContact O-CA 3.44Å; K1545-N1548 WeakPolarHBondContact O-CB 3.44Å; K1545-N1548 PolarHBondContact O-N 3.28Å; K1545-D1549 PolarHBondContact O-N 3.46Å |
| 1546 | K | 80.6 | Confident | 80.5 | Confident | 48 Ų | 48 | 46.5 Ų | 46.5 | 21% | 0.209 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -51.9 | -41.7 | 176.3 | -68 | -158.8 | 176.4 | -160.7 | 0 | 112.7 | V1448 N1542 D1549 I1550 D1567 | V1448-K1546 HydrophobicContact CG1-CB 4.1Å; V1448-K1546 HydrophobicContact CG2-CB 4.25Å; N1542-K1546 PolarHBondContact O-N 3.43Å; K1546-D1549 PolarHBondContact O-N 3.32Å; K1546-I1550 WeakPolarHBondContact O-CB 3.46Å; K1546-I1550 WeakPolarHBondContact O-CD1 3.49Å; K1546-I1550 VanDerWaalsContact O-CG1 3.28Å; K1546-I1550 WeakPolarHBondContact O-CG1 3.25Å; K1546-I1550 PolarHBondContact O-N 3.12Å; K1546-D1567 IonicContact NZ-OD2 2.77Å; K1546-D1567 PolarHBondContact NZ-OD2 3.27Å |
| 1547 | A | 77.2 | Confident | 80.2 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 8% | 0.083 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.4 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V1448 C1451 V1543 K1545 L1551 | V1448-A1547 HydrophobicContact CG1-CB 4.38Å; C1451-A1547 HydrophobicContact CB-CB 3.59Å; V1543-A1547 PolarHBondContact O-N 3.39Å; K1545-A1547 PolarHBondContact O-N 3.22Å; K1545-A1547 VanDerWaalsContact O-N 3.14Å; A1547-L1551 WeakPolarHBondContact O-CB 3.45Å; A1547-L1551 PolarHBondContact O-N 2.84Å |
| 1548 | N | 77.7 | Confident | 79.5 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 41% | 0.406 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 176.3 | -175.4 | 79 | 0 | 0 | 0 | 112 | P1544 K1545 L1551 H1552 | P1544-N1548 WeakPolarHBondContact O-CB 3.5Å; P1544-N1548 PolarHBondContact O-N 2.98Å; K1545-N1548 WeakPolarHBondContact O-CA 3.44Å; K1545-N1548 WeakPolarHBondContact O-CB 3.44Å; K1545-N1548 PolarHBondContact O-N 3.28Å; N1548-L1551 PolarHBondContact O-N 3.1Å; N1548-H1552 PolarHBondContact ND2-CD2 2.98Å; N1548-H1552 PolarHBondContact O-CD2 2.78Å; N1548-H1552 VanDerWaalsContact O-CD2 3.32Å; N1548-H1552 PolarHBondContact O-N 3.28Å |
| 1549 | D | 80.1 | Confident | 78.7 | Confident | 30 Ų | 30 | 47.6 Ų | 47.6 | 16% | 0.16 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68 | -43.7 | 179.1 | -63 | -44.5 | 0 | 0 | 0 | 111.7 | K1545 K1546 L1551 H1552 L1553 V1568 Q1571 | K1545-D1549 PolarHBondContact O-N 3.46Å; K1546-D1549 PolarHBondContact O-N 3.32Å; D1549-L1551 VanDerWaalsContact C-N 3.3Å; D1549-L1551 PolarHBondContact O-N 2.78Å; D1549-H1552 PolarHBondContact O-N 3.41Å; D1549-L1553 VanDerWaalsContact O-CB 3.28Å; D1549-L1553 WeakPolarHBondContact O-CB 3.46Å; D1549-L1553 PolarHBondContact O-N 3.23Å; D1549-V1568 HydrophobicContact CB-CB 4.15Å; D1549-V1568 HydrophobicContact CB-CG1 4.24Å; D1549-Q1571 PolarHBondContact OD1-NE2 3.47Å |
| 1550 | I | 74.1 | Confident | 77.8 | Confident | 28 Ų | 28 | 50.1 Ų | 50.1 | 14% | 0.144 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.9 | -32.4 | 172.6 | -68 | 165.9 | 0 | 0 | 0 | 111.9 | V1448 R1452 K1546 L1553 S1554 | V1448-I1550 HydrophobicContact CG1-CD1 3.64Å; R1452-I1550 HydrophobicContact CB-CG2 4.33Å; R1452-I1550 HydrophobicContact CG-CG2 3.85Å; K1546-I1550 WeakPolarHBondContact O-CB 3.46Å; K1546-I1550 WeakPolarHBondContact O-CD1 3.49Å; K1546-I1550 VanDerWaalsContact O-CG1 3.28Å; K1546-I1550 WeakPolarHBondContact O-CG1 3.25Å; K1546-I1550 PolarHBondContact O-N 3.12Å; I1550-L1553 PolarHBondContact O-N 3.47Å; I1550-S1554 WeakPolarHBondContact O-CB 3.2Å; I1550-S1554 PolarHBondContact O-N 2.84Å |
| 1551 | L | 77.4 | Confident | 76.5 | Confident | 65 Ų | 65 | 56 Ų | 56 | 34% | 0.34 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 175.1 | -174.1 | 73.8 | 0 | 0 | 0 | 112.7 | P1455 A1547 N1548 D1549 S1554 | P1455-L1551 HydrophobicContact CG-CD1 4.09Å; A1547-L1551 WeakPolarHBondContact O-CB 3.45Å; A1547-L1551 PolarHBondContact O-N 2.84Å; N1548-L1551 PolarHBondContact O-N 3.1Å; D1549-L1551 VanDerWaalsContact C-N 3.3Å; D1549-L1551 PolarHBondContact O-N 2.78Å; L1551-S1554 PolarHBondContact O-OG 3.14Å; L1551-S1554 VanDerWaalsContact O-OG 3.05Å |
| 1552 | H | 74.9 | Confident | 75.6 | Confident | 52 Ų | 52 | 53.8 Ų | 53.8 | 24% | 0.241 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -71 | -36.7 | 172.8 | -78.5 | -61.4 | 0 | 0 | 0 | 111.9 | N1548 D1549 M1555 Q1571 F1592 Y1613 | N1548-H1552 PolarHBondContact ND2-CD2 2.98Å; N1548-H1552 PolarHBondContact O-CD2 2.78Å; N1548-H1552 VanDerWaalsContact O-CD2 3.32Å; N1548-H1552 PolarHBondContact O-N 3.28Å; D1549-H1552 PolarHBondContact O-N 3.41Å; H1552-M1555 PolarHBondContact O-N 2.96Å; H1552-Q1571 PolarHBondContact CD2-NE2 2.84Å; H1552-Q1571 VanDerWaalsContact CD2-NE2 3.29Å; H1552-F1592 HydrophobicContact CB-CE1 4.34Å; H1552-Y1613 HydrophobicContact CB-CE2 4.22Å; H1552-Y1613 AromaticContact ND1-CE2 3.76Å; H1552-Y1613 AromaticContact ND1-CZ 3.97Å; H1552-Y1613 PolarHBondContact ND1-OH 3.2Å |
| 1553 | L | 74.4 | Confident | 74.7 | Confident | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.073 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 177.6 | -174 | 65.5 | 0 | 0 | 0 | 112.7 | D1549 I1550 M1555 L1556 V1562 V1568 F1592 F1594 | D1549-L1553 VanDerWaalsContact O-CB 3.28Å; D1549-L1553 WeakPolarHBondContact O-CB 3.46Å; D1549-L1553 PolarHBondContact O-N 3.23Å; I1550-L1553 PolarHBondContact O-N 3.47Å; L1553-M1555 PolarHBondContact O-N 3.45Å; L1553-M1555 VanDerWaalsContact O-N 3.11Å; L1553-L1556 HydrophobicContact CD1-CB 4.49Å; L1553-L1556 HydrophobicContact CD1-CD2 3.97Å; L1553-L1556 WeakPolarHBondContact O-CB 3.46Å; L1553-L1556 PolarHBondContact O-N 3.15Å; L1553-V1562 HydrophobicContact CD1-CG1 3.74Å; L1553-V1562 HydrophobicContact CD2-CG1 3.57Å; L1553-V1562 HydrophobicContact CG-CG1 3.47Å; L1553-V1562 VanDerWaalsContact CG-CG1 3.47Å; L1553-V1568 HydrophobicContact CB-CG2 4.5Å; L1553-V1568 HydrophobicContact CD1-CG2 4.3Å; L1553-V1568 HydrophobicContact CD2-CG2 3.88Å; L1553-V1568 HydrophobicContact CG-CG2 4.45Å; L1553-F1592 HydrophobicContact CD1-CD1 4.5Å; L1553-F1594 HydrophobicContact CD1-CE1 4.31Å; L1553-F1594 HydrophobicContact CD1-CZ 3.73Å; L1553-F1594 HydrophobicContact CD2-CE1 4.07Å; L1553-F1594 HydrophobicContact CD2-CZ 4.33Å |
| 1554 | S | 74 | Confident | 73.7 | Confident | 73 Ų | 73 | 58.6 Ų | 58.6 | 51% | 0.51 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -12 | 176.7 | 71.1 | 0 | 0 | 0 | 0 | 113.8 | I1550 L1551 | I1550-S1554 WeakPolarHBondContact O-CB 3.2Å; I1550-S1554 PolarHBondContact O-N 2.84Å; L1551-S1554 PolarHBondContact O-OG 3.14Å; L1551-S1554 VanDerWaalsContact O-OG 3.05Å |
| 1555 | M | 78.7 | Confident | 72.9 | Confident | 63 Ų | 63 | 56.9 Ų | 56.9 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 15.2 | 171.8 | -57.3 | -156.8 | -62.3 | 0 | 0 | 113.4 | H1552 L1553 T1611 Y1613 | H1552-M1555 PolarHBondContact O-N 2.96Å; L1553-M1555 PolarHBondContact O-N 3.45Å; L1553-M1555 VanDerWaalsContact O-N 3.11Å; M1555-T1611 VanDerWaalsContact CE-O 3.24Å; M1555-T1611 WeakPolarHBondContact CE-O 3.48Å; M1555-T1611 VanDerWaalsContact SD-O 3.36Å; M1555-Y1613 HydrophobicContact CB-CD2 4.3Å; M1555-Y1613 PolarHBondContact O-N 3.07Å |
| 1556 | L | 78.4 | Confident | 72.3 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.063 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 97.1 | 173.3 | -178.3 | 61.2 | 0 | 0 | 0 | 111.8 | L1553 C1559 F1592 V1599 Y1613 | L1553-L1556 HydrophobicContact CD1-CB 4.49Å; L1553-L1556 HydrophobicContact CD1-CD2 3.97Å; L1553-L1556 WeakPolarHBondContact O-CB 3.46Å; L1553-L1556 PolarHBondContact O-N 3.15Å; L1556-C1559 HydrophobicContact CD2-CB 4.2Å; L1556-C1559 HydrophobicContact CG-CB 4.34Å; L1556-F1592 HydrophobicContact CD1-CE2 4.49Å; L1556-F1592 HydrophobicContact CD2-CE2 4.5Å; L1556-V1599 HydrophobicContact CD2-CG1 4.13Å; L1556-Y1613 CarbonylContact C-O 3.54Å; L1556-Y1613 WeakPolarHBondContact CA-O 3.43Å |
| 1557 | E | 76.3 | Confident | 71.7 | Confident | 83 Ų | 83 | 54 Ų | 54 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 139.8 | 178 | -65.4 | -179.3 | 160 | 0 | 0 | 112.3 | F1604 K1612 Y1613 Y1615 | E1557-F1604 WeakPolarHBondContact OE2-CZ 3.24Å; E1557-K1612 WeakPolarHBondContact OE1-CD 3.46Å; E1557-K1612 WeakPolarHBondContact OE1-CE 3.26Å; E1557-K1612 IonicContact OE1-NZ 2.71Å; E1557-K1612 PolarHBondContact OE1-NZ 2.85Å; E1557-Y1613 PolarHBondContact N-O 2.96Å; E1557-Y1615 PolarHBondContact O-N 3.12Å |
| 1558 | G | 75.2 | Confident | 71.7 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 68% | 0.68 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87 | 8.9 | 172.5 | 0 | 0 | 0 | 0 | 0 | 116 | Y1615 | G1558-Y1615 VanDerWaalsContact O-CD1 3.24Å; G1558-Y1615 WeakPolarHBondContact O-CD1 3.17Å |
| 1559 | C | 67.2 | Low | 71.7 | Confident | 22 Ų | 22 | 52.9 Ų | 52.9 | 15% | 0.149 | 33% | 0.327 | C | S | . | . | trans | -98.2 | 129.9 | 162.3 | -167.4 | 0 | 0 | 0 | 0 | 108.7 | L1556 V1562 Y1615 | L1556-C1559 HydrophobicContact CD2-CB 4.2Å; L1556-C1559 HydrophobicContact CG-CB 4.34Å; C1559-V1562 HydrophobicContact CB-CG2 3.91Å; C1559-Y1615 HydrophobicContact CB-CD2 4.11Å; C1559-Y1615 HydrophobicContact CB-CG 4.18Å | ||
| 1560 | S | 65.2 | Low | 72 | Confident | 90 Ų | 90 | 53.3 Ų | 53.3 | 63% | 0.629 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -81.1 | 156.5 | 168.8 | 54 | 0 | 0 | 0 | 0 | 110.7 | V1562 | S1560-V1562 VanDerWaalsContact C-N 3.33Å; S1560-V1562 PolarHBondContact O-N 3.15Å |
| 1561 | D | 62.9 | Low | 72.6 | Confident | 124 Ų | 124 | 53.5 Ų | 53.5 | 66% | 0.663 | 33% | 0.329 | S | S | * | . | trans | 50.1 | 45.2 | 172.6 | -49.8 | -36.9 | 0 | 0 | 0 | 114.9 | D1563 A1564 | D1561-D1563 PolarHBondContact O-N 3.32Å; D1561-A1564 HydrophobicContact CB-CB 4.02Å; D1561-A1564 WeakPolarHBondContact O-CB 3.42Å; D1561-A1564 PolarHBondContact O-N 2.96Å | ||
| 1562 | V | 66.4 | Low | 73.2 | Confident | 25 Ų | 25 | 53 Ų | 53 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -57.2 | -47.4 | -179.1 | 173.5 | 0 | 0 | 0 | 0 | 112.4 | L1553 C1559 S1560 A1564 L1565 | L1553-V1562 HydrophobicContact CD1-CG1 3.74Å; L1553-V1562 HydrophobicContact CD2-CG1 3.57Å; L1553-V1562 HydrophobicContact CG-CG1 3.47Å; L1553-V1562 VanDerWaalsContact CG-CG1 3.47Å; C1559-V1562 HydrophobicContact CB-CG2 3.91Å; S1560-V1562 VanDerWaalsContact C-N 3.33Å; S1560-V1562 PolarHBondContact O-N 3.15Å; V1562-A1564 PolarHBondContact O-N 2.94Å; V1562-L1565 PolarHBondContact O-N 3.44Å |
| 1563 | D | 62.9 | Low | 73.9 | Confident | 114 Ų | 114 | 54.2 Ų | 54.2 | 61% | 0.61 | 33% | 0.332 | S | S | * | . | G | 310 helix | trans | -69.1 | -9 | 178.3 | -55.5 | -92.8 | 0 | 0 | 0 | 112.9 | R1452 D1561 | R1452-D1563 IonicContact CZ-OD1 3.95Å; R1452-D1563 IonicContact NH1-OD1 3.88Å; R1452-D1563 PolarHBondContact NH1-OD1 3.46Å; R1452-D1563 IonicContact NH2-OD1 3.94Å; R1452-D1563 PolarHBondContact NH2-OD1 3.09Å; R1452-D1563 IonicContact NH2-OD2 3.95Å; D1561-D1563 PolarHBondContact O-N 3.32Å |
| 1564 | A | 65.1 | Low | 74.9 | Confident | 71 Ų | 71 | 53.6 Ų | 53.6 | 59% | 0.587 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -90.9 | -3.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | D1561 V1562 G1566 | D1561-A1564 HydrophobicContact CB-CB 4.02Å; D1561-A1564 WeakPolarHBondContact O-CB 3.42Å; D1561-A1564 PolarHBondContact O-N 2.96Å; V1562-A1564 PolarHBondContact O-N 2.94Å; A1564-G1566 VanDerWaalsContact C-N 3.32Å |
| 1565 | L | 63.4 | Low | 75.8 | Confident | 7 Ų | 7 | 53 Ų | 53 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | S | Bend | trans | -81.8 | -9.8 | 178.8 | -55.3 | -177.6 | 0 | 0 | 0 | 113.5 | V1562 F1594 V1599 | V1562-L1565 PolarHBondContact O-N 3.44Å; L1565-F1594 HydrophobicContact CB-CB 4.49Å; L1565-F1594 HydrophobicContact CB-CD1 3.53Å; L1565-F1594 HydrophobicContact CB-CD2 4.33Å; L1565-F1594 HydrophobicContact CB-CE1 3.65Å; L1565-F1594 HydrophobicContact CB-CE2 4.44Å; L1565-F1594 HydrophobicContact CB-CG 3.88Å; L1565-F1594 HydrophobicContact CB-CZ 4.12Å; L1565-F1594 HydrophobicContact CD1-CD2 4.31Å; L1565-F1594 HydrophobicContact CD1-CE1 4.14Å; L1565-F1594 HydrophobicContact CD1-CE2 3.84Å; L1565-F1594 HydrophobicContact CD1-CZ 3.74Å; L1565-F1594 WeakPolarHBondContact O-CB 3.42Å; L1565-V1599 HydrophobicContact CD1-CG2 4.23Å |
| 1566 | G | 65.5 | Low | 76.4 | Confident | 42 Ų | 42 | 50.6 Ų | 50.6 | 43% | 0.433 | 31% | 0.308 | S | S | . | . | trans | 88.2 | -168 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113 | A1564 | A1564-G1566 VanDerWaalsContact C-N 3.32Š| ||
| 1567 | D | 68.4 | Low | 76.9 | Confident | 66 Ų | 66 | 53.3 Ų | 53.3 | 35% | 0.353 | 32% | 0.317 | S | S | . | . | trans | -69.3 | 146.1 | 174.9 | -83.9 | -30.4 | 0 | 0 | 0 | 111.2 | K1546 L1569 | K1546-D1567 IonicContact NZ-OD2 2.77Å; K1546-D1567 PolarHBondContact NZ-OD2 3.27Å; D1567-L1569 PolarHBondContact O-N 3.02Å | ||
| 1568 | V | 76.6 | Confident | 76.7 | Confident | 16 Ų | 16 | 52.3 Ų | 52.3 | 10% | 0.097 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 122.3 | 166.5 | 173.4 | 0 | 0 | 0 | 0 | 108.4 | D1549 L1553 Q1571 F1592 F1594 | D1549-V1568 HydrophobicContact CB-CB 4.15Å; D1549-V1568 HydrophobicContact CB-CG1 4.24Å; L1553-V1568 HydrophobicContact CB-CG2 4.5Å; L1553-V1568 HydrophobicContact CD1-CG2 4.3Å; L1553-V1568 HydrophobicContact CD2-CG2 3.88Å; L1553-V1568 HydrophobicContact CG-CG2 4.45Å; V1568-Q1571 HydrophobicContact CG1-CB 4.29Å; V1568-Q1571 HydrophobicContact CG1-CG 4.48Å; V1568-F1592 HydrophobicContact CG1-CD1 4.36Å; V1568-F1592 HydrophobicContact CG2-CD1 4.44Å; V1568-F1594 HydrophobicContact CG2-CD1 4.04Å; V1568-F1594 HydrophobicContact CG2-CE1 3.45Å; V1568-F1594 VanDerWaalsContact CG2-CE1 3.45Å; V1568-F1594 HydrophobicContact CG2-CZ 3.78Å |
| 1569 | L | 79.2 | Confident | 76.3 | Confident | 47 Ų | 47 | 50.8 Ų | 50.8 | 25% | 0.246 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | -41.4 | 179.1 | -60.6 | 173 | 0 | 0 | 0 | 112.2 | D1567 L1593 D1595 R1667 L1671 | D1567-L1569 PolarHBondContact O-N 3.02Å; L1569-L1593 HydrophobicContact CB-CD2 4.5Å; L1569-L1593 HydrophobicContact CB-CG 4.35Å; L1569-L1593 HydrophobicContact CD1-CD2 4.46Å; L1569-L1593 HydrophobicContact CD1-CG 4.18Å; L1569-L1593 PolarHBondContact N-O 3.32Å; L1569-D1595 WeakPolarHBondContact CD1-OD1 3.4Å; L1569-R1667 HydrophobicContact CD1-CG 4.47Å; L1569-L1671 HydrophobicContact CD1-CD1 3.76Å; L1569-L1671 HydrophobicContact CD1-CD2 4.17Å; L1569-L1671 HydrophobicContact CD1-CG 4.42Å |
| 1570 | L | 86.7 | Confident | 76.3 | Confident | 40 Ų | 40 | 57.7 Ų | 57.7 | 21% | 0.209 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 145.7 | 179.1 | -66.8 | 175.7 | 0 | 0 | 0 | 109.3 | L1593 T1663 W1664 R1667 | L1570-L1593 HydrophobicContact CB-CB 4.3Å; L1570-L1593 HydrophobicContact CD1-CD2 4.27Å; L1570-L1593 PolarHBondContact O-N 2.92Å; L1570-T1663 HydrophobicContact CD1-CG2 4.41Å; L1570-T1663 HydrophobicContact CD2-CG2 4.29Å; L1570-W1664 HydrophobicContact CB-CD2 4.32Å; L1570-W1664 HydrophobicContact CB-CH2 3.99Å; L1570-W1664 HydrophobicContact CB-CZ2 3.61Å; L1570-W1664 HydrophobicContact CD1-CD2 3.9Å; L1570-W1664 HydrophobicContact CD1-CE3 4.42Å; L1570-W1664 HydrophobicContact CD1-CG 3.94Å; L1570-R1667 HydrophobicContact CD1-CB 3.82Å; L1570-R1667 HydrophobicContact CD1-CG 4.17Å |
| 1571 | Q | 86.2 | Confident | 76.1 | Confident | 31 Ų | 31 | 57 Ų | 57 | 15% | 0.145 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 137.1 | 166.3 | 56 | 159.8 | -32.1 | 0 | 0 | 111.4 | D1549 H1552 V1568 V1591 F1592 | D1549-Q1571 PolarHBondContact OD1-NE2 3.47Å; H1552-Q1571 PolarHBondContact CD2-NE2 2.84Å; H1552-Q1571 VanDerWaalsContact CD2-NE2 3.29Å; V1568-Q1571 HydrophobicContact CG1-CB 4.29Å; V1568-Q1571 HydrophobicContact CG1-CG 4.48Å; Q1571-V1591 VanDerWaalsContact CA-O 3.23Å; Q1571-V1591 WeakPolarHBondContact CA-O 3.29Å; Q1571-F1592 HydrophobicContact CB-CD1 3.64Å; Q1571-F1592 HydrophobicContact CB-CE1 3.98Å; Q1571-F1592 HydrophobicContact CB-CG 4.33Å; Q1571-F1592 HydrophobicContact CG-CD1 4.5Å; Q1571-F1592 VanDerWaalsContact OE1-CE1 3.29Å |
| 1572 | E | 88.8 | Confident | 75.7 | Confident | 54 Ų | 54 | 59.7 Ų | 59.7 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 165.9 | -178.4 | -151.2 | 165.3 | -178 | 0 | 0 | 112.4 | F1574 V1591 P1656 S1660 W1664 | E1572-F1574 HydrophobicContact CB-CD2 4.4Å; E1572-F1574 HydrophobicContact CB-CE2 3.78Å; E1572-F1574 HydrophobicContact CB-CZ 4.36Å; E1572-V1591 PolarHBondContact N-O 2.79Å; E1572-V1591 PolarHBondContact O-N 2.97Å; E1572-P1656 HydrophobicContact CG-CG 4.28Å; E1572-P1656 WeakPolarHBondContact OE1-CG 3.47Å; E1572-S1660 VanDerWaalsContact OE1-CB 3.29Å; E1572-S1660 WeakPolarHBondContact OE1-CB 3.15Å; E1572-S1660 PolarHBondContact OE1-OG 3.1Å; E1572-S1660 VanDerWaalsContact OE1-OG 3.13Å; E1572-S1660 WeakPolarHBondContact OE2-CB 3.49Å; E1572-S1660 PolarHBondContact OE2-OG 3.19Å; E1572-W1664 HydrophobicContact CB-CZ2 3.8Å; E1572-W1664 PolarHBondContact OE2-NE1 3.46Å |
| 1573 | M | 90.3 | Very high | 75 | Confident | 78 Ų | 78 | 64.6 Ų | 64.6 | 38% | 0.384 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 111.6 | -177.9 | -173.4 | 168 | 166.8 | 0 | 0 | 110.7 | E1588 R1589 | M1573-E1588 HydrophobicContact CE-CB 3.9Å; M1573-E1588 VanDerWaalsContact CE-CD 3.45Å; M1573-E1588 HydrophobicContact CE-CG 3.95Å; M1573-E1588 WeakPolarHBondContact CE-OE2 3.33Å; M1573-R1589 CarbonylContact C-O 3.58Å; M1573-R1589 WeakPolarHBondContact CA-O 3.48Å |
| 1574 | F | 94.9 | Very high | 75.2 | Confident | 1 Ų | 1 | 67.3 Ų | 67.3 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 149.3 | -179.9 | -70.5 | -89.5 | 0 | 0 | 0 | 111.6 | E1572 V1576 E1588 R1589 V1591 F1637 L1653 K1654 A1655 W1664 | E1572-F1574 HydrophobicContact CB-CD2 4.4Å; E1572-F1574 HydrophobicContact CB-CE2 3.78Å; E1572-F1574 HydrophobicContact CB-CZ 4.36Å; F1574-V1576 HydrophobicContact CB-CG2 3.92Å; F1574-E1588 CarbonylContact O-C 3.54Å; F1574-E1588 WeakPolarHBondContact O-CA 3.28Å; F1574-R1589 PolarHBondContact N-O 3.4Å; F1574-R1589 PolarHBondContact O-N 2.57Å; F1574-V1591 HydrophobicContact CB-CG2 4.18Å; F1574-V1591 HydrophobicContact CD2-CB 3.86Å; F1574-V1591 HydrophobicContact CD2-CG2 3.66Å; F1574-V1591 HydrophobicContact CE2-CB 4.3Å; F1574-V1591 HydrophobicContact CG-CG2 4.3Å; F1574-F1637 HydrophobicContact CD1-CE1 4.33Å; F1574-F1637 AromaticContact CE1-CE1 3.76Å; F1574-F1637 HydrophobicContact CE1-CE1 3.76Å; F1574-F1637 AromaticContact CE1-CZ 3.98Å; F1574-F1637 HydrophobicContact CE1-CZ 3.98Å; F1574-F1637 HydrophobicContact CZ-CZ 4.46Å; F1574-L1653 HydrophobicContact CB-CD2 4.31Å; F1574-L1653 HydrophobicContact CD1-CB 4.04Å; F1574-L1653 HydrophobicContact CD1-CD2 4.18Å; F1574-L1653 HydrophobicContact CD2-CD2 4.5Å; F1574-L1653 HydrophobicContact CG-CD2 4.07Å; F1574-K1654 WeakPolarHBondContact CD1-O 3.44Å; F1574-A1655 HydrophobicContact CD1-CB 4.37Å; F1574-A1655 HydrophobicContact CE1-CB 3.82Å; F1574-W1664 AromaticContact CE2-CD2 3.86Å; F1574-W1664 HydrophobicContact CE2-CD2 3.86Å; F1574-W1664 AromaticContact CE2-CE2 3.55Å; F1574-W1664 HydrophobicContact CE2-CE3 4.24Å; F1574-W1664 HydrophobicContact CE2-CG 4.41Å; F1574-W1664 HydrophobicContact CE2-CH2 4.1Å; F1574-W1664 AromaticContact CE2-CZ2 3.7Å; F1574-W1664 HydrophobicContact CE2-CZ2 3.7Å; F1574-W1664 HydrophobicContact CE2-CZ3 4.33Å; F1574-W1664 AromaticContact CE2-NE1 3.87Å; F1574-W1664 AromaticContact CZ-CD1 3.73Å; F1574-W1664 AromaticContact CZ-CD2 3.66Å; F1574-W1664 HydrophobicContact CZ-CD2 3.66Å; F1574-W1664 AromaticContact CZ-CE2 3.66Å; F1574-W1664 HydrophobicContact CZ-CE3 4.27Å; F1574-W1664 AromaticContact CZ-CG 3.74Å; F1574-W1664 HydrophobicContact CZ-CG 3.74Å; F1574-W1664 HydrophobicContact CZ-CZ2 4.29Å; F1574-W1664 AromaticContact CZ-NE1 3.64Å |
| 1575 | I | 94.1 | Very high | 75.7 | Confident | 61 Ų | 61 | 71.6 Ų | 71.6 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 122.3 | 158.4 | -52.6 | 175.5 | 0 | 0 | 0 | 107 | W1577 E1588 L1653 K1654 | I1575-W1577 HydrophobicContact CB-CH2 3.94Å; I1575-W1577 HydrophobicContact CB-CZ3 3.92Å; I1575-W1577 HydrophobicContact CG2-CE3 4.24Å; I1575-W1577 HydrophobicContact CG2-CH2 3.53Å; I1575-W1577 HydrophobicContact CG2-CZ2 3.9Å; I1575-W1577 HydrophobicContact CG2-CZ3 3.72Å; I1575-W1577 VanDerWaalsContact O-CZ3 3.24Å; I1575-W1577 WeakPolarHBondContact O-CZ3 3.28Å; I1575-E1588 HydrophobicContact CG1-CG 4.27Å; I1575-L1653 CarbonylContact O-C 3.55Å; I1575-L1653 WeakPolarHBondContact O-CA 3.4Å; I1575-K1654 HydrophobicContact CB-CB 4.34Å; I1575-K1654 PolarHBondContact N-O 3.21Å; I1575-K1654 PolarHBondContact O-N 2.99Å |
| 1576 | V | 91.5 | Very high | 76.6 | Confident | 12 Ų | 12 | 72.5 Ų | 72.5 | 7% | 0.073 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 131.3 | -175 | -174.7 | 0 | 0 | 0 | 0 | 110.3 | F1574 R1587 R1589 F1600 T1651 V1652 L1653 | F1574-V1576 HydrophobicContact CB-CG2 3.92Å; V1576-R1587 PolarHBondContact N-O 2.97Å; V1576-R1587 PolarHBondContact O-N 3.43Å; V1576-R1589 HydrophobicContact CB-CG 4.04Å; V1576-R1589 HydrophobicContact CG2-CB 3.85Å; V1576-R1589 HydrophobicContact CG2-CG 3.82Å; V1576-F1600 HydrophobicContact CG1-CD1 4.41Å; V1576-F1600 HydrophobicContact CG1-CE1 4.07Å; V1576-F1600 HydrophobicContact CG2-CD1 4.15Å; V1576-F1600 HydrophobicContact CG2-CE1 4.04Å; V1576-T1651 HydrophobicContact CG1-CG2 3.74Å; V1576-V1652 CarbonylContact C-O 3.57Å; V1576-V1652 WeakPolarHBondContact CA-O 3.5Å; V1576-L1653 HydrophobicContact CG2-CD2 4.33Å; V1576-L1653 HydrophobicContact CG2-CG 4.19Å |
| 1577 | W | 87.2 | Confident | 77.6 | Confident | 69 Ų | 69 | 75.5 Ų | 75.5 | 26% | 0.261 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 115.2 | 169.7 | -63.1 | -107.9 | 0 | 0 | 0 | 108.2 | I1575 T1651 V1652 K1654 | I1575-W1577 HydrophobicContact CB-CH2 3.94Å; I1575-W1577 HydrophobicContact CB-CZ3 3.92Å; I1575-W1577 HydrophobicContact CG2-CE3 4.24Å; I1575-W1577 HydrophobicContact CG2-CH2 3.53Å; I1575-W1577 HydrophobicContact CG2-CZ2 3.9Å; I1575-W1577 HydrophobicContact CG2-CZ3 3.72Å; I1575-W1577 VanDerWaalsContact O-CZ3 3.24Å; I1575-W1577 WeakPolarHBondContact O-CZ3 3.28Å; W1577-T1651 WeakPolarHBondContact O-CG2 3.44Å; W1577-V1652 HydrophobicContact CB-CB 4.25Å; W1577-V1652 HydrophobicContact CE3-CB 4.42Å; W1577-V1652 HydrophobicContact CE3-CG1 4Å; W1577-V1652 PolarHBondContact N-O 3.26Å; W1577-V1652 PolarHBondContact O-N 3.3Å; W1577-K1654 HydrophobicContact CH2-CB 3.97Å; W1577-K1654 HydrophobicContact CZ3-CB 3.72Å |
| 1578 | D | 72.5 | Confident | 78.6 | Confident | 63 Ų | 63 | 78.2 Ų | 78.2 | 34% | 0.337 | 37% | 0.372 | S | S | . | . | trans | -99.1 | 122.4 | 175.5 | -179 | -8.5 | 0 | 0 | 0 | 108.5 | R1580 Q1581 | D1578-R1580 PolarHBondContact O-N 3.26Å; D1578-R1580 WeakPolarHBondContact OD1-CB 3.36Å; D1578-R1580 PolarHBondContact OD1-N 3Å; D1578-Q1581 HydrophobicContact CB-CG 4.35Å | ||
| 1579 | P | 67.4 | Low | 79.4 | Confident | 34 Ų | 34 | 79.5 Ų | 79.5 | 22% | 0.221 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -70.8 | -18.7 | 179.9 | 31.1 | -37.5 | 0 | 0 | 0 | 113.2 | Q1581 N1647 E1648 R1650 | P1579-Q1581 PolarHBondContact O-N 3.41Å; P1579-N1647 WeakPolarHBondContact CB-O 3.39Å; P1579-N1647 VanDerWaalsContact CG-O 3.24Å; P1579-N1647 WeakPolarHBondContact CG-O 3.41Å; P1579-E1648 WeakPolarHBondContact CG-O 3.14Å; P1579-R1650 WeakPolarHBondContact CD-O 3.49Å; P1579-R1650 WeakPolarHBondContact CG-O 3.38Å |
| 1580 | R | 66.7 | Low | 80 | Confident | 166 Ų | 166 | 78.1 Ų | 78.1 | 63% | 0.626 | 37% | 0.367 | S | S | * | . | S | Bend | trans | -78 | 28.7 | -179.2 | -53 | 177.7 | -176.6 | 177.4 | 1 | 112.6 | D1578 E1648 | D1578-R1580 PolarHBondContact O-N 3.26Å; D1578-R1580 WeakPolarHBondContact OD1-CB 3.36Å; D1578-R1580 PolarHBondContact OD1-N 3Å; R1580-E1648 PolarHBondContact NE-O 2.89Å |
| 1581 | Q | 61.9 | Low | 80.2 | Confident | 76 Ų | 76 | 76.2 Ų | 76.2 | 36% | 0.355 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -137 | 121.8 | -178.1 | -65.4 | -75.5 | -85.9 | 0 | 0 | 108.3 | D1578 P1579 I1583 R1587 | D1578-Q1581 HydrophobicContact CB-CG 4.35Å; P1579-Q1581 PolarHBondContact O-N 3.41Å; Q1581-I1583 PolarHBondContact O-N 3.1Å; Q1581-R1587 VanDerWaalsContact OE1-CZ 3.28Å |
| 1582 | L | 54.3 | Low | 80.4 | Confident | 181 Ų | 181 | 74.7 Ų | 74.7 | 95% | 0.948 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -51.2 | -28.1 | -178.4 | -73.9 | 161.9 | 0 | 0 | 0 | 114.1 | ||
| 1583 | I | 51.6 | Low | 80.4 | Confident | 127 Ų | 127 | 72.1 Ų | 72.1 | 65% | 0.651 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -109.7 | 108.5 | 177.2 | -52.3 | 176.7 | 0 | 0 | 0 | 109 | Q1581 K1585 | Q1581-I1583 PolarHBondContact O-N 3.1Å; I1583-K1585 HydrophobicContact CG2-CB 4.13Å; I1583-K1585 PolarHBondContact O-N 3.46Å |
| 1584 | K | 66.2 | Low | 80.2 | Confident | 171 Ų | 171 | 68.4 Ų | 68.4 | 74% | 0.743 | 32% | 0.32 | S | S | * | . | trans | -70.7 | 43.2 | -179.4 | -65.6 | -177.8 | 177.7 | 176.3 | 0 | 114.3 | ||||
| 1585 | K | 77 | Confident | 79.2 | Confident | 161 Ų | 161 | 71.6 Ų | 71.6 | 70% | 0.7 | 34% | 0.337 | S | S | * | . | trans | -87 | 120.7 | 178 | -169.5 | 169 | -173.6 | 172.3 | 0 | 109.8 | I1583 | I1583-K1585 HydrophobicContact CG2-CB 4.13Å; I1583-K1585 PolarHBondContact O-N 3.46Å | ||
| 1586 | G | 81.7 | Confident | 78.3 | Confident | 26 Ų | 26 | 71.7 Ų | 71.7 | 27% | 0.268 | 34% | 0.337 | S | S | . | . | trans | -59.4 | 139.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1587 | R | 86.6 | Confident | 77.8 | Confident | 106 Ų | 106 | 71.1 Ų | 71.1 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 132.7 | -178.1 | -61 | 178.2 | 180 | 156.1 | -4.8 | 110.1 | V1576 Q1581 | V1576-R1587 PolarHBondContact N-O 2.97Å; V1576-R1587 PolarHBondContact O-N 3.43Å; Q1581-R1587 VanDerWaalsContact OE1-CZ 3.28Å |
| 1588 | E | 89.1 | Confident | 77.9 | Confident | 122 Ų | 122 | 68 Ų | 68 | 57% | 0.57 | 32% | 0.322 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 138.3 | 174 | -67.7 | 173 | 173.8 | 0 | 0 | 111.7 | M1573 F1574 I1575 | M1573-E1588 HydrophobicContact CE-CB 3.9Å; M1573-E1588 VanDerWaalsContact CE-CD 3.45Å; M1573-E1588 HydrophobicContact CE-CG 3.95Å; M1573-E1588 WeakPolarHBondContact CE-OE2 3.33Å; F1574-E1588 CarbonylContact O-C 3.54Å; F1574-E1588 WeakPolarHBondContact O-CA 3.28Å; I1575-E1588 HydrophobicContact CG1-CG 4.27Å |
| 1589 | R | 93.1 | Very high | 78.7 | Confident | 43 Ų | 43 | 65 Ų | 65 | 16% | 0.162 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 137.3 | 177.7 | -65.3 | -66.4 | 178.4 | -100.9 | 6.5 | 109.6 | M1573 F1574 V1576 V1591 F1600 S1601 | M1573-R1589 CarbonylContact C-O 3.58Å; M1573-R1589 WeakPolarHBondContact CA-O 3.48Å; F1574-R1589 PolarHBondContact N-O 3.4Å; F1574-R1589 PolarHBondContact O-N 2.57Å; V1576-R1589 HydrophobicContact CB-CG 4.04Å; V1576-R1589 HydrophobicContact CG2-CB 3.85Å; V1576-R1589 HydrophobicContact CG2-CG 3.82Å; R1589-V1591 HydrophobicContact CB-CG2 4.12Å; R1589-F1600 HydrophobicContact CB-CD1 4.45Å; R1589-F1600 HydrophobicContact CG-CD1 4.49Å; R1589-S1601 CarbonylContact C-O 3.49Å; R1589-S1601 WeakPolarHBondContact CA-O 3.24Å; R1589-S1601 WeakPolarHBondContact CD-O 3.43Å |
| 1590 | Q | 91.4 | Very high | 79.9 | Confident | 18 Ų | 18 | 63.7 Ų | 63.7 | 8% | 0.084 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 122.4 | 158.9 | -175.8 | 77.3 | 10.1 | 0 | 0 | 106.5 | F1592 S1601 Y1613 | Q1590-F1592 HydrophobicContact CB-CE2 4.41Å; Q1590-F1592 HydrophobicContact CG-CD2 4.43Å; Q1590-F1592 HydrophobicContact CG-CE2 3.72Å; Q1590-F1592 HydrophobicContact CG-CZ 3.83Å; Q1590-S1601 WeakPolarHBondContact CB-OG 3.15Å; Q1590-S1601 PolarHBondContact N-O 3.47Å; Q1590-S1601 PolarHBondContact O-N 2.85Å; Q1590-S1601 PolarHBondContact O-OG 3.37Å; Q1590-Y1613 HydrophobicContact CB-CD1 3.71Å; Q1590-Y1613 HydrophobicContact CB-CE1 3.74Å; Q1590-Y1613 HydrophobicContact CG-CD1 3.87Å; Q1590-Y1613 HydrophobicContact CG-CE1 3.59Å |
| 1591 | V | 91.7 | Very high | 81 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 135.9 | -177.9 | -173.4 | 0 | 0 | 0 | 0 | 108.5 | Q1571 E1572 F1574 R1589 L1598 V1599 F1600 W1664 | Q1571-V1591 VanDerWaalsContact CA-O 3.23Å; Q1571-V1591 WeakPolarHBondContact CA-O 3.29Å; E1572-V1591 PolarHBondContact N-O 2.79Å; E1572-V1591 PolarHBondContact O-N 2.97Å; F1574-V1591 HydrophobicContact CB-CG2 4.18Å; F1574-V1591 HydrophobicContact CD2-CB 3.86Å; F1574-V1591 HydrophobicContact CD2-CG2 3.66Å; F1574-V1591 HydrophobicContact CE2-CB 4.3Å; F1574-V1591 HydrophobicContact CG-CG2 4.3Å; R1589-V1591 HydrophobicContact CB-CG2 4.12Å; V1591-L1598 HydrophobicContact CG1-CD1 3.51Å; V1591-L1598 HydrophobicContact CG1-CG 4.01Å; V1591-V1599 CarbonylContact C-O 3.53Å; V1591-V1599 WeakPolarHBondContact CA-O 3.43Å; V1591-F1600 HydrophobicContact CG1-CD1 4.37Å; V1591-F1600 HydrophobicContact CG1-CE1 4.32Å; V1591-F1600 HydrophobicContact CG2-CD1 3.7Å; V1591-F1600 HydrophobicContact CG2-CE1 3.95Å; V1591-W1664 HydrophobicContact CB-CH2 4.2Å; V1591-W1664 HydrophobicContact CG1-CH2 3.99Å; V1591-W1664 HydrophobicContact CG1-CZ3 4.01Å |
| 1592 | F | 89.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 130.7 | 175.7 | -60.2 | -96.5 | 0 | 0 | 0 | 108.8 | H1552 L1553 L1556 V1568 Q1571 Q1590 F1594 V1599 Y1613 | H1552-F1592 HydrophobicContact CB-CE1 4.34Å; L1553-F1592 HydrophobicContact CD1-CD1 4.5Å; L1556-F1592 HydrophobicContact CD1-CE2 4.49Å; L1556-F1592 HydrophobicContact CD2-CE2 4.5Å; V1568-F1592 HydrophobicContact CG1-CD1 4.36Å; V1568-F1592 HydrophobicContact CG2-CD1 4.44Å; Q1571-F1592 HydrophobicContact CB-CD1 3.64Å; Q1571-F1592 HydrophobicContact CB-CE1 3.98Å; Q1571-F1592 HydrophobicContact CB-CG 4.33Å; Q1571-F1592 HydrophobicContact CG-CD1 4.5Å; Q1571-F1592 VanDerWaalsContact OE1-CE1 3.29Å; Q1590-F1592 HydrophobicContact CB-CE2 4.41Å; Q1590-F1592 HydrophobicContact CG-CD2 4.43Å; Q1590-F1592 HydrophobicContact CG-CE2 3.72Å; Q1590-F1592 HydrophobicContact CG-CZ 3.83Å; F1592-F1594 HydrophobicContact CB-CE2 3.83Å; F1592-F1594 HydrophobicContact CB-CZ 4.33Å; F1592-V1599 HydrophobicContact CB-CB 4.43Å; F1592-V1599 PolarHBondContact N-O 3.37Å; F1592-V1599 PolarHBondContact O-N 2.97Å; F1592-Y1613 HydrophobicContact CZ-CD2 4.28Å; F1592-Y1613 HydrophobicContact CZ-CG 4.38Å |
| 1593 | L | 90.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 130.7 | 173.8 | 178 | 63.8 | 0 | 0 | 0 | 109.6 | L1569 L1570 L1598 T1621 W1664 R1667 L1668 L1671 | L1569-L1593 HydrophobicContact CB-CD2 4.5Å; L1569-L1593 HydrophobicContact CB-CG 4.35Å; L1569-L1593 HydrophobicContact CD1-CD2 4.46Å; L1569-L1593 HydrophobicContact CD1-CG 4.18Å; L1569-L1593 PolarHBondContact N-O 3.32Å; L1570-L1593 HydrophobicContact CB-CB 4.3Å; L1570-L1593 HydrophobicContact CD1-CD2 4.27Å; L1570-L1593 PolarHBondContact O-N 2.92Å; L1593-L1598 HydrophobicContact CB-CD1 4.19Å; L1593-L1598 HydrophobicContact CD1-CD1 4.02Å; L1593-T1621 HydrophobicContact CD1-CG2 3.96Å; L1593-W1664 HydrophobicContact CB-CE3 4.5Å; L1593-W1664 HydrophobicContact CB-CH2 3.96Å; L1593-W1664 HydrophobicContact CB-CZ3 3.69Å; L1593-W1664 HydrophobicContact CD2-CE3 4.47Å; L1593-W1664 HydrophobicContact CD2-CZ3 4.43Å; L1593-R1667 HydrophobicContact CD2-CB 4.26Å; L1593-R1667 HydrophobicContact CD2-CG 3.81Å; L1593-L1668 HydrophobicContact CD1-CD2 3.83Å; L1593-L1668 HydrophobicContact CD2-CD2 4.23Å; L1593-L1668 HydrophobicContact CD2-CG 4.4Å; L1593-L1671 HydrophobicContact CD1-CD1 3.92Å; L1593-L1671 HydrophobicContact CD2-CD1 4.11Å; L1593-L1671 HydrophobicContact CG-CD1 4.2Å |
| 1594 | F | 85.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 170.3 | 171.9 | -55.8 | -99.2 | 0 | 0 | 0 | 108.9 | L1553 L1565 V1568 F1592 I1596 C1597 V1599 | L1553-F1594 HydrophobicContact CD1-CE1 4.31Å; L1553-F1594 HydrophobicContact CD1-CZ 3.73Å; L1553-F1594 HydrophobicContact CD2-CE1 4.07Å; L1553-F1594 HydrophobicContact CD2-CZ 4.33Å; L1565-F1594 HydrophobicContact CB-CB 4.49Å; L1565-F1594 HydrophobicContact CB-CD1 3.53Å; L1565-F1594 HydrophobicContact CB-CD2 4.33Å; L1565-F1594 HydrophobicContact CB-CE1 3.65Å; L1565-F1594 HydrophobicContact CB-CE2 4.44Å; L1565-F1594 HydrophobicContact CB-CG 3.88Å; L1565-F1594 HydrophobicContact CB-CZ 4.12Å; L1565-F1594 HydrophobicContact CD1-CD2 4.31Å; L1565-F1594 HydrophobicContact CD1-CE1 4.14Å; L1565-F1594 HydrophobicContact CD1-CE2 3.84Å; L1565-F1594 HydrophobicContact CD1-CZ 3.74Å; L1565-F1594 WeakPolarHBondContact O-CB 3.42Å; V1568-F1594 HydrophobicContact CG2-CD1 4.04Å; V1568-F1594 HydrophobicContact CG2-CE1 3.45Å; V1568-F1594 VanDerWaalsContact CG2-CE1 3.45Å; V1568-F1594 HydrophobicContact CG2-CZ 3.78Å; F1592-F1594 HydrophobicContact CB-CE2 3.83Å; F1592-F1594 HydrophobicContact CB-CZ 4.33Å; F1594-I1596 VanDerWaalsContact C-N 3.29Å; F1594-I1596 PolarHBondContact O-N 3.22Å; F1594-C1597 VanDerWaalsContact CD2-SG 3.6Å; F1594-C1597 PolarHBondContact N-O 3.18Å; F1594-V1599 HydrophobicContact CD2-CG2 4.24Å; F1594-V1599 HydrophobicContact CE2-CB 4.17Å; F1594-V1599 HydrophobicContact CE2-CG2 3.77Å |
| 1595 | D | 73.7 | Confident | 86.1 | Confident | 67 Ų | 67 | 46 Ų | 46 | 36% | 0.358 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -59.1 | -39.8 | 175.8 | -64.6 | -60.5 | 0 | 0 | 0 | 112.2 | L1569 T1621 R1667 L1671 | L1569-D1595 WeakPolarHBondContact CD1-OD1 3.4Å; D1595-T1621 WeakPolarHBondContact O-CB 3.49Å; D1595-T1621 PolarHBondContact O-OG1 2.88Å; D1595-R1667 IonicContact OD1-NH2 3.67Å; D1595-R1667 PolarHBondContact OD1-NH2 3.42Å; D1595-L1671 HydrophobicContact CB-CD2 4.46Å |
| 1596 | I | 75.5 | Confident | 85.9 | Confident | 63 Ų | 63 | 40.2 Ų | 40.2 | 32% | 0.323 | 20% | 0.195 | S | C | . | . | S | Bend | trans | -99.8 | -12.4 | -175.6 | 64.5 | 167.3 | 0 | 0 | 0 | 115.6 | F1594 T1621 F1679 | F1594-I1596 VanDerWaalsContact C-N 3.29Å; F1594-I1596 PolarHBondContact O-N 3.22Å; I1596-T1621 WeakPolarHBondContact CA-OG1 3.44Å; I1596-T1621 PolarHBondContact O-N 3.33Å; I1596-T1621 PolarHBondContact O-OG1 3.46Å; I1596-T1621 VanDerWaalsContact O-OG1 3.1Å; I1596-F1679 HydrophobicContact CG2-CE2 4.16Å; I1596-F1679 HydrophobicContact CG2-CZ 3.64Å |
| 1597 | C | 81.9 | Confident | 85.6 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 162.2 | -177.5 | 75.7 | 0 | 0 | 0 | 0 | 115.4 | F1594 R1618 V1619 L1620 | F1594-C1597 VanDerWaalsContact CD2-SG 3.6Å; F1594-C1597 PolarHBondContact N-O 3.18Å; C1597-R1618 HydrophobicContact CB-CG 3.77Å; C1597-V1619 CarbonylContact C-O 3.53Å; C1597-V1619 WeakPolarHBondContact CA-O 3.47Å; C1597-L1620 HydrophobicContact CB-CD2 4.32Å |
| 1598 | L | 88.9 | Confident | 84.9 | Confident | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.1 | 171.7 | -175.5 | 74.1 | 0 | 0 | 0 | 108.9 | V1591 L1593 F1600 R1618 V1619 I1624 L1639 W1664 | V1591-L1598 HydrophobicContact CG1-CD1 3.51Å; V1591-L1598 HydrophobicContact CG1-CG 4.01Å; L1593-L1598 HydrophobicContact CB-CD1 4.19Å; L1593-L1598 HydrophobicContact CD1-CD1 4.02Å; L1598-F1600 HydrophobicContact CD2-CE2 3.75Å; L1598-F1600 HydrophobicContact CD2-CZ 3.64Å; L1598-F1600 HydrophobicContact CG-CE2 4.09Å; L1598-F1600 HydrophobicContact CG-CZ 4.29Å; L1598-R1618 CarbonylContact O-C 3.55Å; L1598-R1618 VanDerWaalsContact O-CA 3.29Å; L1598-R1618 WeakPolarHBondContact O-CA 3.45Å; L1598-V1619 PolarHBondContact N-O 2.95Å; L1598-V1619 PolarHBondContact O-N 2.64Å; L1598-I1624 HydrophobicContact CB-CD1 3.86Å; L1598-I1624 HydrophobicContact CD2-CD1 4.05Å; L1598-L1639 HydrophobicContact CD2-CD1 3.32Å; L1598-W1664 HydrophobicContact CD1-CZ3 3.83Å |
| 1599 | V | 88.7 | Confident | 83.5 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 127.1 | -176.5 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | L1556 L1565 V1591 F1592 F1594 Y1615 R1618 | L1556-V1599 HydrophobicContact CD2-CG1 4.13Å; L1565-V1599 HydrophobicContact CD1-CG2 4.23Å; V1591-V1599 CarbonylContact C-O 3.53Å; V1591-V1599 WeakPolarHBondContact CA-O 3.43Å; F1592-V1599 HydrophobicContact CB-CB 4.43Å; F1592-V1599 PolarHBondContact N-O 3.37Å; F1592-V1599 PolarHBondContact O-N 2.97Å; F1594-V1599 HydrophobicContact CD2-CG2 4.24Å; F1594-V1599 HydrophobicContact CE2-CB 4.17Å; F1594-V1599 HydrophobicContact CE2-CG2 3.77Å; V1599-Y1615 HydrophobicContact CG1-CD2 3.81Å; V1599-Y1615 HydrophobicContact CG1-CE2 4Å; V1599-R1618 HydrophobicContact CG2-CB 4.29Å; V1599-R1618 HydrophobicContact CG2-CG 3.91Å |
| 1600 | F | 91.6 | Very high | 82.4 | Confident | 8 Ų | 8 | 49.6 Ų | 49.6 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 132.8 | 174.4 | -61.8 | -94.4 | 0 | 0 | 0 | 110.7 | V1576 R1589 V1591 L1598 K1616 S1617 V1619 L1653 | V1576-F1600 HydrophobicContact CG1-CD1 4.41Å; V1576-F1600 HydrophobicContact CG1-CE1 4.07Å; V1576-F1600 HydrophobicContact CG2-CD1 4.15Å; V1576-F1600 HydrophobicContact CG2-CE1 4.04Å; R1589-F1600 HydrophobicContact CB-CD1 4.45Å; R1589-F1600 HydrophobicContact CG-CD1 4.49Å; V1591-F1600 HydrophobicContact CG1-CD1 4.37Å; V1591-F1600 HydrophobicContact CG1-CE1 4.32Å; V1591-F1600 HydrophobicContact CG2-CD1 3.7Å; V1591-F1600 HydrophobicContact CG2-CE1 3.95Å; L1598-F1600 HydrophobicContact CD2-CE2 3.75Å; L1598-F1600 HydrophobicContact CD2-CZ 3.64Å; L1598-F1600 HydrophobicContact CG-CE2 4.09Å; L1598-F1600 HydrophobicContact CG-CZ 4.29Å; F1600-K1616 WeakPolarHBondContact O-CB 3.41Å; F1600-K1616 PolarHBondContact O-N 3.27Å; F1600-S1617 PolarHBondContact N-O 2.9Å; F1600-S1617 PolarHBondContact O-N 2.76Å; F1600-V1619 HydrophobicContact CE2-CG2 4.22Å; F1600-L1653 HydrophobicContact CE1-CD2 4.07Å |
| 1601 | S | 91.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 161.3 | 178.7 | 74.8 | 0 | 0 | 0 | 0 | 112.6 | R1589 Q1590 M1614 | R1589-S1601 CarbonylContact C-O 3.49Å; R1589-S1601 WeakPolarHBondContact CA-O 3.24Å; R1589-S1601 WeakPolarHBondContact CD-O 3.43Å; Q1590-S1601 WeakPolarHBondContact CB-OG 3.15Å; Q1590-S1601 PolarHBondContact N-O 3.47Å; Q1590-S1601 PolarHBondContact O-N 2.85Å; Q1590-S1601 PolarHBondContact O-OG 3.37Å; S1601-M1614 CarbonylContact C-O 3.57Å; S1601-M1614 VanDerWaalsContact CA-O 3.29Å; S1601-M1614 WeakPolarHBondContact CA-O 3.49Å; S1601-M1614 WeakPolarHBondContact CB-O 3.47Å |
| 1602 | K | 88.7 | Confident | 81.2 | Confident | 107 Ų | 107 | 53.4 Ų | 53.4 | 47% | 0.465 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 117.7 | 171.4 | 179.7 | -168.5 | 172.6 | -170.2 | 0 | 109 | M1614 K1616 | K1602-M1614 PolarHBondContact N-O 3.16Å; K1602-M1614 PolarHBondContact O-N 3.03Å; K1602-K1616 HydrophobicContact CB-CD 4.45Å; K1602-K1616 HydrophobicContact CB-CG 4.24Å |
| 1603 | K | 85.3 | Confident | 81 | Confident | 101 Ų | 101 | 53.8 Ų | 53.8 | 44% | 0.439 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 135.9 | 166 | -172.7 | 174.4 | 177.9 | 170.9 | 0 | 110.2 | T1611 K1612 Y1613 | K1603-T1611 HydrophobicContact CD-CG2 4.31Å; K1603-T1611 HydrophobicContact CG-CG2 4.01Å; K1603-K1612 CarbonylContact C-O 3.59Å; K1603-K1612 WeakPolarHBondContact CA-O 3.35Å; K1603-Y1613 HydrophobicContact CB-CD1 3.9Å; K1603-Y1613 HydrophobicContact CB-CE1 3.9Å; K1603-Y1613 HydrophobicContact CD-CE1 4Å; K1603-Y1613 HydrophobicContact CG-CD1 4.15Å; K1603-Y1613 HydrophobicContact CG-CE1 3.79Å |
| 1604 | F | 83.3 | Confident | 80.8 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 22% | 0.215 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 174.5 | 173 | 72.4 | -77.8 | 0 | 0 | 0 | 110.3 | E1557 T1611 K1612 M1614 | E1557-F1604 WeakPolarHBondContact OE2-CZ 3.24Å; F1604-T1611 WeakPolarHBondContact O-CA 3.35Å; F1604-K1612 HydrophobicContact CD1-CB 4Å; F1604-K1612 WeakPolarHBondContact CD1-O 3.4Å; F1604-K1612 HydrophobicContact CE1-CB 3.44Å; F1604-K1612 VanDerWaalsContact CE1-CB 3.44Å; F1604-K1612 HydrophobicContact CE2-CB 4.04Å; F1604-K1612 HydrophobicContact CE2-CD 4.33Å; F1604-K1612 HydrophobicContact CZ-CB 3.48Å; F1604-K1612 VanDerWaalsContact CZ-CB 3.48Å; F1604-K1612 HydrophobicContact CZ-CD 3.92Å; F1604-K1612 HydrophobicContact CZ-CG 4.33Å; F1604-K1612 PolarHBondContact N-O 2.96Å; F1604-K1612 PolarHBondContact O-N 3.39Å; F1604-K1612 VanDerWaalsContact O-O 3.13Å; F1604-M1614 HydrophobicContact CD1-CB 3.98Å; F1604-M1614 HydrophobicContact CE1-CB 3.77Å; F1604-M1614 HydrophobicContact CE1-CE 4.34Å; F1604-M1614 HydrophobicContact CZ-CE 4.45Å |
| 1605 | V | 82.9 | Confident | 81 | Confident | 93 Ų | 93 | 60.4 Ų | 60.4 | 56% | 0.564 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 133.9 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | G1609 R1610 | V1605-G1609 VanDerWaalsContact CG1-C 3.41Å; V1605-R1610 CarbonylContact C-O 3.4Å; V1605-R1610 VanDerWaalsContact CA-O 3.32Å; V1605-R1610 WeakPolarHBondContact CA-O 3.32Å |
| 1606 | D | 73.1 | Confident | 81.6 | Confident | 38 Ų | 38 | 61.4 Ų | 61.4 | 20% | 0.203 | 31% | 0.313 | C | S | . | . | trans | -83.2 | 176.3 | 178.6 | 75.5 | 11.8 | 0 | 0 | 0 | 112.9 | A1608 G1609 R1610 K1612 | D1606-A1608 PolarHBondContact O-N 2.77Å; D1606-A1608 VanDerWaalsContact O-N 3.12Å; D1606-A1608 WeakPolarHBondContact OD1-CA 3.44Å; D1606-A1608 WeakPolarHBondContact OD1-CB 3.41Å; D1606-A1608 PolarHBondContact OD1-N 2.76Å; D1606-G1609 PolarHBondContact O-N 3.05Å; D1606-G1609 PolarHBondContact OD1-N 3.29Å; D1606-R1610 PolarHBondContact N-O 3.47Å; D1606-R1610 WeakPolarHBondContact OD1-CB 3.25Å; D1606-R1610 PolarHBondContact OD1-N 2.82Å; D1606-K1612 HydrophobicContact CB-CD 4.27Å; D1606-K1612 VanDerWaalsContact OD2-CE 3.31Å; D1606-K1612 WeakPolarHBondContact OD2-CE 3.25Å; D1606-K1612 IonicContact OD2-NZ 2.86Å | ||
| 1607 | Q | 75.2 | Confident | 82.1 | Confident | 211 Ų | 211 | 60.6 Ų | 60.6 | 99% | 0.986 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -15.4 | -179.7 | -64.4 | -179.9 | 0 | 0 | 0 | 113.7 | ||
| 1608 | A | 71.8 | Confident | 82.2 | Confident | 73 Ų | 73 | 65.5 Ų | 65.5 | 60% | 0.603 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.1 | 11.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D1606 R1610 | D1606-A1608 PolarHBondContact O-N 2.77Å; D1606-A1608 VanDerWaalsContact O-N 3.12Å; D1606-A1608 WeakPolarHBondContact OD1-CA 3.44Å; D1606-A1608 WeakPolarHBondContact OD1-CB 3.41Å; D1606-A1608 PolarHBondContact OD1-N 2.76Å; A1608-R1610 VanDerWaalsContact C-N 3.28Å; A1608-R1610 HydrophobicContact CB-CG 4.32Å; A1608-R1610 PolarHBondContact O-N 3.23Å |
| 1609 | G | 59.6 | Low | 82.1 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 60% | 0.598 | 34% | 0.34 | S | S | * | . | S | Bend | trans | 76.4 | 9.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V1605 D1606 | V1605-G1609 VanDerWaalsContact CG1-C 3.41Å; D1606-G1609 PolarHBondContact O-N 3.05Å; D1606-G1609 PolarHBondContact OD1-N 3.29Å |
| 1610 | R | 70.4 | Confident | 81.8 | Confident | 152 Ų | 152 | 69 Ų | 69 | 57% | 0.574 | 35% | 0.35 | S | S | * | . | trans | -87.5 | 136.4 | -176.9 | -54.5 | 178.6 | 179.5 | -166.2 | -1.8 | 110.4 | V1605 D1606 A1608 | V1605-R1610 CarbonylContact C-O 3.4Å; V1605-R1610 VanDerWaalsContact CA-O 3.32Å; V1605-R1610 WeakPolarHBondContact CA-O 3.32Å; D1606-R1610 PolarHBondContact N-O 3.47Å; D1606-R1610 WeakPolarHBondContact OD1-CB 3.25Å; D1606-R1610 PolarHBondContact OD1-N 2.82Å; A1608-R1610 VanDerWaalsContact C-N 3.28Å; A1608-R1610 HydrophobicContact CB-CG 4.32Å; A1608-R1610 PolarHBondContact O-N 3.23Å | ||
| 1611 | T | 75.5 | Confident | 81.2 | Confident | 47 Ų | 47 | 69.2 Ų | 69.2 | 29% | 0.288 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 134 | 170.4 | -72.9 | 0 | 0 | 0 | 0 | 109.8 | M1555 K1603 F1604 Y1613 | M1555-T1611 VanDerWaalsContact CE-O 3.24Å; M1555-T1611 WeakPolarHBondContact CE-O 3.48Å; M1555-T1611 VanDerWaalsContact SD-O 3.36Å; K1603-T1611 HydrophobicContact CD-CG2 4.31Å; K1603-T1611 HydrophobicContact CG-CG2 4.01Å; F1604-T1611 WeakPolarHBondContact O-CA 3.35Å; T1611-Y1613 HydrophobicContact CG2-CE1 4.48Å; T1611-Y1613 HydrophobicContact CG2-CE2 4.4Å |
| 1612 | K | 82.2 | Confident | 80.2 | Confident | 52 Ų | 52 | 72.7 Ų | 72.7 | 23% | 0.226 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 162.7 | 170.2 | -70.8 | -171.5 | 172.7 | -169.1 | 0 | 110.7 | E1557 K1603 F1604 D1606 | E1557-K1612 WeakPolarHBondContact OE1-CD 3.46Å; E1557-K1612 WeakPolarHBondContact OE1-CE 3.26Å; E1557-K1612 IonicContact OE1-NZ 2.71Å; E1557-K1612 PolarHBondContact OE1-NZ 2.85Å; K1603-K1612 CarbonylContact C-O 3.59Å; K1603-K1612 WeakPolarHBondContact CA-O 3.35Å; F1604-K1612 HydrophobicContact CD1-CB 4Å; F1604-K1612 WeakPolarHBondContact CD1-O 3.4Å; F1604-K1612 HydrophobicContact CE1-CB 3.44Å; F1604-K1612 VanDerWaalsContact CE1-CB 3.44Å; F1604-K1612 HydrophobicContact CE2-CB 4.04Å; F1604-K1612 HydrophobicContact CE2-CD 4.33Å; F1604-K1612 HydrophobicContact CZ-CB 3.48Å; F1604-K1612 VanDerWaalsContact CZ-CB 3.48Å; F1604-K1612 HydrophobicContact CZ-CD 3.92Å; F1604-K1612 HydrophobicContact CZ-CG 4.33Å; F1604-K1612 PolarHBondContact N-O 2.96Å; F1604-K1612 PolarHBondContact O-N 3.39Å; F1604-K1612 VanDerWaalsContact O-O 3.13Å; D1606-K1612 HydrophobicContact CB-CD 4.27Å; D1606-K1612 VanDerWaalsContact OD2-CE 3.31Å; D1606-K1612 WeakPolarHBondContact OD2-CE 3.25Å; D1606-K1612 IonicContact OD2-NZ 2.86Å |
| 1613 | Y | 86.1 | Confident | 79.8 | Confident | 7 Ų | 7 | 72 Ų | 72 | 3% | 0.027 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 134.3 | 176.3 | -55.9 | -77.9 | 0 | 0 | 0 | 109.5 | H1552 M1555 L1556 E1557 Q1590 F1592 K1603 T1611 | H1552-Y1613 HydrophobicContact CB-CE2 4.22Å; H1552-Y1613 AromaticContact ND1-CE2 3.76Å; H1552-Y1613 AromaticContact ND1-CZ 3.97Å; H1552-Y1613 PolarHBondContact ND1-OH 3.2Å; M1555-Y1613 HydrophobicContact CB-CD2 4.3Å; M1555-Y1613 PolarHBondContact O-N 3.07Å; L1556-Y1613 CarbonylContact C-O 3.54Å; L1556-Y1613 WeakPolarHBondContact CA-O 3.43Å; E1557-Y1613 PolarHBondContact N-O 2.96Å; Q1590-Y1613 HydrophobicContact CB-CD1 3.71Å; Q1590-Y1613 HydrophobicContact CB-CE1 3.74Å; Q1590-Y1613 HydrophobicContact CG-CD1 3.87Å; Q1590-Y1613 HydrophobicContact CG-CE1 3.59Å; F1592-Y1613 HydrophobicContact CZ-CD2 4.28Å; F1592-Y1613 HydrophobicContact CZ-CG 4.38Å; K1603-Y1613 HydrophobicContact CB-CD1 3.9Å; K1603-Y1613 HydrophobicContact CB-CE1 3.9Å; K1603-Y1613 HydrophobicContact CD-CE1 4Å; K1603-Y1613 HydrophobicContact CG-CD1 4.15Å; K1603-Y1613 HydrophobicContact CG-CE1 3.79Å; T1611-Y1613 HydrophobicContact CG2-CE1 4.48Å; T1611-Y1613 HydrophobicContact CG2-CE2 4.4Å |
| 1614 | M | 84.8 | Confident | 79.8 | Confident | 79 Ų | 79 | 67.3 Ų | 67.3 | 39% | 0.389 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.5 | 179.4 | -178.3 | -174.4 | -75.6 | 0 | 0 | 109.8 | S1601 K1602 F1604 K1616 | S1601-M1614 CarbonylContact C-O 3.57Å; S1601-M1614 VanDerWaalsContact CA-O 3.29Å; S1601-M1614 WeakPolarHBondContact CA-O 3.49Å; S1601-M1614 WeakPolarHBondContact CB-O 3.47Å; K1602-M1614 PolarHBondContact N-O 3.16Å; K1602-M1614 PolarHBondContact O-N 3.03Å; F1604-M1614 HydrophobicContact CD1-CB 3.98Å; F1604-M1614 HydrophobicContact CE1-CB 3.77Å; F1604-M1614 HydrophobicContact CE1-CE 4.34Å; F1604-M1614 HydrophobicContact CZ-CE 4.45Å; M1614-K1616 PolarHBondContact SD-NZ 2.76Å |
| 1615 | Y | 89.7 | Confident | 79.8 | Confident | 61 Ų | 61 | 67 Ų | 67 | 24% | 0.239 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 144.2 | 177.3 | 177.3 | -111.1 | 0 | 0 | 0 | 113 | E1557 G1558 C1559 V1599 S1617 R1618 | E1557-Y1615 PolarHBondContact O-N 3.12Å; G1558-Y1615 VanDerWaalsContact O-CD1 3.24Å; G1558-Y1615 WeakPolarHBondContact O-CD1 3.17Å; C1559-Y1615 HydrophobicContact CB-CD2 4.11Å; C1559-Y1615 HydrophobicContact CB-CG 4.18Å; V1599-Y1615 HydrophobicContact CG1-CD2 3.81Å; V1599-Y1615 HydrophobicContact CG1-CE2 4Å; Y1615-S1617 WeakPolarHBondContact CE2-O 3.24Å; Y1615-R1618 HydrophobicContact CE2-CB 4.09Å; Y1615-R1618 WeakPolarHBondContact OH-CB 3.39Å; Y1615-R1618 PolarHBondContact OH-N 3.47Å; Y1615-R1618 VanDerWaalsContact OH-N 3.13Å |
| 1616 | K | 86.5 | Confident | 80.1 | Confident | 88 Ų | 88 | 64.2 Ų | 64.2 | 38% | 0.383 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | -47.7 | 177.2 | -63.3 | -68.4 | 147.1 | -120.3 | 0 | 112.8 | F1600 K1602 M1614 | F1600-K1616 WeakPolarHBondContact O-CB 3.41Å; F1600-K1616 PolarHBondContact O-N 3.27Å; K1602-K1616 HydrophobicContact CB-CD 4.45Å; K1602-K1616 HydrophobicContact CB-CG 4.24Å; M1614-K1616 PolarHBondContact SD-NZ 2.76Å |
| 1617 | S | 86 | Confident | 80.8 | Confident | 45 Ų | 45 | 64.6 Ų | 64.6 | 32% | 0.315 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.9 | 160.4 | 178.5 | 49.8 | 0 | 0 | 0 | 0 | 111.6 | F1600 Y1615 | F1600-S1617 PolarHBondContact N-O 2.9Å; F1600-S1617 PolarHBondContact O-N 2.76Å; Y1615-S1617 WeakPolarHBondContact CE2-O 3.24Å |
| 1618 | R | 85 | Confident | 81.3 | Confident | 104 Ų | 104 | 57.5 Ų | 57.5 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 146 | 172.5 | -176 | 177.3 | 74.7 | 177.3 | 3.5 | 108.5 | C1597 L1598 V1599 Y1615 | C1597-R1618 HydrophobicContact CB-CG 3.77Å; L1598-R1618 CarbonylContact O-C 3.55Å; L1598-R1618 VanDerWaalsContact O-CA 3.29Å; L1598-R1618 WeakPolarHBondContact O-CA 3.45Å; V1599-R1618 HydrophobicContact CG2-CB 4.29Å; V1599-R1618 HydrophobicContact CG2-CG 3.91Å; Y1615-R1618 HydrophobicContact CE2-CB 4.09Å; Y1615-R1618 WeakPolarHBondContact OH-CB 3.39Å; Y1615-R1618 PolarHBondContact OH-N 3.47Å; Y1615-R1618 VanDerWaalsContact OH-N 3.13Å |
| 1619 | V | 85.2 | Confident | 81.7 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 19% | 0.188 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142 | 170.3 | -169.5 | 0 | 0 | 0 | 0 | 107.6 | C1597 L1598 F1600 I1624 T1641 | C1597-V1619 CarbonylContact C-O 3.53Å; C1597-V1619 WeakPolarHBondContact CA-O 3.47Å; L1598-V1619 PolarHBondContact N-O 2.95Å; L1598-V1619 PolarHBondContact O-N 2.64Å; F1600-V1619 HydrophobicContact CE2-CG2 4.22Å; V1619-I1624 HydrophobicContact CB-CD1 4.08Å; V1619-I1624 HydrophobicContact CB-CG1 4.22Å; V1619-I1624 HydrophobicContact CG1-CD1 3.95Å; V1619-I1624 HydrophobicContact CG1-CG1 3.55Å; V1619-T1641 HydrophobicContact CG1-CG2 3.63Å |
| 1620 | L | 82.8 | Confident | 82.7 | Confident | 44 Ų | 44 | 58.6 Ų | 58.6 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 141.3 | -178.6 | -61.7 | 176.1 | 0 | 0 | 0 | 111.3 | C1597 S1622 E1623 I1624 | C1597-L1620 HydrophobicContact CB-CD2 4.32Å; L1620-S1622 VanDerWaalsContact CB-OG 3.3Å; L1620-S1622 WeakPolarHBondContact CB-OG 3.36Å; L1620-S1622 PolarHBondContact O-N 3.01Å; L1620-S1622 VanDerWaalsContact O-N 3.13Å; L1620-E1623 HydrophobicContact CB-CG 4.12Å; L1620-E1623 PolarHBondContact O-N 2.89Å; L1620-I1624 WeakPolarHBondContact O-CG1 3.49Å; L1620-I1624 PolarHBondContact O-N 3.37Å |
| 1621 | T | 79.5 | Confident | 82.9 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 9% | 0.086 | 30% | 0.299 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -1.1 | 173.8 | 52.3 | 0 | 0 | 0 | 0 | 112.6 | L1593 D1595 I1596 L1671 R1675 | L1593-T1621 HydrophobicContact CD1-CG2 3.96Å; D1595-T1621 WeakPolarHBondContact O-CB 3.49Å; D1595-T1621 PolarHBondContact O-OG1 2.88Å; I1596-T1621 WeakPolarHBondContact CA-OG1 3.44Å; I1596-T1621 PolarHBondContact O-N 3.33Å; I1596-T1621 PolarHBondContact O-OG1 3.46Å; I1596-T1621 VanDerWaalsContact O-OG1 3.1Å; T1621-L1671 HydrophobicContact CG2-CD1 4.22Å; T1621-R1675 PolarHBondContact O-NE 2.99Å; T1621-R1675 PolarHBondContact O-NH2 2.88Å |
| 1622 | S | 70.2 | Confident | 83.1 | Confident | 72 Ų | 72 | 61.6 Ų | 61.6 | 50% | 0.503 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.9 | -19 | 165.8 | 53.5 | 0 | 0 | 0 | 0 | 114.3 | L1620 R1675 | L1620-S1622 VanDerWaalsContact CB-OG 3.3Å; L1620-S1622 WeakPolarHBondContact CB-OG 3.36Å; L1620-S1622 PolarHBondContact O-N 3.01Å; L1620-S1622 VanDerWaalsContact O-N 3.13Å; S1622-R1675 PolarHBondContact O-NE 3.31Å; S1622-R1675 PolarHBondContact O-NH1 2.89Å; S1622-R1675 PolarHBondContact O-NH2 2.93Å |
| 1623 | E | 80 | Confident | 83.2 | Confident | 92 Ų | 92 | 60.5 Ų | 60.5 | 43% | 0.43 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -21.6 | -171.6 | -64.7 | 171 | 161.3 | 0 | 0 | 114.2 | L1620 T1641 | L1620-E1623 HydrophobicContact CB-CG 4.12Å; L1620-E1623 PolarHBondContact O-N 2.89Å; E1623-T1641 HydrophobicContact CB-CG2 4.21Å; E1623-T1641 WeakPolarHBondContact O-CA 3.25Å |
| 1624 | I | 85.6 | Confident | 83.1 | Confident | 3 Ų | 3 | 67 Ų | 67 | 2% | 0.015 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 134.2 | -172.8 | -66.1 | 163.7 | 0 | 0 | 0 | 112.6 | L1598 V1619 L1620 V1626 L1639 W1640 I1672 R1675 | L1598-I1624 HydrophobicContact CB-CD1 3.86Å; L1598-I1624 HydrophobicContact CD2-CD1 4.05Å; V1619-I1624 HydrophobicContact CB-CD1 4.08Å; V1619-I1624 HydrophobicContact CB-CG1 4.22Å; V1619-I1624 HydrophobicContact CG1-CD1 3.95Å; V1619-I1624 HydrophobicContact CG1-CG1 3.55Å; L1620-I1624 WeakPolarHBondContact O-CG1 3.49Å; L1620-I1624 PolarHBondContact O-N 3.37Å; I1624-V1626 HydrophobicContact CG2-CG2 4.45Å; I1624-L1639 HydrophobicContact CG2-CB 4.18Å; I1624-L1639 HydrophobicContact CG2-CD1 4.43Å; I1624-L1639 HydrophobicContact CG2-CD2 3.82Å; I1624-L1639 HydrophobicContact CG2-CG 4.35Å; I1624-W1640 CarbonylContact C-O 3.58Å; I1624-I1672 WeakPolarHBondContact O-CD1 3.23Å; I1624-R1675 VanDerWaalsContact N-NH2 3.13Å; I1624-R1675 PolarHBondContact O-NH1 2.87Å; I1624-R1675 PolarHBondContact O-NH2 3.23Å |
| 1625 | N | 84.5 | Confident | 83.5 | Confident | 43 Ų | 43 | 64.5 Ų | 64.5 | 23% | 0.23 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 154 | 161 | -70.3 | -49.2 | 0 | 0 | 0 | 109.9 | L1639 W1640 G1642 | N1625-L1639 CarbonylContact O-C 3.55Å; N1625-L1639 WeakPolarHBondContact O-CA 3.42Å; N1625-W1640 HydrophobicContact CB-CD2 3.65Å; N1625-W1640 VanDerWaalsContact CB-CE2 3.43Å; N1625-W1640 HydrophobicContact CB-CE3 3.85Å; N1625-W1640 HydrophobicContact CB-CG 4.38Å; N1625-W1640 HydrophobicContact CB-CH2 3.69Å; N1625-W1640 HydrophobicContact CB-CZ2 3.47Å; N1625-W1640 VanDerWaalsContact CB-CZ2 3.47Å; N1625-W1640 HydrophobicContact CB-CZ3 3.87Å; N1625-W1640 PolarHBondContact N-O 3.07Å; N1625-W1640 WeakPolarHBondContact ND2-CZ3 3.43Å; N1625-W1640 PolarHBondContact O-N 3.23Å; N1625-G1642 PolarHBondContact ND2-O 3.17Å |
| 1626 | V | 89.5 | Confident | 83.6 | Confident | 34 Ų | 34 | 63.8 Ų | 63.8 | 21% | 0.206 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 130.3 | -171.1 | -172.6 | 0 | 0 | 0 | 0 | 111 | I1624 F1637 L1639 V1665 L1668 I1672 | I1624-V1626 HydrophobicContact CG2-CG2 4.45Å; V1626-F1637 HydrophobicContact CG1-CD2 4.42Å; V1626-L1639 HydrophobicContact CB-CD2 4.33Å; V1626-L1639 HydrophobicContact CG1-CD2 4.2Å; V1626-L1639 HydrophobicContact CG2-CD2 3.77Å; V1626-V1665 HydrophobicContact CG1-CG1 4.21Å; V1626-V1665 HydrophobicContact CG1-CG2 4.32Å; V1626-L1668 HydrophobicContact CG2-CB 4.09Å; V1626-L1668 HydrophobicContact CG2-CD1 4.36Å; V1626-I1672 HydrophobicContact CG2-CD1 3.66Å |
| 1627 | T | 85.7 | Confident | 84 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 29% | 0.288 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 101.5 | 167.2 | -42.3 | 0 | 0 | 0 | 0 | 108.6 | F1637 A1638 W1640 | T1627-F1637 WeakPolarHBondContact O-CA 3.38Å; T1627-F1637 WeakPolarHBondContact O-CB 3.33Å; T1627-A1638 PolarHBondContact N-O 3.33Å; T1627-A1638 PolarHBondContact O-N 3.14Å; T1627-W1640 VanDerWaalsContact OG1-CD1 3.29Å; T1627-W1640 PolarHBondContact OG1-NE1 3.44Å |
| 1628 | E | 86.6 | Confident | 84.2 | Confident | 61 Ų | 61 | 57.5 Ų | 57.5 | 29% | 0.285 | 31% | 0.31 | S | S | . | . | trans | -69.4 | -32.1 | -172.4 | 178.6 | 168.4 | -141.6 | 0 | 0 | 113.7 | K1661 V1665 R1669 | E1628-K1661 WeakPolarHBondContact O-CE 3.37Å; E1628-K1661 PolarHBondContact O-NZ 3.23Å; E1628-V1665 HydrophobicContact CB-CG1 4.22Å; E1628-V1665 HydrophobicContact CG-CG1 4.07Å; E1628-R1669 IonicContact OE1-CZ 2.78Å; E1628-R1669 IonicContact OE1-NH2 3.67Å; E1628-R1669 PolarHBondContact OE1-NH2 3.27Å; E1628-R1669 IonicContact OE2-CZ 2.81Å; E1628-R1669 VanDerWaalsContact OE2-CZ 3.23Å; E1628-R1669 IonicContact OE2-NH1 2.96Å; E1628-R1669 PolarHBondContact OE2-NH1 3.28Å; E1628-R1669 IonicContact OE2-NH2 3.7Å; E1628-R1669 PolarHBondContact OE2-NH2 3.46Å | ||
| 1629 | H | 80.3 | Confident | 84.5 | Confident | 129 Ų | 129 | 52.9 Ų | 52.9 | 60% | 0.597 | 29% | 0.293 | S | S | * | . | trans | -99.5 | 135.9 | 179.3 | -167.2 | 83.6 | 0 | 0 | 0 | 111.7 | ||||
| 1630 | I | 81.1 | Confident | 84.6 | Confident | 25 Ų | 25 | 53.2 Ų | 53.2 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | trans | -135.4 | 129.5 | 165.7 | -64.4 | -174.4 | 0 | 0 | 0 | 107.1 | K1636 F1637 A1638 V1652 | I1630-K1636 HydrophobicContact CB-CB 4.08Å; I1630-K1636 HydrophobicContact CD1-CB 4.24Å; I1630-K1636 HydrophobicContact CG2-CB 4.46Å; I1630-K1636 HydrophobicContact CG2-CD 4.47Å; I1630-F1637 VanDerWaalsContact CD1-C 3.41Å; I1630-A1638 HydrophobicContact CD1-CB 4Å; I1630-V1652 HydrophobicContact CD1-CB 4.32Å; I1630-V1652 HydrophobicContact CD1-CG1 3.62Å; I1630-V1652 HydrophobicContact CD1-CG2 3.85Å | ||
| 1631 | E | 75 | Confident | 84.5 | Confident | 176 Ų | 176 | 52.6 Ų | 52.6 | 82% | 0.822 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 137.7 | -178.2 | -61.5 | 177.6 | 147.1 | 0 | 0 | 111.5 | ||
| 1632 | G | 78.6 | Confident | 83.9 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 90% | 0.897 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.3 | 0.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 1633 | D | 84.4 | Confident | 83.4 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 16% | 0.155 | 32% | 0.324 | C | S | . | . | trans | -158.2 | 103.1 | 174.9 | -162.6 | -32.7 | 0 | 0 | 0 | 112.7 | C1635 K1636 K1654 | D1633-C1635 PolarHBondContact O-N 3.37Å; D1633-C1635 VanDerWaalsContact O-N 3.12Å; D1633-C1635 PolarHBondContact OD1-N 3.2Å; D1633-K1636 HydrophobicContact CB-CB 4.12Å; D1633-K1636 HydrophobicContact CB-CD 3.79Å; D1633-K1636 HydrophobicContact CB-CG 3.72Å; D1633-K1636 VanDerWaalsContact CB-NZ 3.26Å; D1633-K1636 WeakPolarHBondContact O-CB 3.38Å; D1633-K1636 PolarHBondContact O-N 3.23Å; D1633-K1636 WeakPolarHBondContact OD2-CE 3.46Å; D1633-K1636 IonicContact OD2-NZ 2.71Å; D1633-K1636 PolarHBondContact OD2-NZ 3.12Å; D1633-K1654 IonicContact OD1-NZ 2.69Å; D1633-K1654 PolarHBondContact OD1-NZ 3.19Å; D1633-K1654 WeakPolarHBondContact OD2-CD 3.46Å; D1633-K1654 IonicContact OD2-NZ 3.98Å; D1633-K1654 PolarHBondContact OD2-NZ 3.11Å | ||
| 1634 | E | 84.8 | Confident | 82.6 | Confident | 144 Ų | 144 | 60 Ų | 60 | 67% | 0.673 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -24.6 | -175.9 | -63.5 | -173.5 | 165.6 | 0 | 0 | 113.8 | K1636 K1661 | E1634-K1636 VanDerWaalsContact C-N 3.31Å; E1634-K1661 WeakPolarHBondContact O-CD 3.17Å; E1634-K1661 WeakPolarHBondContact O-CE 3.38Å; E1634-K1661 PolarHBondContact O-NZ 3.12Å |
| 1635 | C | 92.6 | Very high | 81.5 | Confident | 26 Ų | 26 | 63 Ų | 63 | 18% | 0.176 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2 | 175.7 | -65.6 | 0 | 0 | 0 | 0 | 113.7 | D1633 K1654 A1655 | D1633-C1635 PolarHBondContact O-N 3.37Å; D1633-C1635 VanDerWaalsContact O-N 3.12Å; D1633-C1635 PolarHBondContact OD1-N 3.2Å; C1635-K1654 HydrophobicContact CB-CG 4.16Å; C1635-A1655 PolarHBondContact O-N 3.14Å |
| 1636 | K | 92.3 | Very high | 80.7 | Confident | 46 Ų | 46 | 64.7 Ų | 64.7 | 20% | 0.2 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 149.1 | 175.4 | -73.2 | -172 | -172.2 | 98.6 | 0 | 113.1 | I1630 D1633 E1634 V1652 L1653 K1654 K1661 | I1630-K1636 HydrophobicContact CB-CB 4.08Å; I1630-K1636 HydrophobicContact CD1-CB 4.24Å; I1630-K1636 HydrophobicContact CG2-CB 4.46Å; I1630-K1636 HydrophobicContact CG2-CD 4.47Å; D1633-K1636 HydrophobicContact CB-CB 4.12Å; D1633-K1636 HydrophobicContact CB-CD 3.79Å; D1633-K1636 HydrophobicContact CB-CG 3.72Å; D1633-K1636 VanDerWaalsContact CB-NZ 3.26Å; D1633-K1636 WeakPolarHBondContact O-CB 3.38Å; D1633-K1636 PolarHBondContact O-N 3.23Å; D1633-K1636 WeakPolarHBondContact OD2-CE 3.46Å; D1633-K1636 IonicContact OD2-NZ 2.71Å; D1633-K1636 PolarHBondContact OD2-NZ 3.12Å; E1634-K1636 VanDerWaalsContact C-N 3.31Å; K1636-V1652 HydrophobicContact CD-CG1 4.19Å; K1636-L1653 CarbonylContact C-O 3.55Å; K1636-L1653 VanDerWaalsContact CA-O 3.23Å; K1636-L1653 WeakPolarHBondContact CA-O 3.35Å; K1636-K1654 HydrophobicContact CG-CB 3.89Å; K1636-K1654 HydrophobicContact CG-CD 4.42Å; K1636-K1654 HydrophobicContact CG-CG 4.27Å; K1636-K1661 WeakPolarHBondContact O-CE 3.31Å; K1636-K1661 PolarHBondContact O-NZ 3.32Å |
| 1637 | F | 95 | Very high | 79.6 | Confident | 1 Ų | 1 | 68.9 Ų | 68.9 | 0% | 0.004 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 167.2 | 166.3 | 63.4 | -82.8 | 0 | 0 | 0 | 109.5 | F1574 V1626 T1627 I1630 L1639 L1653 K1661 V1665 L1668 | F1574-F1637 HydrophobicContact CD1-CE1 4.33Å; F1574-F1637 AromaticContact CE1-CE1 3.76Å; F1574-F1637 HydrophobicContact CE1-CE1 3.76Å; F1574-F1637 AromaticContact CE1-CZ 3.98Å; F1574-F1637 HydrophobicContact CE1-CZ 3.98Å; F1574-F1637 HydrophobicContact CZ-CZ 4.46Å; V1626-F1637 HydrophobicContact CG1-CD2 4.42Å; T1627-F1637 WeakPolarHBondContact O-CA 3.38Å; T1627-F1637 WeakPolarHBondContact O-CB 3.33Å; I1630-F1637 VanDerWaalsContact CD1-C 3.41Å; F1637-L1639 HydrophobicContact CD2-CD2 4.17Å; F1637-L1639 HydrophobicContact CD2-CG 4.47Å; F1637-L1639 HydrophobicContact CE2-CD2 3.97Å; F1637-L1639 HydrophobicContact CE2-CG 4.15Å; F1637-L1653 HydrophobicContact CD1-CB 4.48Å; F1637-L1653 HydrophobicContact CE1-CB 4.03Å; F1637-L1653 HydrophobicContact CE2-CB 4.22Å; F1637-L1653 HydrophobicContact CE2-CD1 4.08Å; F1637-L1653 HydrophobicContact CE2-CD2 4.31Å; F1637-L1653 HydrophobicContact CE2-CG 4.45Å; F1637-L1653 HydrophobicContact CZ-CB 3.89Å; F1637-L1653 HydrophobicContact CZ-CD1 4.5Å; F1637-L1653 HydrophobicContact CZ-CD2 4.04Å; F1637-L1653 HydrophobicContact CZ-CG 4.37Å; F1637-L1653 PolarHBondContact N-O 3.35Å; F1637-L1653 PolarHBondContact O-N 3.32Å; F1637-K1661 HydrophobicContact CD1-CD 4.27Å; F1637-K1661 HydrophobicContact CD1-CG 3.95Å; F1637-K1661 HydrophobicContact CE1-CG 4.48Å; F1637-V1665 HydrophobicContact CB-CG2 4.48Å; F1637-V1665 HydrophobicContact CD1-CG2 4.38Å; F1637-V1665 HydrophobicContact CD2-CG2 4.25Å; F1637-V1665 HydrophobicContact CG-CG2 4.14Å; F1637-L1668 HydrophobicContact CE2-CD1 4.48Å |
| 1638 | A | 90.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 150 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | T1627 I1630 R1650 T1651 V1652 | T1627-A1638 PolarHBondContact N-O 3.33Å; T1627-A1638 PolarHBondContact O-N 3.14Å; I1630-A1638 HydrophobicContact CD1-CB 4Å; A1638-R1650 HydrophobicContact CB-CG 3.85Å; A1638-T1651 CarbonylContact C-O 3.57Å; A1638-T1651 VanDerWaalsContact CA-O 3.24Å; A1638-T1651 WeakPolarHBondContact CA-O 3.41Å; A1638-T1651 WeakPolarHBondContact CB-O 3.32Å; A1638-V1652 HydrophobicContact CB-CG2 4.16Å |
| 1639 | L | 91.2 | Very high | 78.2 | Confident | 7 Ų | 7 | 72.1 Ų | 72.1 | 4% | 0.037 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 143.9 | 162.9 | -56.9 | -179.1 | 0 | 0 | 0 | 108.3 | L1598 I1624 N1625 V1626 F1637 R1650 T1651 L1653 L1668 | L1598-L1639 HydrophobicContact CD2-CD1 3.32Å; I1624-L1639 HydrophobicContact CG2-CB 4.18Å; I1624-L1639 HydrophobicContact CG2-CD1 4.43Å; I1624-L1639 HydrophobicContact CG2-CD2 3.82Å; I1624-L1639 HydrophobicContact CG2-CG 4.35Å; N1625-L1639 CarbonylContact O-C 3.55Å; N1625-L1639 WeakPolarHBondContact O-CA 3.42Å; V1626-L1639 HydrophobicContact CB-CD2 4.33Å; V1626-L1639 HydrophobicContact CG1-CD2 4.2Å; V1626-L1639 HydrophobicContact CG2-CD2 3.77Å; F1637-L1639 HydrophobicContact CD2-CD2 4.17Å; F1637-L1639 HydrophobicContact CD2-CG 4.47Å; F1637-L1639 HydrophobicContact CE2-CD2 3.97Å; F1637-L1639 HydrophobicContact CE2-CG 4.15Å; L1639-R1650 CarbonylContact O-C 3.51Å; L1639-R1650 WeakPolarHBondContact O-CA 3.5Å; L1639-T1651 PolarHBondContact N-O 3.08Å; L1639-T1651 PolarHBondContact O-N 2.83Å; L1639-T1651 VanDerWaalsContact O-O 3.08Å; L1639-L1653 HydrophobicContact CB-CD1 4.36Å; L1639-L1653 HydrophobicContact CD1-CD1 3.86Å; L1639-L1653 HydrophobicContact CG-CD1 3.74Å; L1639-L1668 HydrophobicContact CD2-CD1 3.98Å |
| 1640 | W | 87 | Confident | 78.3 | Confident | 37 Ų | 37 | 69.9 Ų | 69.9 | 14% | 0.14 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 147.6 | 175.7 | 50.3 | -86.8 | 0 | 0 | 0 | 111 | I1624 N1625 T1627 G1642 P1645 T1649 R1650 | I1624-W1640 CarbonylContact C-O 3.58Å; N1625-W1640 HydrophobicContact CB-CD2 3.65Å; N1625-W1640 VanDerWaalsContact CB-CE2 3.43Å; N1625-W1640 HydrophobicContact CB-CE3 3.85Å; N1625-W1640 HydrophobicContact CB-CG 4.38Å; N1625-W1640 HydrophobicContact CB-CH2 3.69Å; N1625-W1640 HydrophobicContact CB-CZ2 3.47Å; N1625-W1640 VanDerWaalsContact CB-CZ2 3.47Å; N1625-W1640 HydrophobicContact CB-CZ3 3.87Å; N1625-W1640 PolarHBondContact N-O 3.07Å; N1625-W1640 WeakPolarHBondContact ND2-CZ3 3.43Å; N1625-W1640 PolarHBondContact O-N 3.23Å; T1627-W1640 VanDerWaalsContact OG1-CD1 3.29Å; T1627-W1640 PolarHBondContact OG1-NE1 3.44Å; W1640-G1642 WeakPolarHBondContact CZ3-O 3.45Å; W1640-P1645 HydrophobicContact CB-CB 4.28Å; W1640-P1645 HydrophobicContact CD2-CB 3.62Å; W1640-P1645 HydrophobicContact CD2-CG 4.36Å; W1640-P1645 HydrophobicContact CE3-CB 4.02Å; W1640-P1645 HydrophobicContact CG-CB 3.74Å; W1640-P1645 HydrophobicContact CZ2-CB 4.42Å; W1640-P1645 HydrophobicContact CZ2-CG 4.3Å; W1640-T1649 WeakPolarHBondContact CA-O 3.02Å; W1640-R1650 HydrophobicContact CB-CB 4.47Å |
| 1641 | T | 79.2 | Confident | 78.6 | Confident | 32 Ų | 32 | 70 Ų | 70 | 20% | 0.196 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 145.7 | 177.8 | 56 | 0 | 0 | 0 | 0 | 110.9 | V1619 E1623 T1649 | V1619-T1641 HydrophobicContact CG1-CG2 3.63Å; E1623-T1641 HydrophobicContact CB-CG2 4.21Å; E1623-T1641 WeakPolarHBondContact O-CA 3.25Å; T1641-T1649 WeakPolarHBondContact O-CB 3.24Å; T1641-T1649 PolarHBondContact O-OG1 3.34Å; T1641-T1649 VanDerWaalsContact O-OG1 3.11Å; T1641-T1649 WeakPolarHBondContact OG1-CB 3.37Å |
| 1642 | G | 67.9 | Low | 79.3 | Confident | 47 Ų | 47 | 62.9 Ų | 62.9 | 49% | 0.485 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 100.4 | -169.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | N1625 W1640 | N1625-G1642 PolarHBondContact ND2-O 3.17Å; W1640-G1642 WeakPolarHBondContact CZ3-O 3.45Å |
| 1643 | H | 60 | Low | 80.1 | Confident | 183 Ų | 183 | 58.9 Ų | 58.9 | 85% | 0.847 | 32% | 0.315 | S | S | * | . | S | Bend | trans | -94.7 | -15.6 | -172.6 | -146.3 | -60 | 0 | 0 | 0 | 114.2 | ||
| 1644 | V | 61.9 | Low | 80.5 | Confident | 102 Ų | 102 | 60.5 Ų | 60.5 | 62% | 0.618 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -138.2 | 135.9 | 176.5 | -178.5 | 0 | 0 | 0 | 0 | 108.8 | V1646 | V1644-V1646 PolarHBondContact O-N 3.05Š|
| 1645 | P | 63.2 | Low | 81 | Confident | 66 Ų | 66 | 53.8 Ų | 53.8 | 43% | 0.429 | 29% | 0.289 | S | S | . | . | trans | -75.2 | 87.1 | -180 | 28.9 | -34.5 | 0 | 0 | 0 | 112.5 | W1640 | W1640-P1645 HydrophobicContact CB-CB 4.28Å; W1640-P1645 HydrophobicContact CD2-CB 3.62Å; W1640-P1645 HydrophobicContact CD2-CG 4.36Å; W1640-P1645 HydrophobicContact CE3-CB 4.02Å; W1640-P1645 HydrophobicContact CG-CB 3.74Å; W1640-P1645 HydrophobicContact CZ2-CB 4.42Å; W1640-P1645 HydrophobicContact CZ2-CG 4.3Å | ||
| 1646 | V | 68.2 | Low | 80.9 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 48% | 0.479 | 31% | 0.305 | S | S | . | . | trans | -77 | 151.8 | 165.6 | -68.2 | 0 | 0 | 0 | 0 | 111.1 | V1644 E1648 T1649 R1650 | V1644-V1646 PolarHBondContact O-N 3.05Å; V1646-E1648 PolarHBondContact O-N 3.04Å; V1646-T1649 HydrophobicContact CG2-CG2 3.84Å; V1646-T1649 PolarHBondContact O-N 3.16Å; V1646-T1649 VanDerWaalsContact O-N 3.14Å; V1646-T1649 PolarHBondContact O-OG1 3.47Å; V1646-R1650 PolarHBondContact O-N 3.35Å | ||
| 1647 | N | 66.9 | Low | 80.7 | Confident | 123 Ų | 123 | 57.4 Ų | 57.4 | 66% | 0.658 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -20.9 | -174.1 | -78.3 | -45.6 | 0 | 0 | 0 | 114.1 | P1579 | P1579-N1647 WeakPolarHBondContact CB-O 3.39Å; P1579-N1647 VanDerWaalsContact CG-O 3.24Å; P1579-N1647 WeakPolarHBondContact CG-O 3.41Å |
| 1648 | E | 67 | Low | 80.3 | Confident | 148 Ų | 148 | 60.9 Ų | 60.9 | 69% | 0.692 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -17.4 | -179 | -62.5 | 178.1 | -173.7 | 0 | 0 | 114.3 | P1579 R1580 V1646 | P1579-E1648 WeakPolarHBondContact CG-O 3.14Å; R1580-E1648 PolarHBondContact NE-O 2.89Å; V1646-E1648 PolarHBondContact O-N 3.04Å |
| 1649 | T | 75.3 | Confident | 80 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 17% | 0.166 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.5 | -15.7 | 170.4 | 65.3 | 0 | 0 | 0 | 0 | 112.8 | W1640 T1641 V1646 T1651 | W1640-T1649 WeakPolarHBondContact CA-O 3.02Å; T1641-T1649 WeakPolarHBondContact O-CB 3.24Å; T1641-T1649 PolarHBondContact O-OG1 3.34Å; T1641-T1649 VanDerWaalsContact O-OG1 3.11Å; T1641-T1649 WeakPolarHBondContact OG1-CB 3.37Å; V1646-T1649 HydrophobicContact CG2-CG2 3.84Å; V1646-T1649 PolarHBondContact O-N 3.16Å; V1646-T1649 VanDerWaalsContact O-N 3.14Å; V1646-T1649 PolarHBondContact O-OG1 3.47Å; T1649-T1651 PolarHBondContact O-N 3.26Å |
| 1650 | R | 81.5 | Confident | 80 | Confident | 82 Ų | 82 | 68.1 Ų | 68.1 | 31% | 0.309 | 37% | 0.369 | S | S | . | . | trans | -78.8 | 94.5 | -177 | -172.3 | -174.3 | 177.4 | -176.8 | 1.8 | 113.5 | P1579 A1638 L1639 W1640 V1646 | P1579-R1650 WeakPolarHBondContact CD-O 3.49Å; P1579-R1650 WeakPolarHBondContact CG-O 3.38Å; A1638-R1650 HydrophobicContact CB-CG 3.85Å; L1639-R1650 CarbonylContact O-C 3.51Å; L1639-R1650 WeakPolarHBondContact O-CA 3.5Å; W1640-R1650 HydrophobicContact CB-CB 4.47Å; V1646-R1650 PolarHBondContact O-N 3.35Å | ||
| 1651 | T | 87.8 | Confident | 80.2 | Confident | 28 Ų | 28 | 66.9 Ų | 66.9 | 17% | 0.172 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 133.7 | 167.5 | -22.3 | 0 | 0 | 0 | 0 | 110.1 | V1576 W1577 A1638 L1639 T1649 | V1576-T1651 HydrophobicContact CG1-CG2 3.74Å; W1577-T1651 WeakPolarHBondContact O-CG2 3.44Å; A1638-T1651 CarbonylContact C-O 3.57Å; A1638-T1651 VanDerWaalsContact CA-O 3.24Å; A1638-T1651 WeakPolarHBondContact CA-O 3.41Å; A1638-T1651 WeakPolarHBondContact CB-O 3.32Å; L1639-T1651 PolarHBondContact N-O 3.08Å; L1639-T1651 PolarHBondContact O-N 2.83Å; L1639-T1651 VanDerWaalsContact O-O 3.08Å; T1649-T1651 PolarHBondContact O-N 3.26Å |
| 1652 | V | 90.5 | Very high | 80.8 | Confident | 27 Ų | 27 | 69 Ų | 69 | 16% | 0.164 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 138.3 | 175.5 | 173 | 0 | 0 | 0 | 0 | 110.2 | V1576 W1577 I1630 K1636 A1638 | V1576-V1652 CarbonylContact C-O 3.57Å; V1576-V1652 WeakPolarHBondContact CA-O 3.5Å; W1577-V1652 HydrophobicContact CB-CB 4.25Å; W1577-V1652 HydrophobicContact CE3-CB 4.42Å; W1577-V1652 HydrophobicContact CE3-CG1 4Å; W1577-V1652 PolarHBondContact N-O 3.26Å; W1577-V1652 PolarHBondContact O-N 3.3Å; I1630-V1652 HydrophobicContact CD1-CB 4.32Å; I1630-V1652 HydrophobicContact CD1-CG1 3.62Å; I1630-V1652 HydrophobicContact CD1-CG2 3.85Å; K1636-V1652 HydrophobicContact CD-CG1 4.19Å; A1638-V1652 HydrophobicContact CB-CG2 4.16Å |
| 1653 | L | 94.5 | Very high | 81.7 | Confident | 2 Ų | 2 | 69.2 Ų | 69.2 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 143.7 | 178.3 | -61.2 | 86.1 | 0 | 0 | 0 | 110.1 | F1574 I1575 V1576 F1600 K1636 F1637 L1639 | F1574-L1653 HydrophobicContact CB-CD2 4.31Å; F1574-L1653 HydrophobicContact CD1-CB 4.04Å; F1574-L1653 HydrophobicContact CD1-CD2 4.18Å; F1574-L1653 HydrophobicContact CD2-CD2 4.5Å; F1574-L1653 HydrophobicContact CG-CD2 4.07Å; I1575-L1653 CarbonylContact O-C 3.55Å; I1575-L1653 WeakPolarHBondContact O-CA 3.4Å; V1576-L1653 HydrophobicContact CG2-CD2 4.33Å; V1576-L1653 HydrophobicContact CG2-CG 4.19Å; F1600-L1653 HydrophobicContact CE1-CD2 4.07Å; K1636-L1653 CarbonylContact C-O 3.55Å; K1636-L1653 VanDerWaalsContact CA-O 3.23Å; K1636-L1653 WeakPolarHBondContact CA-O 3.35Å; F1637-L1653 HydrophobicContact CD1-CB 4.48Å; F1637-L1653 HydrophobicContact CE1-CB 4.03Å; F1637-L1653 HydrophobicContact CE2-CB 4.22Å; F1637-L1653 HydrophobicContact CE2-CD1 4.08Å; F1637-L1653 HydrophobicContact CE2-CD2 4.31Å; F1637-L1653 HydrophobicContact CE2-CG 4.45Å; F1637-L1653 HydrophobicContact CZ-CB 3.89Å; F1637-L1653 HydrophobicContact CZ-CD1 4.5Å; F1637-L1653 HydrophobicContact CZ-CD2 4.04Å; F1637-L1653 HydrophobicContact CZ-CG 4.37Å; F1637-L1653 PolarHBondContact N-O 3.35Å; F1637-L1653 PolarHBondContact O-N 3.32Å; L1639-L1653 HydrophobicContact CB-CD1 4.36Å; L1639-L1653 HydrophobicContact CD1-CD1 3.86Å; L1639-L1653 HydrophobicContact CG-CD1 3.74Å |
| 1654 | K | 94.4 | Very high | 83.2 | Confident | 64 Ų | 64 | 60.8 Ų | 60.8 | 28% | 0.278 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.2 | 165.9 | 178.3 | 164.8 | 179 | 138.8 | 0 | 110.1 | F1574 I1575 W1577 D1633 C1635 K1636 | F1574-K1654 WeakPolarHBondContact CD1-O 3.44Å; I1575-K1654 HydrophobicContact CB-CB 4.34Å; I1575-K1654 PolarHBondContact N-O 3.21Å; I1575-K1654 PolarHBondContact O-N 2.99Å; W1577-K1654 HydrophobicContact CH2-CB 3.97Å; W1577-K1654 HydrophobicContact CZ3-CB 3.72Å; D1633-K1654 IonicContact OD1-NZ 2.69Å; D1633-K1654 PolarHBondContact OD1-NZ 3.19Å; D1633-K1654 WeakPolarHBondContact OD2-CD 3.46Å; D1633-K1654 IonicContact OD2-NZ 3.98Å; D1633-K1654 PolarHBondContact OD2-NZ 3.11Å; C1635-K1654 HydrophobicContact CB-CG 4.16Å; K1636-K1654 HydrophobicContact CG-CB 3.89Å; K1636-K1654 HydrophobicContact CG-CD 4.42Å; K1636-K1654 HydrophobicContact CG-CG 4.27Å |
| 1655 | A | 93.4 | Very high | 84.6 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 2% | 0.017 | 30% | 0.297 | C | S | . | . | trans | -73.5 | 155.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | F1574 C1635 T1657 K1661 | F1574-A1655 HydrophobicContact CD1-CB 4.37Å; F1574-A1655 HydrophobicContact CE1-CB 3.82Å; C1635-A1655 PolarHBondContact O-N 3.14Å; A1655-T1657 VanDerWaalsContact C-N 3.34Å; A1655-T1657 VanDerWaalsContact CB-O 3.31Å; A1655-T1657 WeakPolarHBondContact CB-O 3.41Å; A1655-K1661 HydrophobicContact CB-CB 3.76Å | ||
| 1656 | P | 91 | Very high | 85.7 | Confident | 79 Ų | 79 | 59.1 Ų | 59.1 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -68.7 | -31.8 | 172.3 | 28.2 | -34.6 | 0 | 0 | 0 | 112.6 | E1572 | E1572-P1656 HydrophobicContact CG-CG 4.28Å; E1572-P1656 WeakPolarHBondContact OE1-CG 3.47Å |
| 1657 | T | 89.4 | Confident | 86.5 | Confident | 69 Ų | 69 | 58.1 Ų | 58.1 | 42% | 0.423 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -137.3 | 162.3 | 177.3 | 69.7 | 0 | 0 | 0 | 0 | 111.6 | A1655 E1659 S1660 K1661 | A1655-T1657 VanDerWaalsContact C-N 3.34Å; A1655-T1657 VanDerWaalsContact CB-O 3.31Å; A1655-T1657 WeakPolarHBondContact CB-O 3.41Å; T1657-E1659 VanDerWaalsContact C-N 3.33Å; T1657-S1660 WeakPolarHBondContact OG1-CB 3.3Å; T1657-S1660 PolarHBondContact OG1-N 3.18Å; T1657-S1660 VanDerWaalsContact OG1-N 3.07Å; T1657-K1661 PolarHBondContact O-N 3.02Å |
| 1658 | L | 85 | Confident | 87.4 | Confident | 74 Ų | 74 | 52.4 Ų | 52.4 | 39% | 0.387 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -65.8 | -36.4 | 173.6 | -177.6 | 59.7 | 0 | 0 | 0 | 112 | K1661 L1662 | L1658-K1661 HydrophobicContact CD1-CD 4.37Å; L1658-K1661 WeakPolarHBondContact O-CB 3.42Å; L1658-K1661 PolarHBondContact O-N 3.17Å; L1658-L1662 HydrophobicContact CD1-CG 4.47Å; L1658-L1662 HydrophobicContact CG-CD1 4.11Å; L1658-L1662 VanDerWaalsContact O-CG 3.31Å; L1658-L1662 WeakPolarHBondContact O-CG 3.28Å; L1658-L1662 PolarHBondContact O-N 3.4Å |
| 1659 | E | 85.8 | Confident | 88.1 | Confident | 152 Ų | 152 | 50.8 Ų | 50.8 | 71% | 0.71 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -64.8 | -40.3 | 177.1 | -174.8 | 176.5 | -163.7 | 0 | 0 | 112.6 | T1657 L1662 T1663 | T1657-E1659 VanDerWaalsContact C-N 3.33Å; E1659-L1662 PolarHBondContact O-N 3.09Å; E1659-T1663 WeakPolarHBondContact O-CB 3.32Å; E1659-T1663 PolarHBondContact O-N 3.18Å; E1659-T1663 PolarHBondContact O-OG1 3.02Å |
| 1660 | S | 90.3 | Very high | 88.2 | Confident | 8 Ų | 8 | 53 Ų | 53 | 6% | 0.056 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56.4 | -55.5 | 169.4 | 157.5 | 0 | 0 | 0 | 0 | 110.6 | E1572 T1657 L1662 T1663 W1664 | E1572-S1660 VanDerWaalsContact OE1-CB 3.29Å; E1572-S1660 WeakPolarHBondContact OE1-CB 3.15Å; E1572-S1660 PolarHBondContact OE1-OG 3.1Å; E1572-S1660 VanDerWaalsContact OE1-OG 3.13Å; E1572-S1660 WeakPolarHBondContact OE2-CB 3.49Å; E1572-S1660 PolarHBondContact OE2-OG 3.19Å; T1657-S1660 WeakPolarHBondContact OG1-CB 3.3Å; T1657-S1660 PolarHBondContact OG1-N 3.18Å; T1657-S1660 VanDerWaalsContact OG1-N 3.07Å; S1660-L1662 VanDerWaalsContact C-N 3.33Å; S1660-L1662 PolarHBondContact O-N 3.34Å; S1660-T1663 PolarHBondContact O-N 2.95Å; S1660-T1663 VanDerWaalsContact O-N 3.08Å; S1660-W1664 VanDerWaalsContact O-CD1 3.31Å; S1660-W1664 PolarHBondContact O-N 3.13Å |
| 1661 | K | 92 | Very high | 88 | Confident | 11 Ų | 11 | 49.9 Ų | 49.9 | 5% | 0.048 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -52.3 | -49.9 | 177.4 | 168.9 | 178.7 | 164.7 | 177 | 0 | 111.8 | E1628 E1634 K1636 F1637 A1655 T1657 L1658 T1663 W1664 V1665 | E1628-K1661 WeakPolarHBondContact O-CE 3.37Å; E1628-K1661 PolarHBondContact O-NZ 3.23Å; E1634-K1661 WeakPolarHBondContact O-CD 3.17Å; E1634-K1661 WeakPolarHBondContact O-CE 3.38Å; E1634-K1661 PolarHBondContact O-NZ 3.12Å; K1636-K1661 WeakPolarHBondContact O-CE 3.31Å; K1636-K1661 PolarHBondContact O-NZ 3.32Å; F1637-K1661 HydrophobicContact CD1-CD 4.27Å; F1637-K1661 HydrophobicContact CD1-CG 3.95Å; F1637-K1661 HydrophobicContact CE1-CG 4.48Å; A1655-K1661 HydrophobicContact CB-CB 3.76Å; T1657-K1661 PolarHBondContact O-N 3.02Å; L1658-K1661 HydrophobicContact CD1-CD 4.37Å; L1658-K1661 WeakPolarHBondContact O-CB 3.42Å; L1658-K1661 PolarHBondContact O-N 3.17Å; K1661-T1663 VanDerWaalsContact C-N 3.28Å; K1661-T1663 PolarHBondContact O-N 2.95Å; K1661-W1664 PolarHBondContact O-N 3.36Å; K1661-V1665 HydrophobicContact CG-CG2 4.14Å; K1661-V1665 WeakPolarHBondContact O-CB 3.25Å; K1661-V1665 VanDerWaalsContact O-CG2 3.27Å; K1661-V1665 WeakPolarHBondContact O-CG2 3.32Å; K1661-V1665 PolarHBondContact O-N 3.46Å |
| 1662 | L | 90.6 | Very high | 87.3 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 40% | 0.398 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -61.8 | -37.3 | -178.7 | -71.8 | 168.7 | 0 | 0 | 0 | 111.9 | L1658 E1659 S1660 R1666 | L1658-L1662 HydrophobicContact CD1-CG 4.47Å; L1658-L1662 HydrophobicContact CG-CD1 4.11Å; L1658-L1662 VanDerWaalsContact O-CG 3.31Å; L1658-L1662 WeakPolarHBondContact O-CG 3.28Å; L1658-L1662 PolarHBondContact O-N 3.4Å; E1659-L1662 PolarHBondContact O-N 3.09Å; S1660-L1662 VanDerWaalsContact C-N 3.33Å; S1660-L1662 PolarHBondContact O-N 3.34Å; L1662-R1666 VanDerWaalsContact O-CB 3.23Å; L1662-R1666 WeakPolarHBondContact O-CB 3.34Å; L1662-R1666 PolarHBondContact O-N 2.86Å |
| 1663 | T | 86.3 | Confident | 86 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 32% | 0.319 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -69.3 | -46 | 177.8 | -59.3 | 0 | 0 | 0 | 0 | 112 | L1570 E1659 S1660 K1661 R1666 R1667 | L1570-T1663 HydrophobicContact CD1-CG2 4.41Å; L1570-T1663 HydrophobicContact CD2-CG2 4.29Å; E1659-T1663 WeakPolarHBondContact O-CB 3.32Å; E1659-T1663 PolarHBondContact O-N 3.18Å; E1659-T1663 PolarHBondContact O-OG1 3.02Å; S1660-T1663 PolarHBondContact O-N 2.95Å; S1660-T1663 VanDerWaalsContact O-N 3.08Å; K1661-T1663 VanDerWaalsContact C-N 3.28Å; K1661-T1663 PolarHBondContact O-N 2.95Å; T1663-R1666 PolarHBondContact O-N 2.71Å; T1663-R1667 PolarHBondContact O-N 3.33Å |
| 1664 | W | 93.1 | Very high | 84.1 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 2% | 0.019 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.3 | -84 | 81.7 | 0 | 0 | 0 | 112.9 | L1570 E1572 F1574 V1591 L1593 L1598 S1660 K1661 R1666 R1667 L1668 | L1570-W1664 HydrophobicContact CB-CD2 4.32Å; L1570-W1664 HydrophobicContact CB-CH2 3.99Å; L1570-W1664 HydrophobicContact CB-CZ2 3.61Å; L1570-W1664 HydrophobicContact CD1-CD2 3.9Å; L1570-W1664 HydrophobicContact CD1-CE3 4.42Å; L1570-W1664 HydrophobicContact CD1-CG 3.94Å; E1572-W1664 HydrophobicContact CB-CZ2 3.8Å; E1572-W1664 PolarHBondContact OE2-NE1 3.46Å; F1574-W1664 AromaticContact CE2-CD2 3.86Å; F1574-W1664 HydrophobicContact CE2-CD2 3.86Å; F1574-W1664 AromaticContact CE2-CE2 3.55Å; F1574-W1664 HydrophobicContact CE2-CE3 4.24Å; F1574-W1664 HydrophobicContact CE2-CG 4.41Å; F1574-W1664 HydrophobicContact CE2-CH2 4.1Å; F1574-W1664 AromaticContact CE2-CZ2 3.7Å; F1574-W1664 HydrophobicContact CE2-CZ2 3.7Å; F1574-W1664 HydrophobicContact CE2-CZ3 4.33Å; F1574-W1664 AromaticContact CE2-NE1 3.87Å; F1574-W1664 AromaticContact CZ-CD1 3.73Å; F1574-W1664 AromaticContact CZ-CD2 3.66Å; F1574-W1664 HydrophobicContact CZ-CD2 3.66Å; F1574-W1664 AromaticContact CZ-CE2 3.66Å; F1574-W1664 HydrophobicContact CZ-CE3 4.27Å; F1574-W1664 AromaticContact CZ-CG 3.74Å; F1574-W1664 HydrophobicContact CZ-CG 3.74Å; F1574-W1664 HydrophobicContact CZ-CZ2 4.29Å; F1574-W1664 AromaticContact CZ-NE1 3.64Å; V1591-W1664 HydrophobicContact CB-CH2 4.2Å; V1591-W1664 HydrophobicContact CG1-CH2 3.99Å; V1591-W1664 HydrophobicContact CG1-CZ3 4.01Å; L1593-W1664 HydrophobicContact CB-CE3 4.5Å; L1593-W1664 HydrophobicContact CB-CH2 3.96Å; L1593-W1664 HydrophobicContact CB-CZ3 3.69Å; L1593-W1664 HydrophobicContact CD2-CE3 4.47Å; L1593-W1664 HydrophobicContact CD2-CZ3 4.43Å; L1598-W1664 HydrophobicContact CD1-CZ3 3.83Å; S1660-W1664 VanDerWaalsContact O-CD1 3.31Å; S1660-W1664 PolarHBondContact O-N 3.13Å; K1661-W1664 PolarHBondContact O-N 3.36Å; W1664-R1666 VanDerWaalsContact C-N 3.3Å; W1664-R1666 PolarHBondContact O-N 3.12Å; W1664-R1667 PolarHBondContact O-N 3.24Å; W1664-L1668 WeakPolarHBondContact O-CB 3.38Å; W1664-L1668 VanDerWaalsContact O-CG 3.28Å; W1664-L1668 WeakPolarHBondContact O-CG 3.4Å; W1664-L1668 PolarHBondContact O-N 2.96Å |
| 1665 | V | 90.8 | Very high | 82.1 | Confident | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -67 | -32.8 | 179.2 | 174.8 | 0 | 0 | 0 | 0 | 111.2 | V1626 E1628 F1637 K1661 R1669 | V1626-V1665 HydrophobicContact CG1-CG1 4.21Å; V1626-V1665 HydrophobicContact CG1-CG2 4.32Å; E1628-V1665 HydrophobicContact CB-CG1 4.22Å; E1628-V1665 HydrophobicContact CG-CG1 4.07Å; F1637-V1665 HydrophobicContact CB-CG2 4.48Å; F1637-V1665 HydrophobicContact CD1-CG2 4.38Å; F1637-V1665 HydrophobicContact CD2-CG2 4.25Å; F1637-V1665 HydrophobicContact CG-CG2 4.14Å; K1661-V1665 HydrophobicContact CG-CG2 4.14Å; K1661-V1665 WeakPolarHBondContact O-CB 3.25Å; K1661-V1665 VanDerWaalsContact O-CG2 3.27Å; K1661-V1665 WeakPolarHBondContact O-CG2 3.32Å; K1661-V1665 PolarHBondContact O-N 3.46Å; V1665-R1669 WeakPolarHBondContact O-CB 3.47Å; V1665-R1669 WeakPolarHBondContact O-CG 3.36Å; V1665-R1669 PolarHBondContact O-N 3.19Å |
| 1666 | R | 86.4 | Confident | 79.6 | Confident | 134 Ų | 134 | 63.2 Ų | 63.2 | 51% | 0.506 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.6 | -56 | 171.2 | -167.4 | -166.9 | -63.8 | 105.1 | 1.6 | 111.4 | L1662 T1663 W1664 L1668 R1669 E1670 | L1662-R1666 VanDerWaalsContact O-CB 3.23Å; L1662-R1666 WeakPolarHBondContact O-CB 3.34Å; L1662-R1666 PolarHBondContact O-N 2.86Å; T1663-R1666 PolarHBondContact O-N 2.71Å; W1664-R1666 VanDerWaalsContact C-N 3.3Å; W1664-R1666 PolarHBondContact O-N 3.12Å; R1666-L1668 VanDerWaalsContact C-N 3.31Å; R1666-L1668 PolarHBondContact O-N 3.02Å; R1666-R1669 PolarHBondContact O-N 2.74Å; R1666-E1670 WeakPolarHBondContact CG-OE1 3.31Å; R1666-E1670 WeakPolarHBondContact O-CG 3.46Å; R1666-E1670 PolarHBondContact O-N 3.34Å |
| 1667 | R | 84.3 | Confident | 76.9 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 22% | 0.215 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.3 | -37.2 | -179 | -169.1 | 72.7 | -165.2 | 114.3 | 9.4 | 112.3 | L1569 L1570 L1593 D1595 T1663 W1664 E1670 L1671 | L1569-R1667 HydrophobicContact CD1-CG 4.47Å; L1570-R1667 HydrophobicContact CD1-CB 3.82Å; L1570-R1667 HydrophobicContact CD1-CG 4.17Å; L1593-R1667 HydrophobicContact CD2-CB 4.26Å; L1593-R1667 HydrophobicContact CD2-CG 3.81Å; D1595-R1667 IonicContact OD1-NH2 3.67Å; D1595-R1667 PolarHBondContact OD1-NH2 3.42Å; T1663-R1667 PolarHBondContact O-N 3.33Å; W1664-R1667 PolarHBondContact O-N 3.24Å; R1667-E1670 WeakPolarHBondContact CD-OE2 3.49Å; R1667-E1670 IonicContact CZ-OE2 2.71Å; R1667-E1670 IonicContact NE-OE2 3.15Å; R1667-E1670 IonicContact NH1-OE2 2.74Å; R1667-E1670 PolarHBondContact NH1-OE2 3.46Å; R1667-E1670 PolarHBondContact O-N 2.78Å; R1667-L1671 WeakPolarHBondContact O-CG 3.37Å; R1667-L1671 PolarHBondContact O-N 3.21Å; R1667-L1671 VanDerWaalsContact O-N 3.13Å |
| 1668 | L | 87 | Confident | 74.2 | Confident | 3 Ų | 3 | 70 Ų | 70 | 2% | 0.016 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 172.7 | -74.3 | 168.9 | 0 | 0 | 0 | 112.3 | L1593 V1626 F1637 L1639 W1664 R1666 I1672 | L1593-L1668 HydrophobicContact CD1-CD2 3.83Å; L1593-L1668 HydrophobicContact CD2-CD2 4.23Å; L1593-L1668 HydrophobicContact CD2-CG 4.4Å; V1626-L1668 HydrophobicContact CG2-CB 4.09Å; V1626-L1668 HydrophobicContact CG2-CD1 4.36Å; F1637-L1668 HydrophobicContact CE2-CD1 4.48Å; L1639-L1668 HydrophobicContact CD2-CD1 3.98Å; W1664-L1668 WeakPolarHBondContact O-CB 3.38Å; W1664-L1668 VanDerWaalsContact O-CG 3.28Å; W1664-L1668 WeakPolarHBondContact O-CG 3.4Å; W1664-L1668 PolarHBondContact O-N 2.96Å; R1666-L1668 VanDerWaalsContact C-N 3.31Å; R1666-L1668 PolarHBondContact O-N 3.02Å; L1668-I1672 WeakPolarHBondContact O-CB 3.26Å; L1668-I1672 WeakPolarHBondContact O-CD1 3.27Å; L1668-I1672 WeakPolarHBondContact O-CG1 3.38Å; L1668-I1672 PolarHBondContact O-N 2.78Å |
| 1669 | R | 80.8 | Confident | 71.5 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -69.7 | -32.9 | 175.6 | -81.8 | -165.4 | -76.3 | -128.7 | -0.1 | 113.2 | E1628 V1665 R1666 S1673 | E1628-R1669 IonicContact OE1-CZ 2.78Å; E1628-R1669 IonicContact OE1-NH2 3.67Å; E1628-R1669 PolarHBondContact OE1-NH2 3.27Å; E1628-R1669 IonicContact OE2-CZ 2.81Å; E1628-R1669 VanDerWaalsContact OE2-CZ 3.23Å; E1628-R1669 IonicContact OE2-NH1 2.96Å; E1628-R1669 PolarHBondContact OE2-NH1 3.28Å; E1628-R1669 IonicContact OE2-NH2 3.7Å; E1628-R1669 PolarHBondContact OE2-NH2 3.46Å; V1665-R1669 WeakPolarHBondContact O-CB 3.47Å; V1665-R1669 WeakPolarHBondContact O-CG 3.36Å; V1665-R1669 PolarHBondContact O-N 3.19Å; R1666-R1669 PolarHBondContact O-N 2.74Å; R1669-S1673 WeakPolarHBondContact O-CB 3.42Å; R1669-S1673 PolarHBondContact O-N 3.35Å; R1669-S1673 PolarHBondContact O-OG 3.06Å |
| 1670 | E | 78 | Confident | 68.7 | Low | 75 Ų | 75 | 73.2 Ų | 73.2 | 35% | 0.35 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -59.1 | -57.3 | 170.3 | -69.6 | 161.2 | -159.1 | 0 | 0 | 110.2 | R1666 R1667 I1672 S1673 D1674 | R1666-E1670 WeakPolarHBondContact CG-OE1 3.31Å; R1666-E1670 WeakPolarHBondContact O-CG 3.46Å; R1666-E1670 PolarHBondContact O-N 3.34Å; R1667-E1670 WeakPolarHBondContact CD-OE2 3.49Å; R1667-E1670 IonicContact CZ-OE2 2.71Å; R1667-E1670 IonicContact NE-OE2 3.15Å; R1667-E1670 IonicContact NH1-OE2 2.74Å; R1667-E1670 PolarHBondContact NH1-OE2 3.46Å; R1667-E1670 PolarHBondContact O-N 2.78Å; E1670-I1672 VanDerWaalsContact C-N 3.3Å; E1670-I1672 PolarHBondContact O-N 2.91Å; E1670-S1673 WeakPolarHBondContact O-CA 3.48Å; E1670-S1673 WeakPolarHBondContact O-CB 3.32Å; E1670-S1673 PolarHBondContact O-N 2.71Å; E1670-D1674 PolarHBondContact O-N 2.85Å |
| 1671 | L | 76.8 | Confident | 65.6 | Low | 16 Ų | 16 | 79.4 Ų | 79.4 | 8% | 0.084 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.5 | -37.5 | 178.8 | -66.8 | 170.1 | 0 | 0 | 0 | 113.4 | L1569 L1593 D1595 T1621 R1667 S1673 R1675 | L1569-L1671 HydrophobicContact CD1-CD1 3.76Å; L1569-L1671 HydrophobicContact CD1-CD2 4.17Å; L1569-L1671 HydrophobicContact CD1-CG 4.42Å; L1593-L1671 HydrophobicContact CD1-CD1 3.92Å; L1593-L1671 HydrophobicContact CD2-CD1 4.11Å; L1593-L1671 HydrophobicContact CG-CD1 4.2Å; D1595-L1671 HydrophobicContact CB-CD2 4.46Å; T1621-L1671 HydrophobicContact CG2-CD1 4.22Å; R1667-L1671 WeakPolarHBondContact O-CG 3.37Å; R1667-L1671 PolarHBondContact O-N 3.21Å; R1667-L1671 VanDerWaalsContact O-N 3.13Å; L1671-S1673 VanDerWaalsContact C-N 3.33Å; L1671-R1675 PolarHBondContact O-N 2.89Å |
| 1672 | I | 71.9 | Confident | 62.5 | Low | 36 Ų | 36 | 84.9 Ų | 84.9 | 19% | 0.185 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -70.4 | -30.4 | 175.9 | -69.7 | 166.2 | 0 | 0 | 0 | 111.7 | I1624 V1626 L1668 E1670 R1675 | I1624-I1672 WeakPolarHBondContact O-CD1 3.23Å; V1626-I1672 HydrophobicContact CG2-CD1 3.66Å; L1668-I1672 WeakPolarHBondContact O-CB 3.26Å; L1668-I1672 WeakPolarHBondContact O-CD1 3.27Å; L1668-I1672 WeakPolarHBondContact O-CG1 3.38Å; L1668-I1672 PolarHBondContact O-N 2.78Å; E1670-I1672 VanDerWaalsContact C-N 3.3Å; E1670-I1672 PolarHBondContact O-N 2.91Å; I1672-R1675 WeakPolarHBondContact O-CB 3.2Å |
| 1673 | S | 63.6 | Low | 59.3 | Low | 68 Ų | 68 | 90.5 Ų | 90.5 | 48% | 0.476 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75 | -40.3 | 175.3 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | R1669 E1670 L1671 R1675 I1676 | R1669-S1673 WeakPolarHBondContact O-CB 3.42Å; R1669-S1673 PolarHBondContact O-N 3.35Å; R1669-S1673 PolarHBondContact O-OG 3.06Å; E1670-S1673 WeakPolarHBondContact O-CA 3.48Å; E1670-S1673 WeakPolarHBondContact O-CB 3.32Å; E1670-S1673 PolarHBondContact O-N 2.71Å; L1671-S1673 VanDerWaalsContact C-N 3.33Å; S1673-R1675 PolarHBondContact O-N 2.96Å; S1673-I1676 WeakPolarHBondContact O-CB 3.45Å; S1673-I1676 PolarHBondContact O-N 2.87Å |
| 1674 | D | 55.4 | Low | 56.2 | Low | 76 Ų | 76 | 95.6 Ų | 95.6 | 41% | 0.406 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.2 | -25.2 | 178.2 | -73.8 | -32.7 | 0 | 0 | 0 | 112.7 | E1670 I1676 L1677 Q1678 | E1670-D1674 PolarHBondContact O-N 2.85Å; D1674-I1676 PolarHBondContact O-N 3.1Å; D1674-I1676 VanDerWaalsContact O-N 3.08Å; D1674-L1677 PolarHBondContact O-N 2.87Å; D1674-Q1678 PolarHBondContact O-N 3.04Å |
| 1675 | R | 51.6 | Low | 53 | Low | 77 Ų | 77 | 100.4 Ų | 100.4 | 29% | 0.291 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.5 | -32 | 168.9 | -65.2 | -177.8 | -176 | 166.1 | 2.8 | 113.8 | T1621 S1622 I1624 L1671 I1672 S1673 L1677 | T1621-R1675 PolarHBondContact O-NE 2.99Å; T1621-R1675 PolarHBondContact O-NH2 2.88Å; S1622-R1675 PolarHBondContact O-NE 3.31Å; S1622-R1675 PolarHBondContact O-NH1 2.89Å; S1622-R1675 PolarHBondContact O-NH2 2.93Å; I1624-R1675 VanDerWaalsContact N-NH2 3.13Å; I1624-R1675 PolarHBondContact O-NH1 2.87Å; I1624-R1675 PolarHBondContact O-NH2 3.23Å; L1671-R1675 PolarHBondContact O-N 2.89Å; I1672-R1675 WeakPolarHBondContact O-CB 3.2Å; S1673-R1675 PolarHBondContact O-N 2.96Å; R1675-L1677 PolarHBondContact O-N 2.94Å |
| 1676 | I | 41.1 | Very low | 49.8 | Very low | 145 Ų | 145 | 105.4 Ų | 105.4 | 74% | 0.744 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -16.4 | -176.5 | -57.5 | 177.7 | 0 | 0 | 0 | 110.8 | S1673 D1674 | S1673-I1676 WeakPolarHBondContact O-CB 3.45Å; S1673-I1676 PolarHBondContact O-N 2.87Å; D1674-I1676 PolarHBondContact O-N 3.1Å; D1674-I1676 VanDerWaalsContact O-N 3.08Å |
| 1677 | L | 34.1 | Very low | 46.8 | Very low | 145 Ų | 145 | 103.1 Ų | 103.1 | 76% | 0.759 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -125.6 | -26.4 | -172.2 | -68.2 | 173.4 | 0 | 0 | 0 | 115.1 | D1674 R1675 | D1674-L1677 PolarHBondContact O-N 2.87Å; R1675-L1677 PolarHBondContact O-N 2.94Å |
| 1678 | Q | 32.9 | Very low | 43.8 | Very low | 147 Ų | 147 | 111.7 Ų | 111.7 | 69% | 0.687 | 57% | 0.565 | S | S | * | * | trans | -145.9 | 95.2 | -175.5 | -64 | -173.8 | 49.4 | 0 | 0 | 113.4 | D1674 | D1674-Q1678 PolarHBondContact O-N 3.04Š| ||
| 1679 | F | 29.6 | Very low | 40.6 | Very low | 147 Ų | 147 | 119 Ų | 119 | 65% | 0.645 | 60% | 0.603 | S | S | * | * | trans | -160 | 94.5 | 144.2 | -119.3 | -72.5 | 0 | 0 | 0 | 113.2 | I1596 L1681 | I1596-F1679 HydrophobicContact CG2-CE2 4.16Å; I1596-F1679 HydrophobicContact CG2-CZ 3.64Å; F1679-L1681 HydrophobicContact CD1-CB 4.32Å; F1679-L1681 HydrophobicContact CE1-CB 4.05Å; F1679-L1681 HydrophobicContact CE1-CD1 4.32Å | ||
| 1680 | E | 26.8 | Very low | 37.7 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 68% | 0.678 | 63% | 0.625 | S | S | * | * | trans | -117.5 | 104.1 | 151.2 | -79.4 | -155.5 | 129.1 | 0 | 0 | 108.3 | R1023 | R1023-E1680 WeakPolarHBondContact CD-OE1 3.48Å; R1023-E1680 IonicContact CZ-OE1 3.12Å; R1023-E1680 IonicContact NE-OE1 2.68Å; R1023-E1680 PolarHBondContact NE-OE1 3.06Å; R1023-E1680 IonicContact NH2-OE1 2.64Å | ||
| 1681 | L | 25.6 | Very low | 35 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 73% | 0.728 | 65% | 0.648 | S | S | * | * | trans | -146.6 | 142.1 | 165.3 | -100.1 | 173.5 | 0 | 0 | 0 | 109.3 | F1679 | F1679-L1681 HydrophobicContact CD1-CB 4.32Å; F1679-L1681 HydrophobicContact CE1-CB 4.05Å; F1679-L1681 HydrophobicContact CE1-CD1 4.32Å | ||
| 1682 | P | 25.9 | Very low | 32.4 | Very low | 126 Ų | 126 | 137.2 Ų | 137.2 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | trans | -71.8 | 155 | -170.2 | -21.5 | 34.9 | 0 | 0 | 0 | 115.6 | ||||
| 1683 | Y | 23.5 | Very low | 30 | Very low | 194 Ų | 194 | 139.5 Ų | 139.5 | 76% | 0.761 | 71% | 0.707 | S | S | * | * | trans | -85.1 | 133.9 | -175.5 | -144.8 | -109.4 | 0 | 0 | 0 | 112.1 | ||||
| 1684 | L | 21.5 | Very low | 28 | Very low | 159 Ų | 159 | 143 Ų | 143 | 83% | 0.832 | 72% | 0.72 | S | S | * | * | trans | -110 | 128 | 164.1 | -94.7 | 167.5 | 0 | 0 | 0 | 109.3 | ||||
| 1685 | P | 25.8 | Very low | 26.2 | Very low | 105 Ų | 105 | 149.8 Ų | 149.8 | 68% | 0.682 | 75% | 0.747 | S | S | * | * | trans | -80.1 | 127.9 | -168.5 | -13.5 | 29.9 | 0 | 0 | 0 | 113.5 | A1687 | P1685-A1687 PolarHBondContact O-N 2.92Š| ||
| 1686 | P | 23.5 | Very low | 24.7 | Very low | 105 Ų | 105 | 150.9 Ų | 150.9 | 68% | 0.682 | 77% | 0.766 | S | S | * | * | trans | -80.2 | 112.9 | 173.7 | 31.1 | -32.3 | 0 | 0 | 0 | 111 | ||||
| 1687 | A | 22.8 | Very low | 23.7 | Very low | 87 Ų | 87 | 148.4 Ų | 148.4 | 72% | 0.719 | 77% | 0.768 | S | S | * | * | trans | -107 | 134.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | P1685 | P1685-A1687 PolarHBondContact O-N 2.92Š| ||
| 1688 | R | 21 | Very low | 23 | Very low | 236 Ų | 236 | 150.6 Ų | 150.6 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 79.7 | 145.7 | 163.8 | -58 | -175.7 | 171.8 | -163.5 | -5.2 | 119.6 | ||||
| 1689 | L | 21.1 | Very low | 22.3 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 83% | 0.827 | 78% | 0.777 | S | S | * | * | trans | 68 | 95.7 | 155.3 | -71.4 | 159.2 | 0 | 0 | 0 | 119.1 | ||||
| 1690 | R | 19.7 | Very low | 21.8 | Very low | 231 Ų | 231 | 150.2 Ų | 150.2 | 87% | 0.872 | 79% | 0.786 | S | S | * | * | -160.7 | 114.9 | 98 | -104 | 167.8 | -176.2 | 153.2 | 6.4 | 112.3 | |||||
| 1691 | Q | 22 | Very low | 21.5 | Very low | 179 Ų | 179 | 151.7 Ų | 151.7 | 84% | 0.836 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 160.1 | 160.1 | -115 | 170.3 | -19.4 | 0 | 0 | 110.2 | ||
| 1692 | Q | 22.2 | Very low | 21.4 | Very low | 177 Ų | 177 | 151.2 Ų | 151.2 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -64.2 | 156.2 | -171.9 | -63.3 | 98.8 | -44.3 | 0 | 0 | 113.7 | ||
| 1693 | A | 20.7 | Very low | 21.4 | Very low | 83 Ų | 83 | 157.4 Ų | 157.4 | 69% | 0.686 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -89.8 | 144.8 | 149.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||
| 1694 | N | 20.8 | Very low | 21.2 | Very low | 142 Ų | 142 | 154.3 Ų | 154.3 | 76% | 0.759 | 79% | 0.793 | S | S | * | * | -170.3 | 102.1 | 127.5 | -94 | -11.2 | 0 | 0 | 0 | 110.8 | |||||
| 1695 | F | 18 | Very low | 21.4 | Very low | 219 Ų | 219 | 152.3 Ų | 152.3 | 96% | 0.961 | 79% | 0.792 | S | S | * | * | trans | -98.8 | 119.5 | 150.8 | -109 | -88.3 | 0 | 0 | 0 | 107.1 | ||||
| 1696 | S | 20.2 | Very low | 21.3 | Very low | 99 Ų | 99 | 153.5 Ų | 153.5 | 69% | 0.692 | 79% | 0.793 | S | S | * | * | trans | -154.3 | 95.6 | 167.9 | 53.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1697 | A | 20.6 | Very low | 21.2 | Very low | 94 Ų | 94 | 157.3 Ų | 157.3 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | 90 | 84.6 | 59.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1698 | E | 18.5 | Very low | 21.1 | Very low | 191 Ų | 191 | 157.3 Ų | 157.3 | 89% | 0.893 | 80% | 0.796 | S | S | * | * | trans | -164.8 | 102.6 | 158.4 | -103.4 | 159.5 | -154.4 | 0 | 0 | 104.6 | ||||
| 1699 | S | 19.1 | Very low | 21.1 | Very low | 107 Ų | 107 | 153.6 Ų | 153.6 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | 63.5 | 79.2 | 75.3 | -76.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1700 | E | 19.8 | Very low | 21.3 | Very low | 178 Ų | 178 | 153.2 Ų | 153.2 | 83% | 0.832 | 80% | 0.799 | S | S | * | * | 42.9 | 103.1 | 128.6 | -58.8 | 176.1 | 131.8 | 0 | 0 | 119.1 | |||||
| 1701 | Q | 20 | Very low | 21.5 | Very low | 177 Ų | 177 | 145.4 Ų | 145.4 | 83% | 0.827 | 79% | 0.79 | S | S | * | * | trans | -166.2 | 143.4 | 137.3 | -111.8 | 162.2 | 54.1 | 0 | 0 | 115.6 | ||||
| 1702 | N | 22 | Very low | 21.5 | Very low | 128 Ų | 128 | 142.6 Ų | 142.6 | 68% | 0.684 | 79% | 0.79 | S | S | * | * | trans | 53 | 96.3 | 148.4 | -61.7 | -28.8 | 0 | 0 | 0 | 120.9 | ||||
| 1703 | R | 25.8 | Very low | 21.6 | Very low | 257 Ų | 257 | 138 Ų | 138 | 97% | 0.97 | 78% | 0.782 | S | S | * | * | -153.3 | 142.5 | 118.9 | -112.7 | 172.3 | -172.3 | -171.7 | 1.9 | 111.6 | |||||
| 1704 | I | 20.8 | Very low | 21.8 | Very low | 129 Ų | 129 | 141 Ų | 141 | 66% | 0.662 | 79% | 0.787 | S | S | * | * | trans | -139.2 | 126.7 | -170.6 | -63.4 | 174.9 | 0 | 0 | 0 | 109.8 | N1706 | I1704-N1706 VanDerWaalsContact CG2-CG 3.48Å; I1704-N1706 VanDerWaalsContact CG2-OD1 3.23Å; I1704-N1706 WeakPolarHBondContact CG2-OD1 3.19Å | ||
| 1705 | S | 26.1 | Very low | 22 | Very low | 116 Ų | 116 | 139.6 Ų | 139.6 | 81% | 0.811 | 78% | 0.783 | S | S | * | * | trans | -167.4 | 69.6 | 163 | 55.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1706 | N | 22.4 | Very low | 22.3 | Very low | 130 Ų | 130 | 137.5 Ų | 137.5 | 70% | 0.695 | 78% | 0.777 | S | S | * | * | 64.9 | 134.3 | 84.9 | -79.5 | -8.3 | 0 | 0 | 0 | 115.3 | I1704 | I1704-N1706 VanDerWaalsContact CG2-CG 3.48Å; I1704-N1706 VanDerWaalsContact CG2-OD1 3.23Å; I1704-N1706 WeakPolarHBondContact CG2-OD1 3.19Å | |||
| 1707 | Q | 21.4 | Very low | 22.6 | Very low | 185 Ų | 185 | 137 Ų | 137 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | trans | 71.6 | 145.1 | 164 | -68.2 | 171.7 | -11.5 | 0 | 0 | 118.2 | ||||
| 1708 | S | 21.3 | Very low | 22.6 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 61% | 0.608 | 78% | 0.782 | S | S | * | * | cis | -173.2 | 138.3 | -31 | 43.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1709 | D | 21.5 | Very low | 22.7 | Very low | 158 Ų | 158 | 133.6 Ų | 133.6 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 46.4 | 82.2 | 142.7 | -49.9 | -24.4 | 0 | 0 | 0 | 120.7 | ||||
| 1710 | T | 25.2 | Very low | 22.9 | Very low | 150 Ų | 150 | 137.9 Ų | 137.9 | 92% | 0.92 | 78% | 0.779 | S | S | * | * | trans | -154.2 | 156.2 | 138.8 | 44.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1711 | G | 24 | Very low | 22.9 | Very low | 67 Ų | 67 | 138.5 Ų | 138.5 | 69% | 0.691 | 78% | 0.779 | S | S | * | * | cis | 157.8 | 139.7 | -3 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1712 | S | 21.9 | Very low | 23 | Very low | 120 Ų | 120 | 133.4 Ų | 133.4 | 84% | 0.839 | 77% | 0.767 | S | S | * | * | trans | 68.9 | 125.4 | -168.3 | -155.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 1713 | A | 24.4 | Very low | 23.2 | Very low | 80 Ų | 80 | 135.1 Ų | 135.1 | 66% | 0.661 | 78% | 0.775 | S | S | * | * | cis | 108 | 135.2 | 12.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 1714 | N | 24.5 | Very low | 23.5 | Very low | 148 Ų | 148 | 127.7 Ų | 127.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | trans | 90.1 | 115.4 | 158.8 | -61.2 | -4.1 | 0 | 0 | 0 | 121.3 | ||||
| 1715 | T | 25.5 | Very low | 23.5 | Very low | 111 Ų | 111 | 127.7 Ų | 127.7 | 68% | 0.681 | 77% | 0.771 | S | S | * | * | 69.5 | 95.2 | 129 | -50.3 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 1716 | E | 24.5 | Very low | 23.3 | Very low | 176 Ų | 176 | 126.9 Ų | 126.9 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | 83.3 | 125.8 | 74.4 | -75.9 | 179.7 | 154.9 | 0 | 0 | 115.8 | |||||
| 1717 | A | 25 | Very low | 23.3 | Very low | 89 Ų | 89 | 127.9 Ų | 127.9 | 74% | 0.736 | 77% | 0.766 | S | S | * | * | trans | 64.7 | 112.5 | 144.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1718 | S | 20.9 | Very low | 23.3 | Very low | 121 Ų | 121 | 124 Ų | 124 | 85% | 0.846 | 76% | 0.755 | S | S | * | * | trans | 85.5 | 151.4 | 136.5 | -56.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1719 | S | 20.4 | Very low | 23.5 | Very low | 92 Ų | 92 | 125.8 Ų | 125.8 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | 78.9 | 127.4 | -175.6 | -149.4 | 0 | 0 | 0 | 0 | 114.8 | F1721 | S1719-F1721 VanDerWaalsContact C-N 3.29Å; S1719-F1721 PolarHBondContact O-N 3.22Å; S1719-F1721 WeakPolarHBondContact OG-CE2 3.25Å | ||
| 1720 | E | 24 | Very low | 23.6 | Very low | 197 Ų | 197 | 125.7 Ų | 125.7 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | trans | -89.8 | 50.8 | -153.6 | -59 | 169.6 | 134.8 | 0 | 0 | 112.6 | A1722 | E1720-A1722 PolarHBondContact O-N 3Š| ||
| 1721 | F | 18.8 | Very low | 23.4 | Very low | 190 Ų | 190 | 122.7 Ų | 122.7 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | -75 | 95.7 | -157 | -101.8 | -101.4 | 0 | 0 | 0 | 116.3 | S1719 | S1719-F1721 VanDerWaalsContact C-N 3.29Å; S1719-F1721 PolarHBondContact O-N 3.22Å; S1719-F1721 WeakPolarHBondContact OG-CE2 3.25Å | ||
| 1722 | A | 22.3 | Very low | 23.2 | Very low | 70 Ų | 70 | 127.7 Ų | 127.7 | 58% | 0.579 | 76% | 0.757 | S | S | * | * | trans | -43.7 | 142.9 | 164.8 | 0 | 0 | 0 | 0 | 0 | 117.3 | E1720 | E1720-A1722 PolarHBondContact O-N 3Š| ||
| 1723 | L | 26.3 | Very low | 23.3 | Very low | 164 Ų | 164 | 129.5 Ų | 129.5 | 86% | 0.859 | 76% | 0.757 | S | S | * | * | trans | 66.2 | -176.7 | 141.9 | -64.4 | 170.4 | 0 | 0 | 0 | 116.9 | ||||
| 1724 | P | 31.5 | Very low | 23.1 | Very low | 101 Ų | 101 | 130.6 Ų | 130.6 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | -127.6 | 162.1 | -57.9 | 34.9 | -23.1 | 0 | 0 | 0 | 112.8 | |||||
| 1725 | C | 21.3 | Very low | 22.9 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 88% | 0.878 | 76% | 0.763 | S | S | * | * | trans | -159.5 | 150.7 | 158.5 | -101.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1726 | V | 21.9 | Very low | 22.7 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 59% | 0.594 | 76% | 0.764 | S | S | * | * | cis | -169.6 | 131.7 | -47.2 | 124.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1727 | N | 23.4 | Very low | 22.7 | Very low | 151 Ų | 151 | 124.4 Ų | 124.4 | 81% | 0.807 | 76% | 0.764 | S | S | * | * | trans | 172.8 | 88.8 | 136 | -91.7 | -34.2 | 0 | 0 | 0 | 108.2 | ||||
| 1728 | T | 21.1 | Very low | 22.5 | Very low | 104 Ų | 104 | 127.3 Ų | 127.3 | 64% | 0.638 | 77% | 0.767 | S | S | * | * | 73 | 101.6 | 68.6 | -57 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 1729 | T | 24.5 | Very low | 22.7 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 77% | 0.767 | 77% | 0.771 | S | S | * | * | -169.4 | 159.7 | 127.7 | 13.6 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 1730 | N | 24.6 | Very low | 22.7 | Very low | 155 Ų | 155 | 128.1 Ų | 128.1 | 83% | 0.829 | 78% | 0.779 | S | S | * | * | trans | 60.3 | 91.2 | 160.8 | -58.6 | -6.2 | 0 | 0 | 0 | 118.6 | ||||
| 1731 | A | 20.7 | Very low | 22.7 | Very low | 87 Ų | 87 | 128 Ų | 128 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | trans | -84.6 | -170.6 | 151.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1732 | Q | 20.8 | Very low | 22.8 | Very low | 172 Ų | 172 | 124 Ų | 124 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 68.3 | 102.1 | 173.2 | -100.8 | 77.2 | -17.8 | 0 | 0 | 117.5 | ||||
| 1733 | L | 22.4 | Very low | 22.9 | Very low | 159 Ų | 159 | 127 Ų | 127 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | 169.1 | 100.4 | 119 | -85.2 | 168.4 | 0 | 0 | 0 | 106.4 | |||||
| 1734 | S | 20 | Very low | 22.7 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | 84.2 | 135.5 | 69.2 | 73.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1735 | G | 21.3 | Very low | 22.3 | Very low | 84 Ų | 84 | 132 Ų | 132 | 87% | 0.866 | 78% | 0.783 | S | S | * | * | trans | 100.7 | 117.3 | 165.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1736 | G | 20.8 | Very low | 22.8 | Very low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | -113.8 | 172.1 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1737 | N | 24.6 | Very low | 23 | Very low | 153 Ų | 153 | 134.4 Ų | 134.4 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -151.1 | 111.9 | 150.6 | -83.7 | -40.6 | 0 | 0 | 0 | 104.1 | ||||
| 1738 | D | 21.4 | Very low | 23.1 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | 61.1 | 97.9 | 76.4 | -76.7 | -14.6 | 0 | 0 | 0 | 114 | |||||
| 1739 | S | 24 | Very low | 23.4 | Very low | 131 Ų | 131 | 130 Ų | 130 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | -171.5 | 101.3 | 129.8 | -81.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 1740 | A | 21.6 | Very low | 23.8 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -90.1 | 146.7 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1741 | K | 23.4 | Very low | 24.6 | Very low | 193 Ų | 193 | 128 Ų | 128 | 84% | 0.839 | 77% | 0.773 | S | S | * | * | trans | -161.8 | 103.3 | 158.2 | -106.2 | 160.7 | -174.9 | -178.7 | 0 | 109.6 | ||||
| 1742 | T | 21.4 | Very low | 26.2 | Very low | 107 Ų | 107 | 129.2 Ų | 129.2 | 66% | 0.656 | 76% | 0.764 | S | S | * | * | 33.4 | 133.5 | 108.4 | 77.8 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1743 | D | 23.8 | Very low | 28.8 | Very low | 132 Ų | 132 | 123.6 Ų | 123.6 | 71% | 0.706 | 74% | 0.741 | S | S | * | * | cis | -161.1 | 145.6 | 44.3 | -78.8 | -73.5 | 0 | 0 | 0 | 113.6 | ||||
| 1744 | E | 22.4 | Very low | 31.6 | Very low | 189 Ų | 189 | 118.2 Ų | 118.2 | 88% | 0.883 | 71% | 0.71 | S | S | * | * | trans | 45.5 | 155.8 | 142.7 | -55.1 | -164.2 | 147.7 | 0 | 0 | 126 | ||||
| 1745 | E | 24.1 | Very low | 34.5 | Very low | 182 Ų | 182 | 116.7 Ų | 116.7 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | trans | -69.4 | -178.5 | -177 | -84.4 | -171.2 | -168.3 | 0 | 0 | 116.5 | ||||
| 1746 | P | 30.9 | Very low | 37.6 | Very low | 114 Ų | 114 | 112.8 Ų | 112.8 | 74% | 0.74 | 65% | 0.652 | S | S | * | * | cis | -125.4 | 156.6 | -3.1 | 18.6 | 4.7 | 0 | 0 | 0 | 115 | ||||
| 1747 | N | 25.3 | Very low | 40.2 | Very low | 164 Ų | 164 | 113.2 Ų | 113.2 | 88% | 0.877 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 133.1 | 169.9 | -162.6 | 14.8 | 0 | 0 | 0 | 111.3 | ||
| 1748 | G | 25.6 | Very low | 42.2 | Very low | 53 Ų | 53 | 108.3 Ų | 108.3 | 55% | 0.546 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -75 | 134.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | V1750 | G1748-V1750 PolarHBondContact O-N 3Š|
| 1749 | S | 28.1 | Very low | 45 | Very low | 111 Ų | 111 | 105.4 Ų | 105.4 | 78% | 0.776 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -63 | 124.7 | 170.7 | 179.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1750 | V | 33.5 | Very low | 47.5 | Very low | 127 Ų | 127 | 100.2 Ų | 100.2 | 77% | 0.77 | 57% | 0.565 | S | S | * | * | trans | -96.9 | 114.7 | 175.8 | 179.8 | 0 | 0 | 0 | 0 | 109.2 | G1748 Q1752 | G1748-V1750 PolarHBondContact O-N 3Å; V1750-Q1752 PolarHBondContact O-N 2.96Å | ||
| 1751 | D | 40.4 | Very low | 50.1 | Low | 111 Ų | 111 | 102.1 Ų | 102.1 | 59% | 0.594 | 56% | 0.558 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 127.4 | -175.7 | -63.6 | -64.5 | 0 | 0 | 0 | 112.6 | E1781 | D1751-E1781 HydrophobicContact CB-CG 4.46Š|
| 1752 | Q | 54.5 | Low | 52.2 | Low | 112 Ų | 112 | 94.6 Ų | 94.6 | 52% | 0.523 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -88.2 | 123.3 | -179.4 | -68.5 | -170 | 2.9 | 0 | 0 | 112.2 | V1750 Y1754 | V1750-Q1752 PolarHBondContact O-N 2.96Å; Q1752-Y1754 HydrophobicContact CB-CD2 4.48Å; Q1752-Y1754 HydrophobicContact CB-CE2 3.84Å; Q1752-Y1754 PolarHBondContact OE1-OH 3.49Å |
| 1753 | V | 75.7 | Confident | 53.8 | Low | 54 Ų | 54 | 92.4 Ų | 92.4 | 33% | 0.327 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 135.7 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 111.2 | R1779 I1798 A1817 | V1753-R1779 HydrophobicContact CG1-CB 4.37Å; V1753-I1798 HydrophobicContact CG1-CD1 3.8Å; V1753-I1798 HydrophobicContact CG2-CD1 3.93Å; V1753-A1817 WeakPolarHBondContact O-CB 3.45Å; V1753-A1817 PolarHBondContact O-N 2.84Å |
| 1754 | Y | 80.8 | Confident | 55.1 | Low | 45 Ų | 45 | 91.2 Ų | 91.2 | 18% | 0.176 | 52% | 0.517 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 158.5 | 177.7 | -74 | -115.5 | 0 | 0 | 0 | 109.7 | Q1752 V1780 L1782 L1814 R1815 S1816 | Q1752-Y1754 HydrophobicContact CB-CD2 4.48Å; Q1752-Y1754 HydrophobicContact CB-CE2 3.84Å; Q1752-Y1754 PolarHBondContact OE1-OH 3.49Å; Y1754-V1780 PolarHBondContact N-O 2.79Å; Y1754-V1780 WeakPolarHBondContact O-CG2 3.25Å; Y1754-V1780 PolarHBondContact O-N 3.31Å; Y1754-L1782 HydrophobicContact CD1-CD1 4.34Å; Y1754-L1782 HydrophobicContact CD2-CB 3.92Å; Y1754-L1782 HydrophobicContact CD2-CD1 3.88Å; Y1754-L1782 HydrophobicContact CE1-CD1 3.99Å; Y1754-L1782 HydrophobicContact CE2-CB 4.07Å; Y1754-L1782 HydrophobicContact CE2-CD1 3.52Å; Y1754-L1782 HydrophobicContact CE2-CG 4.46Å; Y1754-L1782 HydrophobicContact CG-CD1 4.32Å; Y1754-L1814 HydrophobicContact CD1-CB 4.17Å; Y1754-R1815 CarbonylContact C-O 3.58Å; Y1754-R1815 VanDerWaalsContact CA-O 3.27Å; Y1754-R1815 WeakPolarHBondContact CA-O 3.17Å; Y1754-S1816 VanDerWaalsContact CD1-N 3.26Å |
| 1755 | I | 81.9 | Confident | 56.4 | Low | 71 Ų | 71 | 89.2 Ų | 89.2 | 36% | 0.364 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 137.7 | 175.7 | -57.3 | 177.4 | 0 | 0 | 0 | 109.5 | V1757 R1815 | I1755-V1757 PolarHBondContact O-N 3.03Å; I1755-R1815 PolarHBondContact N-O 3.08Å; I1755-R1815 PolarHBondContact O-N 3.33Å |
| 1756 | V | 85.2 | Confident | 57.5 | Low | 2 Ų | 2 | 81.4 Ų | 81.4 | 1% | 0.012 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 118.8 | 174.6 | 179.3 | 0 | 0 | 0 | 0 | 109.6 | S1758 V1774 R1775 G1777 E1778 V1780 K1813 L1814 | V1756-S1758 WeakPolarHBondContact CG1-O 3.29Å; V1756-V1774 HydrophobicContact CG1-CB 4.26Å; V1756-V1774 HydrophobicContact CG1-CG2 3.83Å; V1756-V1774 HydrophobicContact CG2-CB 4.06Å; V1756-V1774 HydrophobicContact CG2-CG2 3.99Å; V1756-R1775 WeakPolarHBondContact CB-O 3.33Å; V1756-R1775 VanDerWaalsContact CG1-O 3.32Å; V1756-R1775 WeakPolarHBondContact CG1-O 3.44Å; V1756-G1777 PolarHBondContact O-N 2.99Å; V1756-E1778 HydrophobicContact CG2-CB 4.43Å; V1756-E1778 PolarHBondContact N-O 3.09Å; V1756-V1780 HydrophobicContact CG2-CG1 4.11Å; V1756-V1780 HydrophobicContact CG2-CG2 3.92Å; V1756-K1813 CarbonylContact C-O 3.48Å; V1756-K1813 WeakPolarHBondContact CA-O 3.43Å; V1756-L1814 HydrophobicContact CG2-CD2 4.07Å |
| 1757 | V | 76.3 | Confident | 58.3 | Low | 78 Ų | 78 | 81.2 Ų | 81.2 | 47% | 0.473 | 48% | 0.476 | S | S | . | . | trans | -86.5 | -25.2 | -171.1 | -173.1 | 0 | 0 | 0 | 0 | 112.5 | I1755 K1813 R1815 | I1755-V1757 PolarHBondContact O-N 3.03Å; V1757-K1813 PolarHBondContact N-O 3.32Å; V1757-R1815 HydrophobicContact CG2-CB 3.7Å | ||
| 1758 | S | 66.3 | Low | 59.6 | Low | 50 Ų | 50 | 79.1 Ų | 79.1 | 35% | 0.35 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -156.8 | 154.7 | 173.3 | 54.7 | 0 | 0 | 0 | 0 | 110.5 | V1756 H1760 K1813 | V1756-S1758 WeakPolarHBondContact CG1-O 3.29Å; S1758-H1760 PolarHBondContact O-N 3.46Å; S1758-K1813 WeakPolarHBondContact O-CD 3.29Å; S1758-K1813 VanDerWaalsContact OG-CD 3.25Å; S1758-K1813 WeakPolarHBondContact OG-CD 3.35Å; S1758-K1813 PolarHBondContact OG-NZ 2.99Å |
| 1759 | D | 79.5 | Confident | 61.2 | Low | 88 Ų | 88 | 80.3 Ų | 80.3 | 47% | 0.471 | 46% | 0.462 | S | S | . | . | trans | -52 | 135.5 | -179.1 | -66.6 | 8.6 | 0 | 0 | 0 | 112.6 | V1774 R1775 A1776 K1813 | D1759-V1774 CarbonylContact C-O 3.54Å; D1759-V1774 WeakPolarHBondContact CA-O 3Å; D1759-R1775 WeakPolarHBondContact OD1-CA 3.49Å; D1759-A1776 PolarHBondContact OD1-N 3.41Å; D1759-K1813 PolarHBondContact O-NZ 2.81Å | ||
| 1760 | H | 76.4 | Confident | 62.9 | Low | 23 Ų | 23 | 77 Ų | 77 | 11% | 0.106 | 45% | 0.446 | C | S | . | . | B | Isolated β-bridge | trans | -114.3 | 124.6 | 168.8 | -170.6 | 56.8 | 0 | 0 | 0 | 109.6 | S1758 E1771 I1772 V1773 V1774 V1809 K1813 | S1758-H1760 PolarHBondContact O-N 3.46Å; H1760-E1771 IonicContact CD2-OE2 2.68Å; H1760-E1771 IonicContact CE1-OE2 2.94Å; H1760-E1771 PolarHBondContact CE1-OE2 2.97Å; H1760-E1771 IonicContact NE2-OE2 2.6Å; H1760-E1771 PolarHBondContact NE2-OE2 3.16Å; H1760-I1772 PolarHBondContact CD2-O 3.49Å; H1760-V1773 WeakPolarHBondContact O-CA 3.38Å; H1760-V1774 HydrophobicContact CB-CG2 3.8Å; H1760-V1774 PolarHBondContact N-O 2.99Å; H1760-V1774 PolarHBondContact O-N 3.38Å; H1760-V1809 HydrophobicContact CB-CG1 4.41Å; H1760-K1813 HydrophobicContact CB-CG 4.49Å |
| 1761 | M | 77.1 | Confident | 65 | Low | 139 Ų | 139 | 72.9 Ų | 72.9 | 69% | 0.685 | 42% | 0.418 | S | S | * | . | trans | -129.7 | 105 | 179.2 | -70.9 | -74.6 | -76.3 | 0 | 0 | 107.1 | V1773 | M1761-V1773 HydrophobicContact SD-CB 4.32Å; M1761-V1773 HydrophobicContact SD-CG1 3.54Å; M1761-V1773 VanDerWaalsContact SD-CG1 3.54Å; M1761-V1773 HydrophobicContact SD-CG2 3.83Å | ||
| 1762 | P | 66.6 | Low | 67 | Low | 34 Ų | 34 | 68.9 Ų | 68.9 | 22% | 0.221 | 40% | 0.396 | C | S | . | . | trans | -59.5 | 151.2 | 179.7 | -26.2 | 36.3 | 0 | 0 | 0 | 112.8 | E1771 | P1762-E1771 HydrophobicContact CB-CB 4.01Å; P1762-E1771 HydrophobicContact CG-CB 3.56Å | ||
| 1763 | S | 54.9 | Low | 68.3 | Low | 61 Ų | 61 | 67 Ų | 67 | 43% | 0.427 | 39% | 0.393 | S | S | . | . | trans | -74 | 150.3 | 173.1 | -173.4 | 0 | 0 | 0 | 0 | 109.9 | D1765 S1766 | S1763-D1765 PolarHBondContact O-N 3.33Å; S1763-D1765 VanDerWaalsContact O-N 3.12Å; S1763-S1766 PolarHBondContact N-OG 3.1Å; S1763-S1766 PolarHBondContact O-N 2.76Å; S1763-S1766 PolarHBondContact O-OG 3.27Å | ||
| 1764 | P | 50.9 | Low | 68.7 | Low | 107 Ų | 107 | 64.5 Ų | 64.5 | 70% | 0.695 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -51.7 | -34.5 | 171.6 | -27.7 | 36.1 | 0 | 0 | 0 | 113.2 | T1767 | P1764-T1767 PolarHBondContact O-OG1 3.09Å; P1764-T1767 VanDerWaalsContact O-OG1 3.07Å |
| 1765 | D | 49.4 | Very low | 68.4 | Low | 147 Ų | 147 | 70.4 Ų | 70.4 | 79% | 0.786 | 40% | 0.399 | S | S | * | . | G | 310 helix | trans | -78.4 | -12.9 | 179.3 | -58.9 | -38.7 | 0 | 0 | 0 | 114.1 | S1763 | S1763-D1765 PolarHBondContact O-N 3.33Å; S1763-D1765 VanDerWaalsContact O-N 3.12Å |
| 1766 | S | 48.2 | Very low | 68.2 | Low | 19 Ų | 19 | 69.7 Ų | 69.7 | 13% | 0.133 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -98.6 | 3.8 | 177.8 | 71 | 0 | 0 | 0 | 0 | 114.2 | S1763 T1768 N1769 | S1763-S1766 PolarHBondContact N-OG 3.1Å; S1763-S1766 PolarHBondContact O-N 2.76Å; S1763-S1766 PolarHBondContact O-OG 3.27Å; S1766-T1768 PolarHBondContact O-N 3.49Å; S1766-N1769 PolarHBondContact O-N 3Å |
| 1767 | T | 46.7 | Very low | 67.7 | Low | 110 Ų | 110 | 72.2 Ų | 72.2 | 68% | 0.675 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -62.1 | -16.2 | 177 | 56.8 | 0 | 0 | 0 | 0 | 114 | P1764 N1769 | P1764-T1767 PolarHBondContact O-OG1 3.09Å; P1764-T1767 VanDerWaalsContact O-OG1 3.07Å; T1767-N1769 VanDerWaalsContact C-N 3.3Å |
| 1768 | T | 52.7 | Low | 68 | Low | 120 Ų | 120 | 70.4 Ų | 70.4 | 74% | 0.736 | 42% | 0.417 | S | S | * | . | G | 310 helix | trans | -70.5 | -20.1 | 172.8 | 45 | 0 | 0 | 0 | 0 | 114 | S1766 | S1766-T1768 PolarHBondContact O-N 3.49Š|
| 1769 | N | 59.4 | Low | 68.7 | Low | 77 Ų | 77 | 75.8 Ų | 75.8 | 41% | 0.412 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | -96.9 | -0.7 | -174.1 | -69.1 | -15.9 | 0 | 0 | 0 | 114.5 | S1766 T1767 Y1808 | S1766-N1769 PolarHBondContact O-N 3Å; T1767-N1769 VanDerWaalsContact C-N 3.3Å; N1769-Y1808 VanDerWaalsContact O-CD2 3.27Å; N1769-Y1808 WeakPolarHBondContact O-CD2 3.37Å |
| 1770 | G | 64.6 | Low | 68.9 | Low | 41 Ų | 41 | 71.6 Ų | 71.6 | 42% | 0.423 | 41% | 0.407 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 28.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1808 | G1770-Y1808 PolarHBondContact O-N 3.2Š|
| 1771 | E | 78.7 | Confident | 69 | Low | 41 Ų | 41 | 71.8 Ų | 71.8 | 19% | 0.192 | 41% | 0.408 | C | S | . | . | B | Isolated β-bridge | trans | -69.3 | 150.1 | 170.5 | -64 | 177.2 | -146.8 | 0 | 0 | 112 | H1760 P1762 L1792 Y1808 | H1760-E1771 IonicContact CD2-OE2 2.68Å; H1760-E1771 IonicContact CE1-OE2 2.94Å; H1760-E1771 PolarHBondContact CE1-OE2 2.97Å; H1760-E1771 IonicContact NE2-OE2 2.6Å; H1760-E1771 PolarHBondContact NE2-OE2 3.16Å; P1762-E1771 HydrophobicContact CB-CB 4.01Å; P1762-E1771 HydrophobicContact CG-CB 3.56Å; E1771-L1792 HydrophobicContact CG-CD2 4.22Å; E1771-Y1808 CarbonylContact C-O 3.48Å; E1771-Y1808 VanDerWaalsContact CA-O 3.23Å; E1771-Y1808 WeakPolarHBondContact CA-O 3.49Å |
| 1772 | I | 82.4 | Confident | 69 | Low | 27 Ų | 27 | 67.8 Ų | 67.8 | 14% | 0.138 | 39% | 0.389 | C | S | . | . | trans | -111.9 | 152.3 | 175.4 | 52.8 | 167.1 | 0 | 0 | 0 | 113 | H1760 V1774 V1795 V1797 K1806 Y1808 V1809 | H1760-I1772 PolarHBondContact CD2-O 3.49Å; I1772-V1774 HydrophobicContact CD1-CG1 3.68Å; I1772-V1774 HydrophobicContact CG1-CG1 4.1Å; I1772-V1795 HydrophobicContact CD1-CG2 4.25Å; I1772-V1797 HydrophobicContact CD1-CG2 3.95Å; I1772-K1806 WeakPolarHBondContact CG2-O 3.42Å; I1772-Y1808 PolarHBondContact N-O 3.27Å; I1772-V1809 HydrophobicContact CD1-CG2 4.04Å; I1772-V1809 HydrophobicContact CG1-CG2 3.59Å | ||
| 1773 | V | 80.5 | Confident | 69.2 | Low | 74 Ų | 74 | 68.4 Ų | 68.4 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | trans | -72.9 | 125.6 | 163.3 | 174 | 0 | 0 | 0 | 0 | 109.1 | H1760 M1761 | H1760-V1773 WeakPolarHBondContact O-CA 3.38Å; M1761-V1773 HydrophobicContact SD-CB 4.32Å; M1761-V1773 HydrophobicContact SD-CG1 3.54Å; M1761-V1773 VanDerWaalsContact SD-CG1 3.54Å; M1761-V1773 HydrophobicContact SD-CG2 3.83Å | ||
| 1774 | V | 83.8 | Confident | 69.4 | Low | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 40% | 0.403 | C | S | . | . | B | Isolated β-bridge | trans | -136.3 | 152.3 | 169.4 | -71.6 | 0 | 0 | 0 | 0 | 110.9 | V1756 D1759 H1760 I1772 E1778 V1797 V1809 | V1756-V1774 HydrophobicContact CG1-CB 4.26Å; V1756-V1774 HydrophobicContact CG1-CG2 3.83Å; V1756-V1774 HydrophobicContact CG2-CB 4.06Å; V1756-V1774 HydrophobicContact CG2-CG2 3.99Å; D1759-V1774 CarbonylContact C-O 3.54Å; D1759-V1774 WeakPolarHBondContact CA-O 3Å; H1760-V1774 HydrophobicContact CB-CG2 3.8Å; H1760-V1774 PolarHBondContact N-O 2.99Å; H1760-V1774 PolarHBondContact O-N 3.38Å; I1772-V1774 HydrophobicContact CD1-CG1 3.68Å; I1772-V1774 HydrophobicContact CG1-CG1 4.1Å; V1774-E1778 WeakPolarHBondContact CA-OE2 3.38Å; V1774-E1778 WeakPolarHBondContact CB-OE2 3.38Å; V1774-V1797 HydrophobicContact CG1-CG2 3.84Å; V1774-V1809 HydrophobicContact CG1-CG2 4.13Å; V1774-V1809 HydrophobicContact CG2-CB 4.48Å; V1774-V1809 HydrophobicContact CG2-CG1 3.89Å; V1774-V1809 HydrophobicContact CG2-CG2 3.67Å |
| 1775 | R | 75.5 | Confident | 69.6 | Low | 169 Ų | 169 | 70.2 Ų | 70.2 | 64% | 0.638 | 40% | 0.398 | S | S | * | . | trans | -110.3 | 152.9 | -179.5 | -71.9 | 179.7 | 175.5 | 161 | 0.1 | 112.5 | V1756 D1759 G1777 E1778 | V1756-R1775 WeakPolarHBondContact CB-O 3.33Å; V1756-R1775 VanDerWaalsContact CG1-O 3.32Å; V1756-R1775 WeakPolarHBondContact CG1-O 3.44Å; D1759-R1775 WeakPolarHBondContact OD1-CA 3.49Å; R1775-G1777 PolarHBondContact O-N 3.26Å; R1775-E1778 HydrophobicContact CB-CG 4.36Å; R1775-E1778 PolarHBondContact N-OE2 2.62Å; R1775-E1778 WeakPolarHBondContact O-CB 3.32Å; R1775-E1778 PolarHBondContact O-N 2.77Å | ||
| 1776 | A | 78.2 | Confident | 69.3 | Low | 56 Ų | 56 | 64 Ų | 64 | 46% | 0.463 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 126.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | D1759 | D1759-A1776 PolarHBondContact OD1-N 3.41Š|
| 1777 | G | 73.7 | Confident | 69.5 | Low | 55 Ų | 55 | 72.9 Ų | 72.9 | 57% | 0.567 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.4 | -11.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | V1756 R1775 | V1756-G1777 PolarHBondContact O-N 2.99Å; R1775-G1777 PolarHBondContact O-N 3.26Å |
| 1778 | E | 82.8 | Confident | 69.8 | Low | 41 Ų | 41 | 72.3 Ų | 72.3 | 19% | 0.192 | 41% | 0.407 | C | S | . | . | trans | -62.5 | 139.4 | 169.7 | -76 | -178.3 | 142.7 | 0 | 0 | 110.1 | V1756 V1774 R1775 R1805 | V1756-E1778 HydrophobicContact CG2-CB 4.43Å; V1756-E1778 PolarHBondContact N-O 3.09Å; V1774-E1778 WeakPolarHBondContact CA-OE2 3.38Å; V1774-E1778 WeakPolarHBondContact CB-OE2 3.38Å; R1775-E1778 HydrophobicContact CB-CG 4.36Å; R1775-E1778 PolarHBondContact N-OE2 2.62Å; R1775-E1778 WeakPolarHBondContact O-CB 3.32Å; R1775-E1778 PolarHBondContact O-N 2.77Å; E1778-R1805 IonicContact OE1-CZ 3.95Å; E1778-R1805 IonicContact OE1-NH1 3.14Å; E1778-R1805 PolarHBondContact OE1-NH1 3.24Å | ||
| 1779 | R | 81.6 | Confident | 69.7 | Low | 162 Ų | 162 | 69.3 Ų | 69.3 | 61% | 0.611 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 138.7 | 176.1 | -67.1 | -177.5 | 178.8 | -173.5 | -0.7 | 109.7 | V1753 I1798 | V1753-R1779 HydrophobicContact CG1-CB 4.37Å; R1779-I1798 HydrophobicContact CB-CB 4.25Å; R1779-I1798 HydrophobicContact CB-CD1 4.34Å; R1779-I1798 PolarHBondContact O-N 3.1Å |
| 1780 | V | 83.7 | Confident | 69.5 | Low | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 132.9 | -176.7 | -79.2 | 0 | 0 | 0 | 0 | 111.9 | Y1754 V1756 V1795 R1796 V1797 L1814 | Y1754-V1780 PolarHBondContact N-O 2.79Å; Y1754-V1780 WeakPolarHBondContact O-CG2 3.25Å; Y1754-V1780 PolarHBondContact O-N 3.31Å; V1756-V1780 HydrophobicContact CG2-CG1 4.11Å; V1756-V1780 HydrophobicContact CG2-CG2 3.92Å; V1780-V1795 HydrophobicContact CB-CB 3.93Å; V1780-V1795 HydrophobicContact CB-CG1 4.02Å; V1780-V1795 HydrophobicContact CG1-CB 4.12Å; V1780-V1795 HydrophobicContact CG1-CG2 4.35Å; V1780-V1795 HydrophobicContact CG2-CG1 4.18Å; V1780-R1796 CarbonylContact C-O 3.55Å; V1780-R1796 VanDerWaalsContact CA-O 3.23Å; V1780-R1796 WeakPolarHBondContact CA-O 3.46Å; V1780-V1797 HydrophobicContact CG1-CG2 4.1Å; V1780-L1814 HydrophobicContact CG2-CD2 3.73Å |
| 1781 | E | 77.7 | Confident | 69.6 | Low | 28 Ų | 28 | 75.3 Ų | 75.3 | 13% | 0.131 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 130.6 | 171.9 | -174.7 | -159.6 | -96.6 | 0 | 0 | 108.6 | D1751 L1783 V1795 R1796 I1798 | D1751-E1781 HydrophobicContact CB-CG 4.46Å; E1781-L1783 WeakPolarHBondContact OE2-CD2 3.38Å; E1781-V1795 WeakPolarHBondContact O-CA 3.44Å; E1781-R1796 HydrophobicContact CB-CB 4.31Å; E1781-R1796 PolarHBondContact N-O 3.23Å; E1781-R1796 PolarHBondContact O-N 3.05Å; E1781-R1796 IonicContact OE1-CZ 3.56Å; E1781-R1796 IonicContact OE1-NH1 2.74Å; E1781-R1796 PolarHBondContact OE1-NH1 3.39Å; E1781-R1796 VanDerWaalsContact OE2-CD 3.29Å; E1781-R1796 WeakPolarHBondContact OE2-CD 3.31Å; E1781-R1796 IonicContact OE2-CZ 3.57Å; E1781-R1796 IonicContact OE2-NE 2.66Å; E1781-R1796 PolarHBondContact OE2-NE 3.2Å; E1781-R1796 IonicContact OE2-NH1 3.02Å; E1781-R1796 PolarHBondContact OE2-NH1 3.28Å; E1781-R1796 IonicContact OE2-NH2 2.75Å; E1781-R1796 PolarHBondContact OE2-NH2 3.39Å; E1781-R1796 VanDerWaalsContact OE2-NH2 3.1Å; E1781-I1798 HydrophobicContact CB-CD1 4.07Å; E1781-I1798 HydrophobicContact CB-CG1 4.17Å |
| 1782 | L | 77 | Confident | 69.5 | Low | 54 Ų | 54 | 74.4 Ų | 74.4 | 28% | 0.283 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 108.9 | -173.5 | -159.6 | 171.5 | 0 | 0 | 0 | 109.5 | Y1754 T1793 | Y1754-L1782 HydrophobicContact CD1-CD1 4.34Å; Y1754-L1782 HydrophobicContact CD2-CB 3.92Å; Y1754-L1782 HydrophobicContact CD2-CD1 3.88Å; Y1754-L1782 HydrophobicContact CE1-CD1 3.99Å; Y1754-L1782 HydrophobicContact CE2-CB 4.07Å; Y1754-L1782 HydrophobicContact CE2-CD1 3.52Å; Y1754-L1782 HydrophobicContact CE2-CG 4.46Å; Y1754-L1782 HydrophobicContact CG-CD1 4.32Å; L1782-T1793 HydrophobicContact CD1-CG2 3.83Å; L1782-T1793 HydrophobicContact CD2-CG2 3.55Å; L1782-T1793 HydrophobicContact CG-CG2 3.49Å; L1782-T1793 VanDerWaalsContact CG-CG2 3.49Å |
| 1783 | L | 71.4 | Confident | 69.1 | Low | 47 Ų | 47 | 73.7 Ų | 73.7 | 25% | 0.246 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | -57.5 | -169.6 | -70.3 | -179.7 | 0 | 0 | 0 | 113.4 | E1781 Y1794 R1796 K1806 | E1781-L1783 WeakPolarHBondContact OE2-CD2 3.38Å; L1783-Y1794 HydrophobicContact CB-CD1 3.98Å; L1783-Y1794 HydrophobicContact CD1-CD1 3.8Å; L1783-Y1794 HydrophobicContact CD1-CE1 3.84Å; L1783-Y1794 HydrophobicContact CG-CD1 4.48Å; L1783-Y1794 PolarHBondContact N-O 3.1Å; L1783-R1796 HydrophobicContact CD1-CB 4Å; L1783-R1796 HydrophobicContact CD2-CB 4.45Å; L1783-R1796 VanDerWaalsContact CD2-NH2 3.35Å; L1783-R1796 HydrophobicContact CG-CB 4.15Å; L1783-K1806 HydrophobicContact CD1-CD 4.17Å |
| 1784 | H | 59.3 | Low | 69.3 | Low | 149 Ų | 149 | 73.8 Ų | 73.8 | 69% | 0.69 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -152 | 148.3 | -179.3 | -90.1 | 53.8 | 0 | 0 | 0 | 109.4 | Y1794 | H1784-Y1794 WeakPolarHBondContact O-CB 3.38Å; H1784-Y1794 PolarHBondContact O-N 3.48Å |
| 1785 | G | 53.9 | Low | 69.4 | Low | 57 Ų | 57 | 73.8 Ų | 73.8 | 59% | 0.588 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 137.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 1786 | A | 44.7 | Very low | 69.8 | Low | 16 Ų | 16 | 69.2 Ų | 69.2 | 13% | 0.132 | 38% | 0.383 | C | S | . | . | trans | -87.2 | 110 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | S1788 L1789 Y1808 | A1786-S1788 PolarHBondContact O-N 3.42Å; A1786-L1789 HydrophobicContact CB-CB 4.2Å; A1786-L1789 PolarHBondContact O-N 3.49Å; A1786-Y1808 HydrophobicContact CB-CE1 3.67Å | ||
| 1787 | E | 51.6 | Low | 70 | Confident | 207 Ų | 207 | 66.9 Ų | 66.9 | 97% | 0.967 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -17.9 | 177.6 | -59.9 | -175 | 143.5 | 0 | 0 | 113.6 | ||
| 1788 | S | 52.3 | Low | 69.8 | Low | 98 Ų | 98 | 67.6 Ų | 67.6 | 69% | 0.685 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -10.5 | 177.2 | 56.9 | 0 | 0 | 0 | 0 | 115.5 | A1786 | A1786-S1788 PolarHBondContact O-N 3.42Š|
| 1789 | L | 51.7 | Low | 68.9 | Low | 56 Ų | 56 | 69.3 Ų | 69.3 | 29% | 0.293 | 36% | 0.364 | S | S | . | . | trans | -140 | 78.9 | -172.4 | -71.3 | 172.6 | 0 | 0 | 0 | 111.6 | A1786 N1791 L1792 | A1786-L1789 HydrophobicContact CB-CB 4.2Å; A1786-L1789 PolarHBondContact O-N 3.49Å; L1789-N1791 PolarHBondContact O-N 2.77Å; L1789-L1792 HydrophobicContact CB-CB 4.25Å; L1789-L1792 HydrophobicContact CB-CD1 4.44Å; L1789-L1792 HydrophobicContact CD1-CD1 4.06Å; L1789-L1792 PolarHBondContact O-N 3.11Å | ||
| 1790 | P | 55 | Low | 67.9 | Low | 116 Ų | 116 | 71 Ų | 71 | 75% | 0.753 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -6.9 | -165.7 | 25.6 | -36.1 | 0 | 0 | 0 | 116.4 | ||
| 1791 | N | 67.2 | Low | 66.3 | Low | 128 Ų | 128 | 80.4 Ų | 80.4 | 68% | 0.684 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.6 | -0.4 | 179.1 | -65.5 | -26.5 | 0 | 0 | 0 | 113.5 | L1789 P1810 T1811 | L1789-N1791 PolarHBondContact O-N 2.77Å; N1791-P1810 CarbonylContact O-C 3.58Å; N1791-P1810 VanDerWaalsContact O-CA 3.28Å; N1791-P1810 WeakPolarHBondContact O-CA 3.39Å; N1791-T1811 PolarHBondContact O-N 3.04Å; N1791-T1811 PolarHBondContact O-OG1 2.94Å |
| 1792 | L | 75.8 | Confident | 64.8 | Low | 22 Ų | 22 | 80.9 Ų | 80.9 | 12% | 0.115 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 134.2 | -177.2 | -74.4 | 166.9 | 0 | 0 | 0 | 110.2 | E1771 L1789 Y1808 P1810 | E1771-L1792 HydrophobicContact CG-CD2 4.22Å; L1789-L1792 HydrophobicContact CB-CB 4.25Å; L1789-L1792 HydrophobicContact CB-CD1 4.44Å; L1789-L1792 HydrophobicContact CD1-CD1 4.06Å; L1789-L1792 PolarHBondContact O-N 3.11Å; L1792-Y1808 HydrophobicContact CB-CD1 4.07Å; L1792-Y1808 HydrophobicContact CB-CG 4.46Å; L1792-P1810 HydrophobicContact CD2-CB 4.4Å; L1792-P1810 HydrophobicContact CD2-CG 3.94Å |
| 1793 | T | 74.5 | Confident | 63.2 | Low | 12 Ų | 12 | 84 Ų | 84 | 7% | 0.074 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 134.8 | -177 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | L1782 V1795 Y1808 V1809 T1811 L1814 | L1782-T1793 HydrophobicContact CD1-CG2 3.83Å; L1782-T1793 HydrophobicContact CD2-CG2 3.55Å; L1782-T1793 HydrophobicContact CG-CG2 3.49Å; L1782-T1793 VanDerWaalsContact CG-CG2 3.49Å; T1793-V1795 HydrophobicContact CG2-CG1 4.47Å; T1793-Y1808 WeakPolarHBondContact O-CA 3.28Å; T1793-V1809 PolarHBondContact N-O 3.01Å; T1793-V1809 PolarHBondContact O-N 2.65Å; T1793-T1811 WeakPolarHBondContact OG1-CG2 3.48Å; T1793-T1811 PolarHBondContact OG1-OG1 3Å; T1793-L1814 HydrophobicContact CG2-CD1 4.16Å |
| 1794 | Y | 83.6 | Confident | 62.1 | Low | 76 Ų | 76 | 87.8 Ų | 87.8 | 30% | 0.298 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 117.7 | -179.1 | -159.2 | -108 | 0 | 0 | 0 | 110.2 | L1783 H1784 K1806 G1807 Y1808 | L1783-Y1794 HydrophobicContact CB-CD1 3.98Å; L1783-Y1794 HydrophobicContact CD1-CD1 3.8Å; L1783-Y1794 HydrophobicContact CD1-CE1 3.84Å; L1783-Y1794 HydrophobicContact CG-CD1 4.48Å; L1783-Y1794 PolarHBondContact N-O 3.1Å; H1784-Y1794 WeakPolarHBondContact O-CB 3.38Å; H1784-Y1794 PolarHBondContact O-N 3.48Å; Y1794-K1806 HydrophobicContact CE1-CB 4.38Å; Y1794-G1807 VanDerWaalsContact CE2-CA 3.44Å; Y1794-Y1808 AromaticContact CD2-CD1 3.88Å; Y1794-Y1808 HydrophobicContact CD2-CD1 3.88Å; Y1794-Y1808 AromaticContact CD2-CD2 3.8Å; Y1794-Y1808 HydrophobicContact CD2-CD2 3.8Å; Y1794-Y1808 AromaticContact CD2-CE1 3.67Å; Y1794-Y1808 HydrophobicContact CD2-CE1 3.67Å; Y1794-Y1808 AromaticContact CD2-CE2 3.6Å; Y1794-Y1808 HydrophobicContact CD2-CE2 3.6Å; Y1794-Y1808 AromaticContact CD2-CG 3.94Å; Y1794-Y1808 HydrophobicContact CD2-CG 3.94Å; Y1794-Y1808 AromaticContact CD2-CZ 3.52Å; Y1794-Y1808 HydrophobicContact CE2-CD2 4.2Å; Y1794-Y1808 AromaticContact CE2-CE2 3.97Å; Y1794-Y1808 HydrophobicContact CE2-CE2 3.97Å; Y1794-Y1808 HydrophobicContact CG-CD1 4.48Å; Y1794-Y1808 HydrophobicContact CG-CE1 4.13Å |
| 1795 | V | 86.7 | Confident | 62.7 | Low | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 150 | -172.7 | -80.5 | 0 | 0 | 0 | 0 | 112.4 | I1772 V1780 E1781 T1793 K1806 G1807 V1809 L1814 | I1772-V1795 HydrophobicContact CD1-CG2 4.25Å; V1780-V1795 HydrophobicContact CB-CB 3.93Å; V1780-V1795 HydrophobicContact CB-CG1 4.02Å; V1780-V1795 HydrophobicContact CG1-CB 4.12Å; V1780-V1795 HydrophobicContact CG1-CG2 4.35Å; V1780-V1795 HydrophobicContact CG2-CG1 4.18Å; E1781-V1795 WeakPolarHBondContact O-CA 3.44Å; T1793-V1795 HydrophobicContact CG2-CG1 4.47Å; V1795-K1806 VanDerWaalsContact O-CA 3.32Å; V1795-K1806 WeakPolarHBondContact O-CA 3.38Å; V1795-G1807 WeakPolarHBondContact CG2-O 3.29Å; V1795-G1807 PolarHBondContact N-O 3.33Å; V1795-G1807 PolarHBondContact O-N 3.18Å; V1795-V1809 HydrophobicContact CG2-CB 3.75Å; V1795-V1809 HydrophobicContact CG2-CG2 3.44Å; V1795-V1809 VanDerWaalsContact CG2-CG2 3.44Å; V1795-L1814 HydrophobicContact CG1-CD1 3.8Å |
| 1796 | R | 82.8 | Confident | 64 | Low | 74 Ų | 74 | 87.2 Ų | 87.2 | 28% | 0.279 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125 | 170.7 | 176.3 | -163.3 | -57.8 | 175.4 | 4.6 | 108.4 | V1780 E1781 L1783 L1804 K1806 | V1780-R1796 CarbonylContact C-O 3.55Å; V1780-R1796 VanDerWaalsContact CA-O 3.23Å; V1780-R1796 WeakPolarHBondContact CA-O 3.46Å; E1781-R1796 HydrophobicContact CB-CB 4.31Å; E1781-R1796 PolarHBondContact N-O 3.23Å; E1781-R1796 PolarHBondContact O-N 3.05Å; E1781-R1796 IonicContact OE1-CZ 3.56Å; E1781-R1796 IonicContact OE1-NH1 2.74Å; E1781-R1796 PolarHBondContact OE1-NH1 3.39Å; E1781-R1796 VanDerWaalsContact OE2-CD 3.29Å; E1781-R1796 WeakPolarHBondContact OE2-CD 3.31Å; E1781-R1796 IonicContact OE2-CZ 3.57Å; E1781-R1796 IonicContact OE2-NE 2.66Å; E1781-R1796 PolarHBondContact OE2-NE 3.2Å; E1781-R1796 IonicContact OE2-NH1 3.02Å; E1781-R1796 PolarHBondContact OE2-NH1 3.28Å; E1781-R1796 IonicContact OE2-NH2 2.75Å; E1781-R1796 PolarHBondContact OE2-NH2 3.39Å; E1781-R1796 VanDerWaalsContact OE2-NH2 3.1Å; L1783-R1796 HydrophobicContact CD1-CB 4Å; L1783-R1796 HydrophobicContact CD2-CB 4.45Å; L1783-R1796 VanDerWaalsContact CD2-NH2 3.35Å; L1783-R1796 HydrophobicContact CG-CB 4.15Å; R1796-L1804 HydrophobicContact CG-CD2 4.23Å; R1796-K1806 HydrophobicContact CB-CG 4.1Å; R1796-K1806 HydrophobicContact CG-CG 4.06Å |
| 1797 | V | 82.2 | Confident | 65.8 | Low | 6 Ų | 6 | 86.5 Ų | 86.5 | 4% | 0.036 | 45% | 0.445 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 131.7 | 173.6 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | I1772 V1774 V1780 D1799 R1805 | I1772-V1797 HydrophobicContact CD1-CG2 3.95Å; V1774-V1797 HydrophobicContact CG1-CG2 3.84Å; V1780-V1797 HydrophobicContact CG1-CG2 4.1Å; V1797-D1799 HydrophobicContact CG1-CB 4.47Å; V1797-R1805 HydrophobicContact CB-CB 4.28Å; V1797-R1805 HydrophobicContact CG2-CB 4.11Å; V1797-R1805 PolarHBondContact N-O 3.1Å |
| 1798 | I | 71.2 | Confident | 67.4 | Low | 71 Ų | 71 | 79.3 Ų | 79.3 | 36% | 0.364 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 107.4 | 177.1 | -50.3 | 173.4 | 0 | 0 | 0 | 107.6 | V1753 R1779 E1781 | V1753-I1798 HydrophobicContact CG1-CD1 3.8Å; V1753-I1798 HydrophobicContact CG2-CD1 3.93Å; R1779-I1798 HydrophobicContact CB-CB 4.25Å; R1779-I1798 HydrophobicContact CB-CD1 4.34Å; R1779-I1798 PolarHBondContact O-N 3.1Å; E1781-I1798 HydrophobicContact CB-CD1 4.07Å; E1781-I1798 HydrophobicContact CB-CG1 4.17Å |
| 1799 | D | 63.3 | Low | 68.7 | Low | 77 Ų | 77 | 74.6 Ų | 74.6 | 41% | 0.412 | 38% | 0.377 | S | S | . | . | trans | -146.1 | 119.4 | -175 | -168.5 | 0.3 | 0 | 0 | 0 | 107.3 | V1797 A1802 R1805 | V1797-D1799 HydrophobicContact CG1-CB 4.47Å; D1799-A1802 HydrophobicContact CB-CB 4.42Å; D1799-A1802 WeakPolarHBondContact OD2-CB 3.44Å; D1799-R1805 IonicContact OD2-NH2 3.55Å; D1799-R1805 PolarHBondContact OD2-NH2 2.84Å | ||
| 1800 | E | 60.6 | Low | 70.1 | Confident | 196 Ų | 196 | 73 Ų | 73 | 92% | 0.916 | 37% | 0.37 | S | S | * | . | S | Bend | trans | -81.1 | -17 | -165.1 | -66.4 | -167.3 | 159 | 0 | 0 | 114.1 | ||
| 1801 | E | 49.8 | Very low | 71 | Confident | 199 Ų | 199 | 70.5 Ų | 70.5 | 93% | 0.93 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -111.8 | 2.6 | -176.8 | -61.7 | -166.9 | 149.5 | 0 | 0 | 114.2 | ||
| 1802 | A | 45.5 | Very low | 71.5 | Confident | 37 Ų | 37 | 69.7 Ų | 69.7 | 31% | 0.306 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -128.1 | 149.3 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | D1799 L1804 | D1799-A1802 HydrophobicContact CB-CB 4.42Å; D1799-A1802 WeakPolarHBondContact OD2-CB 3.44Å; A1802-L1804 PolarHBondContact O-N 3.05Å |
| 1803 | P | 44.4 | Very low | 71.6 | Confident | 121 Ų | 121 | 71 Ų | 71 | 79% | 0.786 | 36% | 0.361 | S | S | * | . | trans | -65.5 | 132.5 | 177.8 | 25.6 | -33.4 | 0 | 0 | 0 | 112.7 | R1805 | P1803-R1805 PolarHBondContact O-N 3.25Š| ||
| 1804 | L | 47.8 | Very low | 71.6 | Confident | 125 Ų | 125 | 71.4 Ų | 71.4 | 65% | 0.654 | 36% | 0.363 | S | S | * | . | trans | -45.2 | 108.1 | -170.8 | -69.6 | 152.4 | 0 | 0 | 0 | 115.4 | R1796 A1802 | R1796-L1804 HydrophobicContact CG-CD2 4.23Å; A1802-L1804 PolarHBondContact O-N 3.05Å | ||
| 1805 | R | 72.7 | Confident | 71.3 | Confident | 102 Ų | 102 | 75.5 Ų | 75.5 | 39% | 0.385 | 38% | 0.378 | S | S | . | . | trans | -86.6 | 132 | 169.5 | -52.9 | -177.9 | -131.2 | 140.3 | 11.5 | 110.3 | E1778 V1797 D1799 P1803 | E1778-R1805 IonicContact OE1-CZ 3.95Å; E1778-R1805 IonicContact OE1-NH1 3.14Å; E1778-R1805 PolarHBondContact OE1-NH1 3.24Å; V1797-R1805 HydrophobicContact CB-CB 4.28Å; V1797-R1805 HydrophobicContact CG2-CB 4.11Å; V1797-R1805 PolarHBondContact N-O 3.1Å; D1799-R1805 IonicContact OD2-NH2 3.55Å; D1799-R1805 PolarHBondContact OD2-NH2 2.84Å; P1803-R1805 PolarHBondContact O-N 3.25Å | ||
| 1806 | K | 79.6 | Confident | 70.3 | Confident | 92 Ų | 92 | 77.3 Ų | 77.3 | 40% | 0.4 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.3 | 141.1 | 179.5 | -58.9 | 179.8 | -174.7 | 178.9 | 0 | 110.4 | I1772 L1783 Y1794 V1795 R1796 | I1772-K1806 WeakPolarHBondContact CG2-O 3.42Å; L1783-K1806 HydrophobicContact CD1-CD 4.17Å; Y1794-K1806 HydrophobicContact CE1-CB 4.38Å; V1795-K1806 VanDerWaalsContact O-CA 3.32Å; V1795-K1806 WeakPolarHBondContact O-CA 3.38Å; R1796-K1806 HydrophobicContact CB-CG 4.1Å; R1796-K1806 HydrophobicContact CG-CG 4.06Å |
| 1807 | G | 84.3 | Confident | 69 | Low | 1 Ų | 1 | 77 Ų | 77 | 1% | 0.01 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.3 | -172.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y1794 V1795 | Y1794-G1807 VanDerWaalsContact CE2-CA 3.44Å; V1795-G1807 WeakPolarHBondContact CG2-O 3.29Å; V1795-G1807 PolarHBondContact N-O 3.33Å; V1795-G1807 PolarHBondContact O-N 3.18Å |
| 1808 | Y | 84.6 | Confident | 66.9 | Low | 56 Ų | 56 | 80.8 Ų | 80.8 | 22% | 0.22 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 139.3 | -178.9 | -69.1 | -75.5 | 0 | 0 | 0 | 113.3 | N1769 G1770 E1771 I1772 A1786 L1792 T1793 Y1794 | N1769-Y1808 VanDerWaalsContact O-CD2 3.27Å; N1769-Y1808 WeakPolarHBondContact O-CD2 3.37Å; G1770-Y1808 PolarHBondContact O-N 3.2Å; E1771-Y1808 CarbonylContact C-O 3.48Å; E1771-Y1808 VanDerWaalsContact CA-O 3.23Å; E1771-Y1808 WeakPolarHBondContact CA-O 3.49Å; I1772-Y1808 PolarHBondContact N-O 3.27Å; A1786-Y1808 HydrophobicContact CB-CE1 3.67Å; L1792-Y1808 HydrophobicContact CB-CD1 4.07Å; L1792-Y1808 HydrophobicContact CB-CG 4.46Å; T1793-Y1808 WeakPolarHBondContact O-CA 3.28Å; Y1794-Y1808 AromaticContact CD2-CD1 3.88Å; Y1794-Y1808 HydrophobicContact CD2-CD1 3.88Å; Y1794-Y1808 AromaticContact CD2-CD2 3.8Å; Y1794-Y1808 HydrophobicContact CD2-CD2 3.8Å; Y1794-Y1808 AromaticContact CD2-CE1 3.67Å; Y1794-Y1808 HydrophobicContact CD2-CE1 3.67Å; Y1794-Y1808 AromaticContact CD2-CE2 3.6Å; Y1794-Y1808 HydrophobicContact CD2-CE2 3.6Å; Y1794-Y1808 AromaticContact CD2-CG 3.94Å; Y1794-Y1808 HydrophobicContact CD2-CG 3.94Å; Y1794-Y1808 AromaticContact CD2-CZ 3.52Å; Y1794-Y1808 HydrophobicContact CE2-CD2 4.2Å; Y1794-Y1808 AromaticContact CE2-CE2 3.97Å; Y1794-Y1808 HydrophobicContact CE2-CE2 3.97Å; Y1794-Y1808 HydrophobicContact CG-CD1 4.48Å; Y1794-Y1808 HydrophobicContact CG-CE1 4.13Å |
| 1809 | V | 80.3 | Confident | 65 | Low | 0 Ų | 0 | 84.1 Ų | 84.1 | 0% | 0 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.9 | 170.7 | 176.4 | 0 | 0 | 0 | 0 | 108.2 | H1760 I1772 V1774 T1793 V1795 T1811 K1813 L1814 | H1760-V1809 HydrophobicContact CB-CG1 4.41Å; I1772-V1809 HydrophobicContact CD1-CG2 4.04Å; I1772-V1809 HydrophobicContact CG1-CG2 3.59Å; V1774-V1809 HydrophobicContact CG1-CG2 4.13Å; V1774-V1809 HydrophobicContact CG2-CB 4.48Å; V1774-V1809 HydrophobicContact CG2-CG1 3.89Å; V1774-V1809 HydrophobicContact CG2-CG2 3.67Å; T1793-V1809 PolarHBondContact N-O 3.01Å; T1793-V1809 PolarHBondContact O-N 2.65Å; V1795-V1809 HydrophobicContact CG2-CB 3.75Å; V1795-V1809 HydrophobicContact CG2-CG2 3.44Å; V1795-V1809 VanDerWaalsContact CG2-CG2 3.44Å; V1809-T1811 PolarHBondContact O-N 2.8Å; V1809-K1813 HydrophobicContact CG1-CB 3.83Å; V1809-K1813 HydrophobicContact CG1-CG 4.41Å; V1809-L1814 HydrophobicContact CB-CD2 4.49Å; V1809-L1814 HydrophobicContact CG1-CD2 3.95Å; V1809-L1814 HydrophobicContact CG1-CG 4.25Å |
| 1810 | P | 80.8 | Confident | 63.1 | Low | 22 Ų | 22 | 86.1 Ų | 86.1 | 14% | 0.143 | 47% | 0.468 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.3 | 135 | 179.1 | -24.9 | 33.3 | 0 | 0 | 0 | 112.2 | N1791 L1792 S1812 K1813 | N1791-P1810 CarbonylContact O-C 3.58Å; N1791-P1810 VanDerWaalsContact O-CA 3.28Å; N1791-P1810 WeakPolarHBondContact O-CA 3.39Å; L1792-P1810 HydrophobicContact CD2-CB 4.4Å; L1792-P1810 HydrophobicContact CD2-CG 3.94Å; P1810-S1812 PolarHBondContact O-N 3.07Å; P1810-S1812 VanDerWaalsContact O-N 3.11Å; P1810-K1813 HydrophobicContact CB-CG 4.04Å; P1810-K1813 HydrophobicContact CG-CG 4.24Å; P1810-K1813 VanDerWaalsContact O-CB 3.26Å; P1810-K1813 WeakPolarHBondContact O-CB 3.43Å; P1810-K1813 PolarHBondContact O-N 3.42Å |
| 1811 | T | 74.1 | Confident | 61.2 | Low | 64 Ų | 64 | 85.6 Ų | 85.6 | 39% | 0.393 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -60.2 | -29.9 | -174.9 | -40.4 | 0 | 0 | 0 | 0 | 112.2 | N1791 T1793 V1809 K1813 L1814 | N1791-T1811 PolarHBondContact O-N 3.04Å; N1791-T1811 PolarHBondContact O-OG1 2.94Å; T1793-T1811 WeakPolarHBondContact OG1-CG2 3.48Å; T1793-T1811 PolarHBondContact OG1-OG1 3Å; V1809-T1811 PolarHBondContact O-N 2.8Å; T1811-K1813 PolarHBondContact O-N 2.78Å; T1811-L1814 PolarHBondContact O-N 2.8Å; T1811-L1814 VanDerWaalsContact O-N 3.1Å |
| 1812 | S | 76.1 | Confident | 59.9 | Low | 111 Ų | 111 | 82.3 Ų | 82.3 | 78% | 0.776 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -67.3 | -14 | 173.9 | 57.7 | 0 | 0 | 0 | 0 | 115 | P1810 | P1810-S1812 PolarHBondContact O-N 3.07Å; P1810-S1812 VanDerWaalsContact O-N 3.11Å |
| 1813 | K | 77.8 | Confident | 58.8 | Low | 48 Ų | 48 | 86.5 Ų | 86.5 | 21% | 0.209 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -87 | -8.8 | 172.5 | -63.6 | -73.6 | -171.3 | 164.5 | 0 | 112.6 | V1756 V1757 S1758 D1759 H1760 V1809 P1810 T1811 | V1756-K1813 CarbonylContact C-O 3.48Å; V1756-K1813 WeakPolarHBondContact CA-O 3.43Å; V1757-K1813 PolarHBondContact N-O 3.32Å; S1758-K1813 WeakPolarHBondContact O-CD 3.29Å; S1758-K1813 VanDerWaalsContact OG-CD 3.25Å; S1758-K1813 WeakPolarHBondContact OG-CD 3.35Å; S1758-K1813 PolarHBondContact OG-NZ 2.99Å; D1759-K1813 PolarHBondContact O-NZ 2.81Å; H1760-K1813 HydrophobicContact CB-CG 4.49Å; V1809-K1813 HydrophobicContact CG1-CB 3.83Å; V1809-K1813 HydrophobicContact CG1-CG 4.41Å; P1810-K1813 HydrophobicContact CB-CG 4.04Å; P1810-K1813 HydrophobicContact CG-CG 4.24Å; P1810-K1813 VanDerWaalsContact O-CB 3.26Å; P1810-K1813 WeakPolarHBondContact O-CB 3.43Å; P1810-K1813 PolarHBondContact O-N 3.42Å; T1811-K1813 PolarHBondContact O-N 2.78Å |
| 1814 | L | 75.8 | Confident | 57.7 | Low | 21 Ų | 21 | 90.2 Ų | 90.2 | 11% | 0.11 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 143.4 | -171.6 | -56.5 | 178.9 | 0 | 0 | 0 | 111 | Y1754 V1756 V1780 T1793 V1795 V1809 T1811 | Y1754-L1814 HydrophobicContact CD1-CB 4.17Å; V1756-L1814 HydrophobicContact CG2-CD2 4.07Å; V1780-L1814 HydrophobicContact CG2-CD2 3.73Å; T1793-L1814 HydrophobicContact CG2-CD1 4.16Å; V1795-L1814 HydrophobicContact CG1-CD1 3.8Å; V1809-L1814 HydrophobicContact CB-CD2 4.49Å; V1809-L1814 HydrophobicContact CG1-CD2 3.95Å; V1809-L1814 HydrophobicContact CG1-CG 4.25Å; T1811-L1814 PolarHBondContact O-N 2.8Å; T1811-L1814 VanDerWaalsContact O-N 3.1Å |
| 1815 | R | 76.5 | Confident | 56.5 | Low | 163 Ų | 163 | 86.8 Ų | 86.8 | 62% | 0.615 | 47% | 0.473 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 130.1 | 171.6 | -177.5 | -177.7 | -68.6 | -111.8 | 0.7 | 110.4 | Y1754 I1755 V1757 | Y1754-R1815 CarbonylContact C-O 3.58Å; Y1754-R1815 VanDerWaalsContact CA-O 3.27Å; Y1754-R1815 WeakPolarHBondContact CA-O 3.17Å; I1755-R1815 PolarHBondContact N-O 3.08Å; I1755-R1815 PolarHBondContact O-N 3.33Å; V1757-R1815 HydrophobicContact CG2-CB 3.7Å |
| 1816 | S | 65.4 | Low | 54.1 | Low | 37 Ų | 37 | 89 Ų | 89 | 26% | 0.259 | 49% | 0.492 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 137.3 | 172.4 | -178.5 | 0 | 0 | 0 | 0 | 110.1 | Y1754 S1818 | Y1754-S1816 VanDerWaalsContact CD1-N 3.26Å; S1816-S1818 VanDerWaalsContact C-N 3.32Å; S1816-S1818 PolarHBondContact O-N 2.83Å |
| 1817 | A | 55.3 | Low | 51.4 | Low | 67 Ų | 67 | 89.7 Ų | 89.7 | 55% | 0.554 | 50% | 0.504 | S | S | * | . | S | Bend | trans | -75 | -15.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | V1753 | V1753-A1817 WeakPolarHBondContact O-CB 3.45Å; V1753-A1817 PolarHBondContact O-N 2.84Å |
| 1818 | S | 39 | Very low | 48.6 | Very low | 86 Ų | 86 | 96.2 Ų | 96.2 | 60% | 0.601 | 54% | 0.539 | S | S | * | . | S | Bend | trans | -110.5 | -15.4 | -156.4 | -49.5 | 0 | 0 | 0 | 0 | 117.3 | S1816 | S1816-S1818 VanDerWaalsContact C-N 3.32Å; S1816-S1818 PolarHBondContact O-N 2.83Å |
| 1819 | N | 30.3 | Very low | 45.6 | Very low | 142 Ų | 142 | 99.5 Ų | 99.5 | 76% | 0.759 | 56% | 0.56 | S | S | * | * | trans | -114.5 | 101 | -171.1 | -80.5 | 0.4 | 0 | 0 | 0 | 113.6 | ||||
| 1820 | C | 24.3 | Very low | 42.9 | Very low | 119 Ų | 119 | 108 Ų | 108 | 80% | 0.804 | 59% | 0.594 | S | S | * | * | trans | -148.7 | 79.4 | 162.5 | -80.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1821 | F | 21.1 | Very low | 40.2 | Very low | 184 Ų | 184 | 113.3 Ų | 113.3 | 81% | 0.807 | 62% | 0.621 | S | S | * | * | trans | -133.4 | 129.7 | -175.8 | -109 | -84.1 | 0 | 0 | 0 | 112.3 | ||||
| 1822 | N | 21.7 | Very low | 37.8 | Very low | 131 Ų | 131 | 117.3 Ų | 117.3 | 70% | 0.701 | 64% | 0.64 | S | S | * | * | trans | 61.7 | 160 | 154.1 | -67.6 | 1.7 | 0 | 0 | 0 | 122.9 | ||||
| 1823 | T | 22.3 | Very low | 35.4 | Very low | 124 Ų | 124 | 117.4 Ų | 117.4 | 76% | 0.761 | 63% | 0.631 | S | S | * | * | trans | 92.5 | 132.9 | 156.4 | 75 | 0 | 0 | 0 | 0 | 119 | ||||
| 1824 | F | 21 | Very low | 32.9 | Very low | 200 Ų | 200 | 127.1 Ų | 127.1 | 88% | 0.877 | 67% | 0.667 | S | S | * | * | cis | -164.3 | 165.5 | -13.9 | -135.4 | -123.9 | 0 | 0 | 0 | 109.1 | ||||
| 1825 | G | 23 | Very low | 30.4 | Very low | 53 Ų | 53 | 134.1 Ų | 134.1 | 55% | 0.546 | 70% | 0.699 | S | S | . | * | trans | 103.3 | 109.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1826 | D | 23 | Very low | 27.8 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | 62.2 | 144.3 | 112 | -52.1 | -10.2 | 0 | 0 | 0 | 120.3 | |||||
| 1827 | T | 23.6 | Very low | 25.8 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 66% | 0.656 | 74% | 0.741 | S | S | * | * | cis | -157.9 | 164.9 | -0.1 | 5.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1828 | D | 23.6 | Very low | 24.4 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 32.2 | 146.8 | 146.2 | -38 | -30.9 | 0 | 0 | 0 | 120.6 | ||||
| 1829 | D | 23.2 | Very low | 23.6 | Very low | 124 Ų | 124 | 155.1 Ų | 155.1 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | cis | 177.7 | 175.8 | 41.1 | -150.5 | -17.7 | 0 | 0 | 0 | 112.2 | ||||
| 1830 | Y | 22.2 | Very low | 23.3 | Very low | 180 Ų | 180 | 157 Ų | 157 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | trans | 53.6 | 106.2 | 161.4 | -75.5 | -70.5 | 0 | 0 | 0 | 123.5 | ||||
| 1831 | N | 24.2 | Very low | 23.5 | Very low | 133 Ų | 133 | 158.2 Ų | 158.2 | 71% | 0.711 | 77% | 0.774 | S | S | * | * | 49.1 | 109.1 | 118.7 | -70.1 | 12.6 | 0 | 0 | 0 | 123.1 | |||||
| 1832 | D | 25.4 | Very low | 23.7 | Very low | 147 Ų | 147 | 157.6 Ų | 157.6 | 79% | 0.786 | 78% | 0.78 | S | S | * | * | 82.8 | 149 | 97.8 | -151.4 | 22.9 | 0 | 0 | 0 | 122.2 | |||||
| 1833 | D | 24.9 | Very low | 24 | Very low | 113 Ų | 113 | 160 Ų | 160 | 60% | 0.604 | 79% | 0.786 | S | S | * | * | trans | 50.7 | 102.8 | 161.7 | -141.5 | -3.5 | 0 | 0 | 0 | 121 | ||||
| 1834 | R | 25 | Very low | 24.1 | Very low | 252 Ų | 252 | 158.3 Ų | 158.3 | 95% | 0.951 | 79% | 0.785 | S | S | * | * | trans | -152.9 | 30 | 143.4 | -116.7 | 163.2 | -156.3 | -154.5 | 2.8 | 115.9 | R1836 | R1834-R1836 PolarHBondContact O-N 3.33Š| ||
| 1835 | E | 22.5 | Very low | 24.2 | Very low | 169 Ų | 169 | 157.1 Ų | 157.1 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | -88 | 92.7 | 166.1 | -81.5 | -142.9 | 143.2 | 0 | 0 | 111 | ||||
| 1836 | R | 23.1 | Very low | 24.3 | Very low | 237 Ų | 237 | 163 Ų | 163 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | trans | -173.4 | 72.7 | 154.7 | -104.7 | 157.3 | -154 | -147.3 | 10.3 | 113.7 | R1834 | R1834-R1836 PolarHBondContact O-N 3.33Š| ||
| 1837 | T | 24 | Very low | 24.4 | Very low | 141 Ų | 141 | 159.9 Ų | 159.9 | 87% | 0.865 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -164.3 | 151.9 | 147.3 | 2.5 | 0 | 0 | 0 | 0 | 110 | ||
| 1838 | L | 25.8 | Very low | 24.5 | Very low | 174 Ų | 174 | 158.8 Ų | 158.8 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | 76.3 | 46.8 | -179.6 | -55.7 | 168.3 | 0 | 0 | 0 | 117.4 | ||||
| 1839 | R | 21.9 | Very low | 24.7 | Very low | 241 Ų | 241 | 158.5 Ų | 158.5 | 91% | 0.909 | 77% | 0.773 | S | S | * | * | trans | -103.1 | 86.8 | 142 | -75.7 | -167.1 | -172.9 | 178.1 | 5.9 | 109.9 | ||||
| 1840 | Q | 24.2 | Very low | 24.7 | Very low | 182 Ų | 182 | 161.3 Ų | 161.3 | 85% | 0.85 | 78% | 0.784 | S | S | * | * | trans | -159.5 | 145.6 | 160.9 | -123.8 | 176.1 | 29.1 | 0 | 0 | 111.6 | ||||
| 1841 | I | 28.2 | Very low | 24.8 | Very low | 144 Ų | 144 | 162.8 Ų | 162.8 | 74% | 0.738 | 79% | 0.794 | S | S | * | * | trans | 77.4 | 68.7 | -178.3 | -45.1 | 168.9 | 0 | 0 | 0 | 113.7 | E1843 | I1841-E1843 HydrophobicContact CG2-CB 4.42Å; I1841-E1843 HydrophobicContact CG2-CG 4.38Å | ||
| 1842 | D | 25.9 | Very low | 24.6 | Very low | 172 Ų | 172 | 164.8 Ų | 164.8 | 92% | 0.92 | 79% | 0.791 | S | S | * | * | -75.1 | 111.1 | 129.4 | -73.8 | -62.3 | 0 | 0 | 0 | 107.7 | |||||
| 1843 | E | 26.3 | Very low | 24.6 | Very low | 181 Ų | 181 | 167.5 Ų | 167.5 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -117.2 | 139 | 150.1 | -81.9 | -163.3 | 146.2 | 0 | 0 | 107.8 | I1841 | I1841-E1843 HydrophobicContact CG2-CB 4.42Å; I1841-E1843 HydrophobicContact CG2-CG 4.38Å | ||
| 1844 | A | 24.6 | Very low | 24.7 | Very low | 89 Ų | 89 | 168.5 Ų | 168.5 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -83.9 | 156.4 | -157.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1845 | E | 23.4 | Very low | 24.6 | Very low | 174 Ų | 174 | 163.7 Ų | 163.7 | 81% | 0.813 | 80% | 0.799 | S | S | * | * | trans | 41.9 | 88.6 | 150.9 | -63 | -172.2 | 121.8 | 0 | 0 | 118.3 | ||||
| 1846 | E | 26.3 | Very low | 24.6 | Very low | 178 Ų | 178 | 165.9 Ų | 165.9 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | -103.3 | 103.7 | 128 | -125.5 | -64.5 | 172.2 | 0 | 0 | 107.9 | |||||
| 1847 | A | 25 | Very low | 24.6 | Very low | 81 Ų | 81 | 163.1 Ų | 163.1 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -115.4 | 101.8 | -174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1848 | D | 25 | Very low | 24.4 | Very low | 85 Ų | 85 | 167.2 Ų | 167.2 | 46% | 0.455 | 80% | 0.8 | S | S | . | * | trans | -149.1 | 152.5 | 164.7 | -170.5 | 17.4 | 0 | 0 | 0 | 112.5 | R1852 | D1848-R1852 IonicContact OD1-NE 3.39Å; D1848-R1852 IonicContact OD1-NH2 3.69Å; D1848-R1852 IonicContact OD2-CZ 3.91Å; D1848-R1852 IonicContact OD2-NE 2.94Å; D1848-R1852 IonicContact OD2-NH2 2.63Å; D1848-R1852 PolarHBondContact OD2-NH2 3.42Å | ||
| 1849 | K | 26.9 | Very low | 24.3 | Very low | 132 Ų | 132 | 166.3 Ų | 166.3 | 57% | 0.574 | 79% | 0.789 | S | S | * | * | trans | 78.4 | 72.3 | 164.4 | -44 | 169.6 | -162.2 | 60.5 | 0 | 118 | ||||
| 1850 | M | 24.5 | Very low | 24.3 | Very low | 183 Ų | 183 | 160.9 Ų | 160.9 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | S | Bend | -145.9 | 22.8 | 123.9 | -147.4 | 52.8 | -178.3 | 0 | 0 | 117.4 | |||
| 1851 | K | 22.8 | Very low | 24.3 | Very low | 210 Ų | 210 | 158.5 Ų | 158.5 | 91% | 0.913 | 78% | 0.78 | S | S | * | * | trans | -134.8 | 70.3 | 162.1 | -78.6 | -168.6 | 178.4 | 172.8 | 0 | 113.4 | ||||
| 1852 | R | 21.4 | Very low | 24.1 | Very low | 175 Ų | 175 | 157.2 Ų | 157.2 | 66% | 0.66 | 78% | 0.784 | S | S | * | * | trans | -100.7 | 92.7 | 165.7 | -74.4 | -173.4 | -178.4 | -170.4 | -0.2 | 111.5 | D1848 | D1848-R1852 IonicContact OD1-NE 3.39Å; D1848-R1852 IonicContact OD1-NH2 3.69Å; D1848-R1852 IonicContact OD2-CZ 3.91Å; D1848-R1852 IonicContact OD2-NE 2.94Å; D1848-R1852 IonicContact OD2-NH2 2.63Å; D1848-R1852 PolarHBondContact OD2-NH2 3.42Å | ||
| 1853 | K | 25.8 | Very low | 24.1 | Very low | 204 Ų | 204 | 153.2 Ų | 153.2 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -159.2 | 29.4 | 156.6 | -121 | 169.5 | -172.9 | 178.2 | 0 | 118.2 | ||||
| 1854 | T | 25.6 | Very low | 23.9 | Very low | 134 Ų | 134 | 156.4 Ų | 156.4 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | S | Bend | trans | -144.3 | 153.4 | 163.6 | -1.8 | 0 | 0 | 0 | 0 | 112.1 | K1856 | T1854-K1856 PolarHBondContact O-N 2.8Š|
| 1855 | L | 22.4 | Very low | 24 | Very low | 151 Ų | 151 | 160.7 Ų | 160.7 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | trans | 56.3 | 47.6 | 165.5 | -66.3 | 168.7 | 0 | 0 | 0 | 118.6 | K1857 | L1855-K1857 HydrophobicContact CD2-CB 4.44Å; L1855-K1857 PolarHBondContact O-N 2.98Å | ||
| 1856 | K | 22.9 | Very low | 24 | Very low | 216 Ų | 216 | 161.9 Ų | 161.9 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -68.6 | 71.9 | 137.6 | -94.9 | -165.6 | 172.9 | -172.1 | 0 | 109.5 | T1854 | T1854-K1856 PolarHBondContact O-N 2.8Š| ||
| 1857 | K | 23.6 | Very low | 23.8 | Very low | 178 Ų | 178 | 161.3 Ų | 161.3 | 77% | 0.774 | 78% | 0.783 | S | S | * | * | trans | -157.8 | 57.5 | 171.9 | -119.5 | -173.5 | -171.8 | -173.5 | 0 | 112.4 | L1855 | L1855-K1857 HydrophobicContact CD2-CB 4.44Å; L1855-K1857 PolarHBondContact O-N 2.98Å | ||
| 1858 | W | 19.5 | Very low | 23.6 | Very low | 227 Ų | 227 | 162.9 Ų | 162.9 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -158.4 | 147.7 | 145.4 | -102.7 | 19.9 | 0 | 0 | 0 | 108.1 | ||
| 1859 | F | 24.4 | Very low | 23.5 | Very low | 156 Ų | 156 | 170.1 Ų | 170.1 | 68% | 0.684 | 81% | 0.805 | S | S | * | * | trans | 51.6 | 55 | 176.1 | -48.9 | -56.4 | 0 | 0 | 0 | 118.7 | L1861 | F1859-L1861 PolarHBondContact O-N 3.38Å; F1859-L1861 VanDerWaalsContact O-N 3.16Å | ||
| 1860 | S | 22.2 | Very low | 23.2 | Very low | 127 Ų | 127 | 171.6 Ų | 171.6 | 89% | 0.888 | 81% | 0.814 | S | S | * | * | trans | -69.7 | 88.3 | 132.3 | 172.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1861 | L | 23.7 | Very low | 23 | Very low | 131 Ų | 131 | 171.3 Ų | 171.3 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | trans | -141.3 | 44.6 | 171.9 | -125.5 | 165.7 | 0 | 0 | 0 | 112.2 | F1859 S1863 | F1859-L1861 PolarHBondContact O-N 3.38Å; F1859-L1861 VanDerWaalsContact O-N 3.16Å; L1861-S1863 PolarHBondContact O-N 3.3Å | ||
| 1862 | S | 23.1 | Very low | 22.9 | Very low | 117 Ų | 117 | 171.9 Ų | 171.9 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -70.7 | 104.1 | 160 | -175.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1863 | S | 25.8 | Very low | 23 | Very low | 89 Ų | 89 | 172 Ų | 172 | 62% | 0.622 | 82% | 0.816 | S | S | * | * | trans | -148.2 | 96.1 | 170.7 | -80.6 | 0 | 0 | 0 | 0 | 109.8 | L1861 Q1865 | L1861-S1863 PolarHBondContact O-N 3.3Å; S1863-Q1865 VanDerWaalsContact C-N 3.27Å; S1863-Q1865 PolarHBondContact O-N 2.94Å | ||
| 1864 | R | 23.3 | Very low | 22.8 | Very low | 248 Ų | 248 | 167.1 Ų | 167.1 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | trans | -69.6 | 79.3 | 173 | -76.1 | -179.5 | 166 | -174 | -2.9 | 110.6 | K1866 | R1864-K1866 VanDerWaalsContact C-N 3.33Å; R1864-K1866 PolarHBondContact O-N 3.42Å | ||
| 1865 | Q | 25.7 | Very low | 22.7 | Very low | 178 Ų | 178 | 168.5 Ų | 168.5 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -78.1 | 85.2 | 164.2 | -74.6 | -169.4 | -14.4 | 0 | 0 | 110.3 | S1863 L1867 | S1863-Q1865 VanDerWaalsContact C-N 3.27Å; S1863-Q1865 PolarHBondContact O-N 2.94Å; Q1865-L1867 VanDerWaalsContact C-N 3.28Å; Q1865-L1867 PolarHBondContact O-N 3.17Å | ||
| 1866 | K | 23.6 | Very low | 22.6 | Very low | 200 Ų | 200 | 171.9 Ų | 171.9 | 87% | 0.87 | 81% | 0.812 | S | S | * | * | trans | -67.4 | 93.4 | 151.4 | -87.9 | -170.7 | 171.9 | -174.8 | 0 | 107 | R1864 V1868 | R1864-K1866 VanDerWaalsContact C-N 3.33Å; R1864-K1866 PolarHBondContact O-N 3.42Å; K1866-V1868 PolarHBondContact O-N 3.38Å | ||
| 1867 | L | 23.1 | Very low | 22.7 | Very low | 165 Ų | 165 | 166 Ų | 166 | 86% | 0.864 | 80% | 0.803 | S | S | * | * | trans | -64.4 | 129.8 | 170.5 | -173.4 | 61.2 | 0 | 0 | 0 | 108.9 | Q1865 R1869 | Q1865-L1867 VanDerWaalsContact C-N 3.28Å; Q1865-L1867 PolarHBondContact O-N 3.17Å; L1867-R1869 PolarHBondContact O-N 3.35Å | ||
| 1868 | V | 21.3 | Very low | 22.7 | Very low | 115 Ų | 115 | 163 Ų | 163 | 70% | 0.697 | 80% | 0.803 | S | S | * | * | trans | -67.3 | 123.3 | -174 | 175.3 | 0 | 0 | 0 | 0 | 109.8 | K1866 H1870 | K1866-V1868 PolarHBondContact O-N 3.38Å; V1868-H1870 PolarHBondContact O-N 2.96Å | ||
| 1869 | R | 21.2 | Very low | 22.8 | Very low | 236 Ų | 236 | 157.6 Ų | 157.6 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -75.9 | 103.1 | 167 | -168.2 | 174.7 | -165.8 | 141.8 | 3.5 | 107.8 | L1867 Q1871 | L1867-R1869 PolarHBondContact O-N 3.35Å; R1869-Q1871 PolarHBondContact O-N 2.82Å | ||
| 1870 | H | 21.8 | Very low | 22.7 | Very low | 164 Ų | 164 | 155.5 Ų | 155.5 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | -53.4 | 127 | 174.6 | -99.8 | -79.1 | 0 | 0 | 0 | 110.4 | V1868 | V1868-H1870 PolarHBondContact O-N 2.96Š| ||
| 1871 | Q | 19.9 | Very low | 22.6 | Very low | 176 Ų | 176 | 154.6 Ų | 154.6 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -70.3 | 133.3 | 159.2 | -67 | 168.6 | -76.2 | 0 | 0 | 107.6 | R1869 | R1869-Q1871 PolarHBondContact O-N 2.82Š| ||
| 1872 | Y | 21.5 | Very low | 22.6 | Very low | 222 Ų | 222 | 151.6 Ų | 151.6 | 87% | 0.871 | 81% | 0.805 | S | S | * | * | trans | -115.3 | 154.7 | 151.3 | -120 | -91.4 | 0 | 0 | 0 | 108.4 | ||||
| 1873 | H | 22.1 | Very low | 22.4 | Very low | 178 Ų | 178 | 151.9 Ų | 151.9 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -73.7 | 152.6 | -157 | -84.5 | -113.5 | 0 | 0 | 0 | 114.5 | ||||
| 1874 | S | 21.8 | Very low | 22.2 | Very low | 102 Ų | 102 | 151.8 Ų | 151.8 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -46.9 | 134.1 | 148.4 | 151.9 | 0 | 0 | 0 | 0 | 110 | ||||
| 1875 | D | 23.1 | Very low | 22.1 | Very low | 162 Ų | 162 | 150.5 Ų | 150.5 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -143.1 | 171 | 134.6 | -130.4 | -34.2 | 0 | 0 | 0 | 113.4 | ||||
| 1876 | R | 21.7 | Very low | 21.8 | Very low | 223 Ų | 223 | 148.8 Ų | 148.8 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -128.5 | 161.6 | -145.8 | 179.9 | -179.3 | 174.7 | -174.8 | -0.6 | 112.7 | ||||
| 1877 | A | 23.6 | Very low | 21.6 | Very low | 91 Ų | 91 | 143.8 Ų | 143.8 | 75% | 0.752 | 79% | 0.788 | S | S | * | * | trans | 80.8 | 157.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1878 | P | 24.4 | Very low | 21.5 | Very low | 117 Ų | 117 | 141 Ų | 141 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | trans | -132.1 | -154.9 | -157.5 | 43.1 | -23.9 | 0 | 0 | 0 | 113.4 | ||||
| 1879 | S | 20.8 | Very low | 21.4 | Very low | 112 Ų | 112 | 142 Ų | 142 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | 76.2 | 94.5 | 156.2 | 63.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 1880 | S | 22.1 | Very low | 21.4 | Very low | 112 Ų | 112 | 137.1 Ų | 137.1 | 78% | 0.783 | 79% | 0.786 | S | S | * | * | trans | -157.8 | 112.7 | 134 | 53.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1881 | A | 21.2 | Very low | 21.3 | Very low | 108 Ų | 108 | 134.7 Ų | 134.7 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | 68.4 | 101.6 | 59.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 1882 | G | 22.7 | Very low | 21.2 | Very low | 69 Ų | 69 | 135.5 Ų | 135.5 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | 155.1 | 88.1 | -170.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1883 | S | 19.6 | Very low | 21.1 | Very low | 123 Ų | 123 | 132.6 Ų | 132.6 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | 56.9 | 128.5 | 59.6 | -166.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 1884 | S | 21.5 | Very low | 21 | Very low | 86 Ų | 86 | 128 Ų | 128 | 60% | 0.601 | 79% | 0.789 | S | S | * | * | cis | -177.4 | 156.1 | -13.7 | -175.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1885 | R | 20.8 | Very low | 21 | Very low | 222 Ų | 222 | 128.4 Ų | 128.4 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | 69.2 | 160.8 | 152.9 | -86.5 | 169.5 | -178.9 | 162.5 | 1.3 | 120.7 | ||||
| 1886 | N | 20.3 | Very low | 20.9 | Very low | 141 Ų | 141 | 124.8 Ų | 124.8 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | 68.6 | 105.4 | 168.6 | -55.1 | -8 | 0 | 0 | 0 | 115.1 | ||||
| 1887 | S | 19.9 | Very low | 20.9 | Very low | 96 Ų | 96 | 122.5 Ų | 122.5 | 67% | 0.671 | 79% | 0.79 | S | S | * | * | cis | 74.9 | 118.7 | 28.4 | 94.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 1888 | S | 20.7 | Very low | 20.8 | Very low | 106 Ų | 106 | 127.2 Ų | 127.2 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | 60.7 | 132.7 | 164 | 68.4 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1889 | T | 19 | Very low | 20.8 | Very low | 137 Ų | 137 | 126 Ų | 126 | 84% | 0.84 | 80% | 0.796 | S | S | * | * | -159.8 | 165 | 56.1 | 27.2 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1890 | T | 21 | Very low | 20.8 | Very low | 133 Ų | 133 | 126 Ų | 126 | 82% | 0.816 | 80% | 0.796 | S | S | * | * | trans | -86.9 | 133.8 | 176.7 | 46.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1891 | S | 18.6 | Very low | 20.7 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | 179.9 | 150.4 | 160.9 | -85.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1892 | F | 18.1 | Very low | 20.7 | Very low | 193 Ų | 193 | 128.7 Ų | 128.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | cis | -155.6 | 167.7 | -17.9 | -147.7 | -99.9 | 0 | 0 | 0 | 107.9 | ||||
| 1893 | N | 20.1 | Very low | 20.6 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -71.4 | 146.9 | 174.5 | -74 | -16.9 | 0 | 0 | 0 | 112 | ||||
| 1894 | G | 20.9 | Very low | 20.6 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -153.3 | 118.1 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1895 | A | 20.8 | Very low | 20.6 | Very low | 109 Ų | 109 | 132.2 Ų | 132.2 | 90% | 0.901 | 80% | 0.802 | S | S | * | * | trans | -117.3 | 148.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1896 | A | 21.7 | Very low | 20.7 | Very low | 86 Ų | 86 | 126.3 Ų | 126.3 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -151.6 | 144.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1897 | E | 21.8 | Very low | 20.9 | Very low | 175 Ų | 175 | 129.4 Ų | 129.4 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 46.6 | 115.8 | 144.1 | -68.4 | 162.6 | -161 | 0 | 0 | 119.2 | ||||
| 1898 | E | 19.9 | Very low | 21.1 | Very low | 191 Ų | 191 | 130.9 Ų | 130.9 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | 88.2 | 97.5 | 62.1 | -79.2 | -163.5 | 179.7 | 0 | 0 | 115.2 | |||||
| 1899 | A | 24.8 | Very low | 21.1 | Very low | 90 Ų | 90 | 129.2 Ų | 129.2 | 74% | 0.744 | 82% | 0.815 | S | S | * | * | trans | -166.2 | 131.1 | 150.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 1900 | S | 21.3 | Very low | 21.4 | Very low | 112 Ų | 112 | 128.3 Ų | 128.3 | 78% | 0.783 | 81% | 0.814 | S | S | * | * | cis | 70 | 132.2 | 36.6 | 108 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1901 | V | 20.3 | Very low | 21.4 | Very low | 121 Ų | 121 | 129.5 Ų | 129.5 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | cis | -164.8 | 153.8 | -9.8 | 98.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1902 | I | 21.5 | Very low | 21.7 | Very low | 156 Ų | 156 | 128.5 Ų | 128.5 | 80% | 0.8 | 81% | 0.813 | S | S | * | * | trans | 46.3 | 121.6 | 159.7 | -61.9 | 165.1 | 0 | 0 | 0 | 120 | ||||
| 1903 | S | 20.2 | Very low | 22.4 | Very low | 113 Ų | 113 | 125.2 Ų | 125.2 | 79% | 0.79 | 81% | 0.811 | S | S | * | * | -170.4 | 138.5 | 117.3 | -168.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1904 | V | 20.2 | Very low | 22.6 | Very low | 143 Ų | 143 | 126.4 Ų | 126.4 | 87% | 0.867 | 82% | 0.817 | S | S | * | * | trans | -146.4 | 125 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1905 | A | 21.5 | Very low | 22.6 | Very low | 96 Ų | 96 | 129.3 Ų | 129.3 | 79% | 0.793 | 81% | 0.813 | S | S | * | * | trans | 165.4 | 126.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1906 | A | 22.7 | Very low | 22.5 | Very low | 98 Ų | 98 | 129.5 Ų | 129.5 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | trans | 177.8 | 108.9 | 140.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1907 | F | 23 | Very low | 22.6 | Very low | 207 Ų | 207 | 136.6 Ų | 136.6 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -148 | 122.8 | 159.2 | -112.1 | -77.9 | 0 | 0 | 0 | 106.6 | ||||
| 1908 | P | 24.6 | Very low | 22.8 | Very low | 127 Ų | 127 | 133.6 Ų | 133.6 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | -140.9 | 178.3 | 104.2 | 31.2 | -12.8 | 0 | 0 | 0 | 111.7 | |||||
| 1909 | G | 20.7 | Very low | 22.9 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 80% | 0.8 | S | S | * | * | cis | 123.6 | 87.7 | 3.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1910 | S | 25 | Very low | 22.7 | Very low | 117 Ų | 117 | 129.6 Ų | 129.6 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -174.6 | 157.3 | 178.7 | -178.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1911 | L | 22.3 | Very low | 22.8 | Very low | 158 Ų | 158 | 132 Ų | 132 | 83% | 0.827 | 80% | 0.8 | S | S | * | * | -175.7 | 147.6 | -51.2 | -107.6 | 166.3 | 0 | 0 | 0 | 107.8 | |||||
| 1912 | A | 23.8 | Very low | 22.9 | Very low | 93 Ų | 93 | 134.3 Ų | 134.3 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | 63.9 | 132.4 | 164.6 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1913 | P | 32.3 | Very low | 22.8 | Very low | 123 Ų | 123 | 131.4 Ų | 131.4 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | trans | -109.7 | 167 | 167.5 | 40.2 | -32.4 | 0 | 0 | 0 | 113.8 | ||||
| 1914 | L | 24.7 | Very low | 23 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 97% | 0.974 | 81% | 0.805 | S | S | * | * | trans | -142.6 | 170.9 | 167.8 | -88.2 | -178.6 | 0 | 0 | 0 | 113.1 | ||||
| 1915 | N | 20.7 | Very low | 23.3 | Very low | 144 Ų | 144 | 134.1 Ų | 134.1 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -124.4 | 156.7 | -148.5 | -151.3 | 2.1 | 0 | 0 | 0 | 115.4 | ||||
| 1916 | C | 19.6 | Very low | 23.9 | Very low | 112 Ų | 112 | 135.4 Ų | 135.4 | 76% | 0.757 | 80% | 0.798 | S | S | * | * | trans | 37.8 | 126.8 | 159.8 | -74.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 1917 | R | 23.6 | Very low | 24 | Very low | 236 Ų | 236 | 135.2 Ų | 135.2 | 89% | 0.891 | 80% | 0.796 | S | S | * | * | trans | -24.4 | 159 | 145.2 | -116.1 | -179.2 | -178.6 | -179.8 | 1.3 | 117.8 | ||||
| 1918 | P | 26.6 | Very low | 24.2 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | -153 | 176.9 | 75.8 | 42.2 | -23.1 | 0 | 0 | 0 | 118.9 | |||||
| 1919 | S | 21.3 | Very low | 24.1 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 79% | 0.786 | S | S | * | * | trans | 53.6 | 109.8 | 155.2 | -56.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1920 | S | 20.9 | Very low | 24.3 | Very low | 98 Ų | 98 | 138.5 Ų | 138.5 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | 59 | 120.1 | 77.6 | 79.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1921 | L | 22.2 | Very low | 24.2 | Very low | 161 Ų | 161 | 137.7 Ų | 137.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | -168.6 | 178.9 | 62 | -91.7 | 172.8 | 0 | 0 | 0 | 113 | |||||
| 1922 | L | 22.5 | Very low | 24.1 | Very low | 170 Ų | 170 | 137.3 Ų | 137.3 | 89% | 0.89 | 78% | 0.78 | S | S | * | * | trans | 79.7 | 135.2 | 160 | -73.4 | 167.7 | 0 | 0 | 0 | 120.6 | ||||
| 1923 | S | 21.3 | Very low | 24 | Very low | 96 Ų | 96 | 138.5 Ų | 138.5 | 67% | 0.671 | 78% | 0.783 | S | S | * | * | trans | -91.9 | 166.8 | 178.6 | 58.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1924 | R | 22.4 | Very low | 23.7 | Very low | 228 Ų | 228 | 140.3 Ų | 140.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | 156.5 | 103.5 | 105.9 | -176 | 72.7 | 106.8 | 141.8 | 6 | 114.6 | |||||
| 1925 | A | 26.6 | Very low | 23.5 | Very low | 84 Ų | 84 | 139.3 Ų | 139.3 | 69% | 0.694 | 78% | 0.78 | S | S | * | * | trans | 70.2 | -177.7 | 141.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1926 | P | 36.2 | Very low | 23.9 | Very low | 124 Ų | 124 | 139.1 Ų | 139.1 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | -137.2 | 179.2 | -117.2 | 35.8 | -12.6 | 0 | 0 | 0 | 116.2 | |||||
| 1927 | A | 23.7 | Very low | 24 | Very low | 94 Ų | 94 | 138.1 Ų | 138.1 | 78% | 0.777 | 78% | 0.784 | S | S | * | * | trans | 165.2 | 176.7 | 137.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1928 | V | 27.3 | Very low | 24.1 | Very low | 126 Ų | 126 | 131 Ų | 131 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 87.4 | 93 | 158.8 | -164.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1929 | V | 21.6 | Very low | 23.9 | Very low | 126 Ų | 126 | 132.6 Ų | 132.6 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | -53.2 | 147.5 | 159.3 | 173.8 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 1930 | R | 24.9 | Very low | 24 | Very low | 221 Ų | 221 | 133.7 Ų | 133.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | -159.9 | 109.2 | 144.3 | -99.3 | -178.4 | -173.4 | 101 | 0.6 | 109 | ||||
| 1931 | T | 23.1 | Very low | 24.1 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 62% | 0.62 | 79% | 0.785 | S | S | * | * | 68.8 | 89.3 | 91.6 | 62.1 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1932 | D | 21.3 | Very low | 24.2 | Very low | 150 Ų | 150 | 131.1 Ų | 131.1 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | 44.1 | 145.5 | 122 | -49.6 | -24.3 | 0 | 0 | 0 | 124 | |||||
| 1933 | S | 22 | Very low | 24.1 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | trans | 73.2 | 96.9 | 148.6 | -59.9 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1934 | I | 25.2 | Very low | 24.3 | Very low | 161 Ų | 161 | 131.2 Ų | 131.2 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -131.5 | 121.9 | 141.4 | -62.2 | -178 | 0 | 0 | 0 | 108.4 | ||||
| 1935 | N | 20.3 | Very low | 24.2 | Very low | 165 Ų | 165 | 124 Ų | 124 | 88% | 0.882 | 79% | 0.792 | S | S | * | * | trans | -83.1 | 145.2 | 167.2 | -88.4 | -22.5 | 0 | 0 | 0 | 110.2 | ||||
| 1936 | V | 28.9 | Very low | 24.1 | Very low | 140 Ų | 140 | 127 Ų | 127 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | -123.2 | 144.2 | 161.8 | -179.6 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1937 | A | 21.6 | Very low | 23.5 | Very low | 91 Ų | 91 | 124.4 Ų | 124.4 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | trans | -115.8 | -166.1 | -161.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1938 | A | 25.6 | Very low | 23.3 | Very low | 85 Ų | 85 | 126 Ų | 126 | 70% | 0.702 | 80% | 0.803 | S | S | * | * | trans | 71.1 | 151.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1939 | D | 22.8 | Very low | 23.2 | Very low | 145 Ų | 145 | 124.8 Ų | 124.8 | 78% | 0.775 | 81% | 0.806 | S | S | * | * | cis | -177.5 | 166.2 | -20.9 | -95.8 | -28.4 | 0 | 0 | 0 | 104.8 | ||||
| 1940 | T | 23.5 | Very low | 23.2 | Very low | 123 Ų | 123 | 128.3 Ų | 128.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | cis | -153.8 | 165.4 | -3.7 | 6.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1941 | A | 22.4 | Very low | 23.3 | Very low | 97 Ų | 97 | 127.1 Ų | 127.1 | 80% | 0.802 | 82% | 0.818 | S | S | * | * | trans | 46.8 | 109.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1942 | A | 25 | Very low | 23.4 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 90% | 0.901 | 83% | 0.832 | S | S | * | * | -170.7 | 130.2 | 106.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 1943 | S | 21.1 | Very low | 23.6 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 83% | 0.825 | 84% | 0.836 | S | S | * | * | trans | -120.1 | 130.4 | 180 | 53 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1944 | V | 24.2 | Very low | 23.6 | Very low | 150 Ų | 150 | 130.6 Ų | 130.6 | 91% | 0.909 | 83% | 0.83 | S | S | * | * | trans | -137.9 | 128 | 158 | 179.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 1945 | G | 21.7 | Very low | 23.7 | Very low | 75 Ų | 75 | 132.3 Ų | 132.3 | 77% | 0.773 | 83% | 0.833 | S | S | * | * | trans | -136.7 | 116 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1946 | V | 23.7 | Very low | 24 | Very low | 149 Ų | 149 | 132.4 Ų | 132.4 | 90% | 0.903 | 83% | 0.832 | S | S | * | * | trans | -151.4 | 141.4 | 166.7 | -175.2 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 1947 | G | 23.2 | Very low | 24.2 | Very low | 69 Ų | 69 | 131.6 Ų | 131.6 | 71% | 0.711 | 83% | 0.83 | S | S | * | * | cis | 168.4 | 130.4 | -3.6 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1948 | S | 21 | Very low | 24.3 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | trans | -80.9 | 136.7 | -170.6 | 50.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1949 | A | 24.3 | Very low | 24.2 | Very low | 99 Ų | 99 | 136.8 Ų | 136.8 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -145.7 | 118.3 | 161.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1950 | E | 22.1 | Very low | 24.3 | Very low | 200 Ų | 200 | 136 Ų | 136 | 94% | 0.935 | 82% | 0.822 | S | S | * | * | trans | -106.3 | 131.4 | 164.4 | -66.4 | 176.8 | 132.8 | 0 | 0 | 107 | ||||
| 1951 | E | 27.1 | Very low | 24.3 | Very low | 196 Ų | 196 | 138.5 Ų | 138.5 | 92% | 0.916 | 83% | 0.825 | S | S | * | * | trans | -135.7 | 115 | 166.6 | -75.5 | -166 | 141.1 | 0 | 0 | 109.3 | ||||
| 1952 | D | 24.2 | Very low | 24.3 | Very low | 173 Ų | 173 | 141.6 Ų | 141.6 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | trans | -78.8 | 132.7 | 167.9 | -84.2 | -52.2 | 0 | 0 | 0 | 110.2 | ||||
| 1953 | L | 26.3 | Very low | 24.7 | Very low | 168 Ų | 168 | 141.8 Ų | 141.8 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -145 | 126.6 | 159.2 | -110.3 | 174.3 | 0 | 0 | 0 | 111.2 | ||||
| 1954 | S | 22.5 | Very low | 25 | Very low | 101 Ų | 101 | 141.8 Ų | 141.8 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | trans | -106.2 | 137.1 | -174 | 52.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1955 | F | 25.7 | Very low | 25.4 | Very low | 198 Ų | 198 | 140.4 Ų | 140.4 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -153.5 | 130.1 | 159.2 | -105.4 | -74.7 | 0 | 0 | 0 | 111 | ||||
| 1956 | L | 27.4 | Very low | 25.4 | Very low | 166 Ų | 166 | 145 Ų | 145 | 87% | 0.869 | 81% | 0.813 | S | S | * | * | trans | -110.2 | 131.6 | 165.3 | -76.4 | 173 | 0 | 0 | 0 | 108.9 | ||||
| 1957 | P | 32.1 | Very low | 25.5 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 81% | 0.805 | 81% | 0.807 | S | S | * | * | trans | -91.2 | 154.5 | 147.3 | -11.9 | 30.3 | 0 | 0 | 0 | 110.4 | ||||
| 1958 | Q | 23.9 | Very low | 25.6 | Very low | 164 Ų | 164 | 147.9 Ų | 147.9 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -112.4 | -177.2 | -175.9 | -143.4 | 178.9 | -90.6 | 0 | 0 | 109.8 | ||||
| 1959 | D | 24.7 | Very low | 26 | Very low | 120 Ų | 120 | 150 Ų | 150 | 64% | 0.642 | 81% | 0.811 | S | S | * | * | trans | 72.6 | 145.6 | 154.8 | -57.5 | -16.9 | 0 | 0 | 0 | 117.4 | ||||
| 1960 | I | 24.2 | Very low | 25.9 | Very low | 128 Ų | 128 | 149 Ų | 149 | 66% | 0.656 | 80% | 0.803 | S | S | * | * | cis | -161.8 | -179 | -19.5 | -124.4 | 162.6 | 0 | 0 | 0 | 109.7 | ||||
| 1961 | E | 22.5 | Very low | 26 | Very low | 176 Ų | 176 | 144.8 Ų | 144.8 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 72.8 | 122.2 | 160.5 | -93.8 | 150.7 | -133.1 | 0 | 0 | 121.7 | ||||
| 1962 | I | 23 | Very low | 25.8 | Very low | 162 Ų | 162 | 142.7 Ų | 142.7 | 83% | 0.831 | 79% | 0.786 | S | S | * | * | trans | -123.5 | 117.3 | 159 | -63.2 | 169.7 | 0 | 0 | 0 | 107.2 | ||||
| 1963 | P | 33.2 | Very low | 25.7 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 135.5 | 170.8 | 31.8 | -31.6 | 0 | 0 | 0 | 112 | ||
| 1964 | P | 29 | Very low | 25.5 | Very low | 119 Ų | 119 | 142.2 Ų | 142.2 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 169.8 | 173.3 | 35.3 | -34.7 | 0 | 0 | 0 | 112.8 | ||
| 1965 | P | 31.2 | Very low | 25.4 | Very low | 121 Ų | 121 | 145.9 Ų | 145.9 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -98 | 154.8 | -167.4 | 37.3 | -35.4 | 0 | 0 | 0 | 115 | ||
| 1966 | M | 22.7 | Very low | 25.3 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 84% | 0.837 | 77% | 0.774 | S | S | * | * | trans | -160 | 173.2 | 157.7 | -124.2 | -173.1 | -53.9 | 0 | 0 | 114.6 | ||||
| 1967 | E | 25.5 | Very low | 25.1 | Very low | 167 Ų | 167 | 139.5 Ų | 139.5 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | 67 | 84.5 | 156 | -70.2 | 173.9 | 152 | 0 | 0 | 120.7 | ||||
| 1968 | S | 25.3 | Very low | 24.6 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | 20.2 | 118 | 113.3 | 173.1 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 1969 | L | 29.1 | Very low | 24.4 | Very low | 171 Ų | 171 | 134.2 Ų | 134.2 | 90% | 0.895 | 77% | 0.769 | S | S | * | * | trans | -144.2 | 132 | 146.7 | -107.2 | 145.2 | 0 | 0 | 0 | 110.3 | ||||
| 1970 | A | 22.3 | Very low | 24.4 | Very low | 79 Ų | 79 | 133.8 Ų | 133.8 | 65% | 0.653 | 77% | 0.767 | S | S | * | * | trans | -100.5 | 175.3 | 167.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1971 | S | 23.7 | Very low | 24.3 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 71.8 | 148.3 | -176.8 | 86.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1972 | E | 22.9 | Very low | 24.4 | Very low | 153 Ų | 153 | 134 Ų | 134 | 72% | 0.715 | 77% | 0.768 | S | S | * | * | cis | -148.3 | -168.1 | -14.6 | -131.6 | -162.6 | 134.9 | 0 | 0 | 113.2 | ||||
| 1973 | K | 22.2 | Very low | 24.5 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 74% | 0.735 | 77% | 0.768 | S | S | * | * | trans | -60.2 | 135.4 | -164.7 | -65.2 | 163.7 | -172.4 | 112.8 | 0 | 115.1 | ||||
| 1974 | L | 21.6 | Very low | 24.1 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 84% | 0.843 | 76% | 0.761 | S | S | * | * | trans | -20.9 | 124.7 | 140.8 | -170.9 | 83.4 | 0 | 0 | 0 | 114.7 | ||||
| 1975 | M | 22.1 | Very low | 23.6 | Very low | 179 Ų | 179 | 133 Ų | 133 | 88% | 0.882 | 76% | 0.762 | S | S | * | * | trans | -134.2 | 157.4 | 156.8 | -101.6 | -67.1 | 113.9 | 0 | 0 | 109.7 | ||||
| 1976 | A | 22.4 | Very low | 23.2 | Very low | 79 Ų | 79 | 131.9 Ų | 131.9 | 65% | 0.653 | 76% | 0.758 | S | S | * | * | trans | -100.8 | -161.1 | -160.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1977 | T | 23.1 | Very low | 23.1 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 92% | 0.92 | 76% | 0.756 | S | S | * | * | trans | 79.2 | 145 | -174.8 | 76.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1978 | G | 21.6 | Very low | 22.7 | Very low | 57 Ų | 57 | 127.9 Ų | 127.9 | 59% | 0.588 | 76% | 0.757 | S | S | * | * | cis | 158.3 | 141.5 | -11.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1979 | S | 20 | Very low | 22.5 | Very low | 121 Ų | 121 | 128 Ų | 128 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | 60.5 | 154 | -179.8 | 56.9 | 0 | 0 | 0 | 0 | 115 | ||||
| 1980 | D | 24.9 | Very low | 22.2 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 59% | 0.594 | 75% | 0.75 | S | S | * | * | cis | -164.6 | 151.3 | 29 | -143.3 | -0.7 | 0 | 0 | 0 | 112.4 | ||||
| 1981 | K | 22 | Very low | 22.2 | Very low | 160 Ų | 160 | 127.6 Ų | 127.6 | 70% | 0.696 | 76% | 0.758 | S | S | * | * | trans | 44.1 | 153.3 | 146.9 | -70 | 158.4 | -163 | 136 | 0 | 125.5 | ||||
| 1982 | N | 24 | Very low | 22.2 | Very low | 149 Ų | 149 | 128.7 Ų | 128.7 | 80% | 0.797 | 76% | 0.755 | S | S | * | * | trans | 92.2 | 148.8 | 150.5 | -64 | -23.9 | 0 | 0 | 0 | 121.1 | ||||
| 1983 | N | 26.8 | Very low | 22.2 | Very low | 155 Ų | 155 | 130 Ų | 130 | 83% | 0.829 | 76% | 0.761 | S | S | * | * | trans | 62.6 | 161.7 | 174.6 | -85.7 | 6.1 | 0 | 0 | 0 | 117.9 | ||||
| 1984 | S | 23.2 | Very low | 22.2 | Very low | 84 Ų | 84 | 128.8 Ų | 128.8 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | cis | -177.6 | 138 | -38.6 | 53.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1985 | V | 20.1 | Very low | 22.1 | Very low | 132 Ų | 132 | 129.3 Ų | 129.3 | 80% | 0.8 | 76% | 0.756 | S | S | * | * | trans | 58.8 | 118.9 | 154.6 | -179.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1986 | S | 21.3 | Very low | 22.1 | Very low | 99 Ų | 99 | 128.2 Ų | 128.2 | 69% | 0.692 | 75% | 0.752 | S | S | * | * | trans | -2.4 | 145.8 | 156.1 | 61.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1987 | V | 20.3 | Very low | 22 | Very low | 132 Ų | 132 | 129.9 Ų | 129.9 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | -152.7 | 160.6 | 62 | 162.3 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 1988 | C | 18.6 | Very low | 21.9 | Very low | 120 Ų | 120 | 131.4 Ų | 131.4 | 81% | 0.811 | 75% | 0.748 | S | S | * | * | trans | -38.2 | 156.9 | 175.1 | -50.9 | 0 | 0 | 0 | 0 | 117 | ||||
| 1989 | S | 20.2 | Very low | 21.9 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | -146.4 | 156.3 | 8.5 | -158.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1990 | V | 23.2 | Very low | 22 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 74% | 0.739 | 76% | 0.756 | S | S | * | * | trans | -104.9 | 143.4 | 171.2 | 170.4 | 0 | 0 | 0 | 0 | 110 | D1992 | V1990-D1992 WeakPolarHBondContact CG1-O 3.23Š| ||
| 1991 | C | 22.2 | Very low | 22.1 | Very low | 121 Ų | 121 | 138.6 Ų | 138.6 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | trans | -173 | 131.1 | 141.9 | -173.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1992 | D | 22.7 | Very low | 22.1 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | cis | 19.5 | 107.9 | -10.1 | -71.2 | -24.8 | 0 | 0 | 0 | 120.2 | V1990 | V1990-D1992 WeakPolarHBondContact CG1-O 3.23Š| ||
| 1993 | Q | 22.8 | Very low | 22 | Very low | 180 Ų | 180 | 131.3 Ų | 131.3 | 84% | 0.841 | 74% | 0.738 | S | S | * | * | -146.4 | 157.2 | 82.3 | -146.9 | 115.7 | 48.5 | 0 | 0 | 112 | |||||
| 1994 | M | 22.6 | Very low | 21.9 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 71% | 0.709 | 73% | 0.732 | S | S | * | * | trans | -74.1 | 160.7 | -178 | -104.3 | -170.4 | -175.3 | 0 | 0 | 114.2 | ||||
| 1995 | K | 21 | Very low | 21.9 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 69.9 | 105.6 | 151.3 | -68.1 | 154.7 | -177.1 | 163.2 | 0 | 118.4 | ||||
| 1996 | I | 21.9 | Very low | 22 | Very low | 156 Ų | 156 | 136.8 Ų | 136.8 | 80% | 0.8 | 74% | 0.739 | S | S | * | * | 23.7 | 112 | 119.2 | -47.1 | 168.1 | 0 | 0 | 0 | 115.9 | |||||
| 1997 | T | 20.4 | Very low | 22.1 | Very low | 114 Ų | 114 | 136 Ų | 136 | 70% | 0.699 | 74% | 0.738 | S | S | * | * | -176.7 | 134.1 | 116.4 | 22.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 1998 | K | 20.6 | Very low | 22.2 | Very low | 182 Ų | 182 | 135.6 Ų | 135.6 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | 48.4 | 109.1 | 140.2 | -59.3 | 170.6 | 179 | -178.3 | 0 | 121 | ||||
| 1999 | F | 22.2 | Very low | 22.4 | Very low | 209 Ų | 209 | 134.7 Ų | 134.7 | 92% | 0.917 | 73% | 0.728 | S | S | * | * | -159.5 | 126.6 | 127.6 | -95.9 | -85 | 0 | 0 | 0 | 104.8 | |||||
| 2000 | S | 20.5 | Very low | 22.5 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 73% | 0.725 | S | S | * | * | cis | 87.8 | 94.7 | 40.8 | -176.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 2001 | T | 26.8 | Very low | 22.5 | Very low | 131 Ų | 131 | 138.6 Ų | 138.6 | 80% | 0.804 | 73% | 0.728 | S | S | * | * | trans | -170.9 | 126.4 | 157.4 | 6.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 2002 | T | 23.2 | Very low | 22.7 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 46% | 0.46 | 73% | 0.725 | S | S | . | * | trans | 37.5 | 96.7 | 138.1 | 59.1 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 2003 | D | 22.3 | Very low | 23 | Very low | 82 Ų | 82 | 139.6 Ų | 139.6 | 44% | 0.439 | 72% | 0.715 | S | S | . | * | 42.5 | 144.8 | 119.1 | -104.9 | -2.1 | 0 | 0 | 0 | 126.9 | V2024 A2025 | D2003-V2024 WeakPolarHBondContact CB-O 3.29Å; D2003-A2025 HydrophobicContact CB-CB 3.91Å | |||
| 2004 | K | 24.5 | Very low | 23.3 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 69% | 0.691 | 71% | 0.708 | S | S | * | * | trans | 54.6 | 101.1 | 138.7 | -72.1 | 167.3 | -165.4 | 143.8 | 0 | 122.9 | ||||
| 2005 | F | 23.6 | Very low | 23.6 | Very low | 187 Ų | 187 | 135.2 Ų | 135.2 | 82% | 0.82 | 71% | 0.705 | S | S | * | * | 64.3 | 123.3 | 104.7 | -112.4 | -119.4 | 0 | 0 | 0 | 121 | |||||
| 2006 | L | 21.1 | Very low | 24 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 73% | 0.728 | 70% | 0.704 | S | S | * | * | trans | 65.1 | 111.9 | 165.1 | -55.2 | 171.3 | 0 | 0 | 0 | 114.1 | ||||
| 2007 | A | 23.5 | Very low | 24.4 | Very low | 82 Ų | 82 | 129.9 Ų | 129.9 | 68% | 0.678 | 70% | 0.702 | S | S | * | * | 62.8 | 153.9 | 52.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 2008 | T | 23.2 | Very low | 24.6 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 77% | 0.767 | 71% | 0.706 | S | S | * | * | trans | 63.9 | 133.3 | -166.7 | 24.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 2009 | T | 22.9 | Very low | 24.9 | Very low | 101 Ų | 101 | 131.7 Ų | 131.7 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | cis | -151.5 | 133.6 | 11.5 | -26.7 | 0 | 0 | 0 | 0 | 113.7 | R2011 | T2009-R2011 CarbonylContact C-O 3.46Å; T2009-R2011 WeakPolarHBondContact CB-O 3.28Å; T2009-R2011 HydrophobicContact CG2-CB 3.75Å; T2009-R2011 WeakPolarHBondContact CG2-O 3.38Å | ||
| 2010 | S | 20.4 | Very low | 25.2 | Very low | 107 Ų | 107 | 125 Ų | 125 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | -126.3 | 122.8 | 129.6 | -175.7 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 2011 | R | 24.5 | Very low | 25.3 | Very low | 212 Ų | 212 | 129.5 Ų | 129.5 | 80% | 0.8 | 71% | 0.709 | S | S | * | * | cis | -7.3 | 134.3 | -5.8 | -66.8 | -174.7 | -73.4 | -163.5 | -2.7 | 117.9 | T2009 | T2009-R2011 CarbonylContact C-O 3.46Å; T2009-R2011 WeakPolarHBondContact CB-O 3.28Å; T2009-R2011 HydrophobicContact CG2-CB 3.75Å; T2009-R2011 WeakPolarHBondContact CG2-O 3.38Å | ||
| 2012 | R | 26.9 | Very low | 25.2 | Very low | 202 Ų | 202 | 132.6 Ų | 132.6 | 76% | 0.762 | 72% | 0.715 | S | S | * | * | S | Bend | cis | -81.9 | -21.4 | 23.7 | 43.6 | -165.3 | -69.1 | -168 | 0.1 | 116.7 | M2014 | R2012-M2014 WeakPolarHBondContact CD-O 3.35Å; R2012-M2014 HydrophobicContact CG-CB 4.45Å; R2012-M2014 WeakPolarHBondContact CG-O 3.44Å |
| 2013 | C | 27.3 | Very low | 25.4 | Very low | 74 Ų | 74 | 137.2 Ų | 137.2 | 50% | 0.5 | 73% | 0.731 | S | S | . | * | 71.2 | -169.3 | -83.8 | 79.4 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 2014 | M | 30.4 | Very low | 25.8 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 69% | 0.685 | 74% | 0.737 | S | S | * | * | trans | 13.7 | 137.5 | 161.3 | -56 | -173.5 | 83.9 | 0 | 0 | 120.1 | R2012 | R2012-M2014 WeakPolarHBondContact CD-O 3.35Å; R2012-M2014 HydrophobicContact CG-CB 4.45Å; R2012-M2014 WeakPolarHBondContact CG-O 3.44Å | ||
| 2015 | S | 28.4 | Very low | 25.9 | Very low | 93 Ų | 93 | 132.7 Ų | 132.7 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | cis | 177 | 146.9 | -8.7 | 45.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 2016 | A | 29 | Very low | 26.1 | Very low | 89 Ų | 89 | 126.4 Ų | 126.4 | 74% | 0.736 | 71% | 0.713 | S | S | * | * | trans | 65.9 | 124.1 | 147.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 2017 | V | 30.3 | Very low | 26.7 | Very low | 125 Ų | 125 | 125.9 Ų | 125.9 | 76% | 0.758 | 71% | 0.706 | S | S | * | * | trans | 91.8 | 143.8 | 131.6 | 169.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 2018 | E | 26.2 | Very low | 27.3 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 78% | 0.776 | 71% | 0.709 | S | S | * | * | trans | 88.6 | 107.7 | 161.3 | -87.1 | 157.1 | -134.6 | 0 | 0 | 123.9 | ||||
| 2019 | I | 26.2 | Very low | 27.8 | Very low | 169 Ų | 169 | 129.7 Ų | 129.7 | 87% | 0.867 | 71% | 0.71 | S | S | * | * | trans | 57.9 | 135.1 | 131.6 | -55.4 | 169.8 | 0 | 0 | 0 | 121.9 | ||||
| 2020 | G | 27.3 | Very low | 28.3 | Very low | 68 Ų | 68 | 130.4 Ų | 130.4 | 70% | 0.701 | 70% | 0.704 | S | S | * | * | trans | 161.1 | 151 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 2021 | E | 23.1 | Very low | 28.8 | Very low | 195 Ų | 195 | 135 Ų | 135 | 91% | 0.911 | 71% | 0.705 | S | S | * | * | trans | -137.9 | -178.2 | -178.9 | -65.2 | -176.7 | 121.6 | 0 | 0 | 112.9 | ||||
| 2022 | E | 25.9 | Very low | 29.3 | Very low | 196 Ų | 196 | 131.9 Ų | 131.9 | 92% | 0.916 | 70% | 0.702 | S | S | * | * | trans | 87.5 | 174.4 | 168.5 | -62.2 | -160.3 | 140.3 | 0 | 0 | 121.1 | ||||
| 2023 | E | 26.4 | Very low | 29.6 | Very low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 71% | 0.705 | S | S | * | * | trans | -96.3 | 166.7 | -141.5 | -51.9 | -174.4 | 116.4 | 0 | 0 | 117.8 | ||||
| 2024 | V | 31.4 | Very low | 29.6 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 56% | 0.558 | 72% | 0.719 | S | S | * | * | 159.4 | 127.8 | 119.3 | 156.7 | 0 | 0 | 0 | 0 | 110.1 | D2003 | D2003-V2024 WeakPolarHBondContact CB-O 3.29Š| |||
| 2025 | A | 26.3 | Very low | 29.5 | Very low | 54 Ų | 54 | 137.4 Ų | 137.4 | 45% | 0.446 | 73% | 0.727 | S | S | . | * | trans | -155.8 | 130.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 113 | D2003 | D2003-A2025 HydrophobicContact CB-CB 3.91Š| ||
| 2026 | G | 28.5 | Very low | 29.6 | Very low | 54 Ų | 54 | 141.9 Ų | 141.9 | 56% | 0.557 | 74% | 0.738 | S | S | * | * | trans | -174.3 | 41.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | K2030 | G2026-K2030 PolarHBondContact O-NZ 3.25Š| ||
| 2027 | E | 33.8 | Very low | 29.5 | Very low | 128 Ų | 128 | 145.4 Ų | 145.4 | 60% | 0.598 | 74% | 0.744 | S | S | * | * | trans | -133.6 | 10.5 | -168.8 | -149.4 | 57.5 | -131.5 | 0 | 0 | 115 | K2030 | E2027-K2030 WeakPolarHBondContact OE1-CD 3.15Å; E2027-K2030 IonicContact OE1-NZ 2.62Å; E2027-K2030 IonicContact OE2-NZ 2.7Å; E2027-K2030 PolarHBondContact OE2-NZ 2.71Å | ||
| 2028 | I | 34.2 | Very low | 29.2 | Very low | 144 Ų | 144 | 151 Ų | 151 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -88.5 | -48.1 | 175.3 | -64.9 | -180 | 0 | 0 | 0 | 111.6 | K2030 R2031 | I2028-K2030 PolarHBondContact O-N 2.74Å; I2028-K2030 VanDerWaalsContact O-N 3.12Å; I2028-R2031 WeakPolarHBondContact O-CB 3.34Å; I2028-R2031 PolarHBondContact O-N 2.93Å |
| 2029 | D | 35.7 | Very low | 29.1 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -61.8 | -24.1 | -178.3 | -71.2 | -30.2 | 0 | 0 | 0 | 113.8 | R2031 | D2029-R2031 VanDerWaalsContact C-N 3.25Å; D2029-R2031 PolarHBondContact O-N 3.49Å |
| 2030 | K | 33.1 | Very low | 29.3 | Very low | 116 Ų | 116 | 145.5 Ų | 145.5 | 50% | 0.504 | 74% | 0.743 | S | S | . | * | H | α-helix | trans | -72.8 | -11.9 | 174.4 | -72.9 | 165.5 | -179.4 | 154.6 | 0 | 114 | G2026 E2027 I2028 | G2026-K2030 PolarHBondContact O-NZ 3.25Å; E2027-K2030 WeakPolarHBondContact OE1-CD 3.15Å; E2027-K2030 IonicContact OE1-NZ 2.62Å; E2027-K2030 IonicContact OE2-NZ 2.7Å; E2027-K2030 PolarHBondContact OE2-NZ 2.71Å; I2028-K2030 PolarHBondContact O-N 2.74Å; I2028-K2030 VanDerWaalsContact O-N 3.12Å |
| 2031 | R | 30.6 | Very low | 29 | Very low | 204 Ų | 204 | 151.2 Ų | 151.2 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | H | α-helix | trans | -90 | -30 | -174.9 | -156.6 | 168.8 | -172.7 | 166.6 | 1.6 | 113.6 | I2028 D2029 | I2028-R2031 WeakPolarHBondContact O-CB 3.34Å; I2028-R2031 PolarHBondContact O-N 2.93Å; D2029-R2031 VanDerWaalsContact C-N 3.25Å; D2029-R2031 PolarHBondContact O-N 3.49Å |
| 2032 | I | 34.2 | Very low | 29.2 | Very low | 145 Ų | 145 | 149.4 Ų | 149.4 | 74% | 0.744 | 75% | 0.747 | S | S | * | * | H | α-helix | trans | -70.7 | -37.9 | 173.5 | -65.6 | 174.1 | 0 | 0 | 0 | 110.3 | R2034 | I2032-R2034 PolarHBondContact O-N 3.16Å |
| 2033 | L | 32.5 | Very low | 29.2 | Very low | 156 Ų | 156 | 146.7 Ų | 146.7 | 82% | 0.817 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 12.7 | 178.7 | -108 | 170.2 | 0 | 0 | 0 | 115.6 | ||
| 2034 | R | 28.5 | Very low | 29 | Very low | 212 Ų | 212 | 147 Ų | 147 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.2 | 10 | -177.8 | -81.9 | -170.5 | 172.9 | 176.3 | 0.6 | 116.1 | I2032 | I2032-R2034 PolarHBondContact O-N 3.16Š|
| 2035 | L | 27.5 | Very low | 28.9 | Very low | 163 Ų | 163 | 147.5 Ų | 147.5 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -121.9 | 19.3 | 175.5 | -70.6 | 176.2 | 0 | 0 | 0 | 114.9 | ||
| 2036 | Q | 30.1 | Very low | 28.6 | Very low | 187 Ų | 187 | 148.9 Ų | 148.9 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -124.1 | 74.5 | 161.7 | -75.9 | -174.5 | -43.1 | 0 | 0 | 110.4 | ||
| 2037 | L | 28.3 | Very low | 28.2 | Very low | 163 Ų | 163 | 151.9 Ų | 151.9 | 85% | 0.853 | 77% | 0.772 | S | S | * | * | trans | -174.9 | 87.6 | 159.4 | -108 | 164.9 | 0 | 0 | 0 | 111.1 | ||||
| 2038 | R | 23.5 | Very low | 27.8 | Very low | 244 Ų | 244 | 152.4 Ų | 152.4 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | -156.4 | 60.3 | 157 | -151.3 | 168.4 | -151 | -123.5 | -3.4 | 114 | ||||
| 2039 | S | 25.1 | Very low | 27 | Very low | 94 Ų | 94 | 152.8 Ų | 152.8 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -66 | 129.4 | 157.3 | 42.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 2040 | P | 29 | Very low | 26.4 | Very low | 125 Ų | 125 | 153.9 Ų | 153.9 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 134 | 169.5 | 31.2 | -32 | 0 | 0 | 0 | 110.2 | ||
| 2041 | E | 21.5 | Very low | 25.8 | Very low | 187 Ų | 187 | 152.6 Ų | 152.6 | 87% | 0.874 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 138.4 | -178.9 | -59 | 164.5 | 121.2 | 0 | 0 | 111 | ||
| 2042 | L | 26.6 | Very low | 25.7 | Very low | 158 Ų | 158 | 154.4 Ų | 154.4 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -150.2 | 103 | 164.9 | -106.5 | 173.3 | 0 | 0 | 0 | 112.7 | ||||
| 2043 | N | 25.9 | Very low | 25.1 | Very low | 139 Ų | 139 | 157.6 Ų | 157.6 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | trans | 56.2 | 105.9 | 148.6 | -63.4 | -8.8 | 0 | 0 | 0 | 123 | ||||
| 2044 | M | 22.4 | Very low | 24.7 | Very low | 179 Ų | 179 | 154.9 Ų | 154.9 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | 76.7 | 159.5 | 130 | -68.5 | -142.1 | 80.5 | 0 | 0 | 120.9 | |||||
| 2045 | P | 29 | Very low | 24.7 | Very low | 102 Ų | 102 | 149.7 Ų | 149.7 | 66% | 0.662 | 81% | 0.808 | S | S | * | * | trans | -134 | 179.1 | -145.5 | 45.8 | -31.3 | 0 | 0 | 0 | 117.8 | ||||
| 2046 | A | 20.4 | Very low | 24.6 | Very low | 83 Ų | 83 | 147.7 Ų | 147.7 | 69% | 0.686 | 81% | 0.808 | S | S | * | * | trans | 83.9 | 139.9 | 148 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 2047 | S | 19.8 | Very low | 24.6 | Very low | 117 Ų | 117 | 147.8 Ų | 147.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 57.7 | 127.5 | 172.9 | 49 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2048 | T | 25.2 | Very low | 24.6 | Very low | 138 Ų | 138 | 145.8 Ų | 145.8 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | cis | -151.5 | 172.6 | 44.1 | -62 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2049 | E | 18.7 | Very low | 25.1 | Very low | 152 Ų | 152 | 140 Ų | 140 | 71% | 0.71 | 80% | 0.799 | S | S | * | * | trans | -80 | 179.4 | -176.9 | -46.1 | 179.1 | 141.5 | 0 | 0 | 115.4 | ||||
| 2050 | Q | 22.1 | Very low | 25.6 | Very low | 167 Ų | 167 | 139.6 Ų | 139.6 | 78% | 0.78 | 79% | 0.793 | S | S | * | * | trans | 75.6 | 151.4 | 155.7 | -62.5 | 158.7 | 44.9 | 0 | 0 | 118.3 | ||||
| 2051 | S | 20.5 | Very low | 26.1 | Very low | 89 Ų | 89 | 137.5 Ų | 137.5 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | cis | -174.1 | 95.3 | -28.2 | 168.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 2052 | Y | 28.6 | Very low | 27.4 | Very low | 242 Ų | 242 | 133.2 Ų | 133.2 | 95% | 0.949 | 77% | 0.765 | S | S | * | * | trans | -145.4 | 143.7 | 159.7 | -76 | -66.1 | 0 | 0 | 0 | 112.7 | ||||
| 2053 | K | 21.3 | Very low | 29.1 | Very low | 212 Ų | 212 | 132.1 Ų | 132.1 | 92% | 0.922 | 76% | 0.76 | S | S | * | * | trans | -129.1 | 136.7 | 174.9 | -62.4 | 174.4 | 178.8 | 176.3 | 0 | 108.8 | ||||
| 2054 | A | 25.3 | Very low | 31 | Very low | 100 Ų | 100 | 131.9 Ų | 131.9 | 83% | 0.826 | 76% | 0.755 | S | S | * | * | trans | -169 | 168.9 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2055 | A | 28.2 | Very low | 33.6 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 84% | 0.843 | 73% | 0.726 | S | S | * | * | trans | 55.5 | 94.8 | 167.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 2056 | S | 26.1 | Very low | 35.7 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 72% | 0.719 | S | S | * | * | trans | -126.5 | 101.4 | 167.7 | 59.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 2057 | E | 28.6 | Very low | 38.9 | Very low | 188 Ų | 188 | 124.7 Ų | 124.7 | 88% | 0.879 | 70% | 0.703 | S | S | * | * | trans | -92.9 | 163.3 | 173.7 | -70.7 | -167.1 | 123.9 | 0 | 0 | 112.7 | V2059 | E2057-V2059 PolarHBondContact O-N 3.15Š| ||
| 2058 | S | 29 | Very low | 42.2 | Very low | 121 Ų | 121 | 119.4 Ų | 119.4 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | trans | -79.3 | 82.4 | -164.5 | 177.7 | 0 | 0 | 0 | 0 | 113.8 | V2060 | S2058-V2060 PolarHBondContact O-N 3.32Š| ||
| 2059 | V | 34.1 | Very low | 45.2 | Very low | 122 Ų | 122 | 116.1 Ų | 116.1 | 74% | 0.739 | 64% | 0.639 | S | S | * | * | trans | -69 | 113.3 | 173.9 | -179.3 | 0 | 0 | 0 | 0 | 111.5 | E2057 | E2057-V2059 PolarHBondContact O-N 3.15Š| ||
| 2060 | V | 34.9 | Very low | 48.6 | Very low | 87 Ų | 87 | 113.3 Ų | 113.3 | 53% | 0.527 | 63% | 0.626 | S | S | . | * | trans | -61.5 | 131.3 | 166.5 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | S2058 V2062 | S2058-V2060 PolarHBondContact O-N 3.32Å; V2060-V2062 PolarHBondContact O-N 3.39Å; V2060-V2062 VanDerWaalsContact O-N 3.16Å | ||
| 2061 | P | 39.3 | Very low | 52 | Low | 81 Ų | 81 | 110.6 Ų | 110.6 | 53% | 0.526 | 61% | 0.611 | S | S | . | * | trans | -64.3 | 119.6 | -170.2 | 23.6 | -34 | 0 | 0 | 0 | 112.4 | N2063 E2064 | P2061-N2063 PolarHBondContact O-N 3.26Å; P2061-E2064 PolarHBondContact O-N 2.9Å | ||
| 2062 | V | 49.3 | Very low | 55.6 | Low | 96 Ų | 96 | 107.4 Ų | 107.4 | 58% | 0.582 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -43.6 | -30.5 | -180 | -179.4 | 0 | 0 | 0 | 0 | 113.9 | V2060 E2064 Q2065 Q2066 | V2060-V2062 PolarHBondContact O-N 3.39Å; V2060-V2062 VanDerWaalsContact O-N 3.16Å; V2062-E2064 VanDerWaalsContact C-N 3.32Å; V2062-E2064 PolarHBondContact O-N 3.24Å; V2062-Q2065 PolarHBondContact O-N 2.68Å; V2062-Q2066 PolarHBondContact O-N 2.6Å; V2062-Q2066 VanDerWaalsContact O-N 3.11Å |
| 2063 | N | 63.1 | Low | 58.6 | Low | 135 Ų | 135 | 100.9 Ų | 100.9 | 72% | 0.722 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.4 | -34.8 | 179.5 | -138.5 | 16.4 | 0 | 0 | 0 | 113.4 | P2061 A2067 | P2061-N2063 PolarHBondContact O-N 3.26Å; N2063-A2067 WeakPolarHBondContact O-CB 2.96Å; N2063-A2067 PolarHBondContact O-N 2.64Å; N2063-A2067 VanDerWaalsContact O-N 3.08Å |
| 2064 | E | 65.1 | Low | 62.1 | Low | 135 Ų | 135 | 97 Ų | 97 | 63% | 0.631 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -73.2 | -41.7 | 178.3 | -69.7 | -151.3 | 132.5 | 0 | 0 | 112.4 | P2061 V2062 Q2066 A2067 A2068 | P2061-E2064 PolarHBondContact O-N 2.9Å; V2062-E2064 VanDerWaalsContact C-N 3.32Å; V2062-E2064 PolarHBondContact O-N 3.24Å; E2064-Q2066 VanDerWaalsContact C-N 3.28Å; E2064-Q2066 PolarHBondContact O-N 3.31Å; E2064-A2067 PolarHBondContact O-N 2.89Å; E2064-A2068 WeakPolarHBondContact O-CB 3.48Å; E2064-A2068 PolarHBondContact O-N 3.25Å |
| 2065 | Q | 77.3 | Confident | 65.5 | Low | 61 Ų | 61 | 93.1 Ų | 93.1 | 29% | 0.285 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 174.8 | -66.1 | 178.3 | -14.3 | 0 | 0 | 110.9 | V2062 A2068 R2069 | V2062-Q2065 PolarHBondContact O-N 2.68Å; Q2065-A2068 WeakPolarHBondContact O-CB 3.44Å; Q2065-A2068 PolarHBondContact O-N 3.35Å; Q2065-R2069 WeakPolarHBondContact O-CG 3.45Å; Q2065-R2069 PolarHBondContact O-N 3.45Å |
| 2066 | Q | 73.6 | Confident | 68.7 | Low | 109 Ų | 109 | 88.6 Ų | 88.6 | 51% | 0.509 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 177.6 | -156.8 | 66.7 | 2 | 0 | 0 | 112.1 | V2062 E2064 A2068 R2069 E2070 | V2062-Q2066 PolarHBondContact O-N 2.6Å; V2062-Q2066 VanDerWaalsContact O-N 3.11Å; E2064-Q2066 VanDerWaalsContact C-N 3.28Å; E2064-Q2066 PolarHBondContact O-N 3.31Å; Q2066-A2068 VanDerWaalsContact C-N 3.29Å; Q2066-A2068 PolarHBondContact O-N 2.79Å; Q2066-R2069 PolarHBondContact O-N 2.9Å; Q2066-E2070 PolarHBondContact O-N 2.94Å |
| 2067 | A | 85.9 | Confident | 72 | Confident | 43 Ų | 43 | 86 Ų | 86 | 36% | 0.355 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.9 | -28 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | N2063 E2064 K2071 | N2063-A2067 WeakPolarHBondContact O-CB 2.96Å; N2063-A2067 PolarHBondContact O-N 2.64Å; N2063-A2067 VanDerWaalsContact O-N 3.08Å; E2064-A2067 PolarHBondContact O-N 2.89Å; A2067-K2071 VanDerWaalsContact O-CG 3.32Å; A2067-K2071 WeakPolarHBondContact O-CG 3.32Å; A2067-K2071 PolarHBondContact O-N 2.86Å; A2067-K2071 VanDerWaalsContact O-N 3.12Å |
| 2068 | A | 89.9 | Confident | 75.2 | Confident | 6 Ų | 6 | 81.7 Ų | 81.7 | 5% | 0.05 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -71.6 | -45.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E2064 Q2065 Q2066 E2070 K2071 R2072 R2221 A2222 | E2064-A2068 WeakPolarHBondContact O-CB 3.48Å; E2064-A2068 PolarHBondContact O-N 3.25Å; Q2065-A2068 WeakPolarHBondContact O-CB 3.44Å; Q2065-A2068 PolarHBondContact O-N 3.35Å; Q2066-A2068 VanDerWaalsContact C-N 3.29Å; Q2066-A2068 PolarHBondContact O-N 2.79Å; A2068-E2070 VanDerWaalsContact C-N 3.31Å; A2068-E2070 PolarHBondContact O-N 2.83Å; A2068-K2071 PolarHBondContact O-N 3.14Å; A2068-R2072 WeakPolarHBondContact O-CB 3.47Å; A2068-R2072 PolarHBondContact O-N 3.01Å; A2068-R2221 HydrophobicContact CB-CB 3.71Å; A2068-A2222 HydrophobicContact CB-CB 4.3Å |
| 2069 | R | 88.9 | Confident | 78.4 | Confident | 69 Ų | 69 | 76 Ų | 76 | 26% | 0.26 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -56 | -43.9 | 172.2 | -70.6 | 172.6 | -178.9 | 106.9 | 21.8 | 112.2 | Q2065 Q2066 R2072 R2073 A2222 E2224 | Q2065-R2069 WeakPolarHBondContact O-CG 3.45Å; Q2065-R2069 PolarHBondContact O-N 3.45Å; Q2066-R2069 PolarHBondContact O-N 2.9Å; R2069-R2072 WeakPolarHBondContact O-CB 3.26Å; R2069-R2072 PolarHBondContact O-N 3Å; R2069-R2073 PolarHBondContact O-N 3Å; R2069-A2222 HydrophobicContact CG-CB 3.98Å; R2069-A2222 PolarHBondContact NH2-O 3.41Å; R2069-E2224 IonicContact CZ-OE1 3.89Å; R2069-E2224 IonicContact NE-OE1 2.75Å; R2069-E2224 PolarHBondContact NE-OE1 3.3Å; R2069-E2224 IonicContact NH2-OE1 2.77Å; R2069-E2224 PolarHBondContact NH2-OE1 3.41Å |
| 2070 | E | 89.3 | Confident | 81.4 | Confident | 93 Ų | 93 | 70.3 Ų | 70.3 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -66.2 | -41.8 | 177.6 | -177.3 | 130.1 | -104.4 | 0 | 0 | 112.2 | Q2066 A2068 R2072 R2073 Y2074 | Q2066-E2070 PolarHBondContact O-N 2.94Å; A2068-E2070 VanDerWaalsContact C-N 3.31Å; A2068-E2070 PolarHBondContact O-N 2.83Å; E2070-R2072 PolarHBondContact O-N 2.92Å; E2070-R2073 WeakPolarHBondContact O-CB 3.28Å; E2070-R2073 PolarHBondContact O-N 3.33Å; E2070-R2073 IonicContact OE1-CZ 2.75Å; E2070-R2073 IonicContact OE1-NE 3.76Å; E2070-R2073 IonicContact OE1-NH2 3.68Å; E2070-R2073 PolarHBondContact OE1-NH2 2.9Å; E2070-Y2074 HydrophobicContact CG-CD2 4.3Å; E2070-Y2074 HydrophobicContact CG-CE2 3.61Å; E2070-Y2074 WeakPolarHBondContact O-CD2 3.47Å; E2070-Y2074 PolarHBondContact O-N 2.88Å |
| 2071 | K | 93.5 | Very high | 84.3 | Confident | 110 Ų | 110 | 70.7 Ų | 70.7 | 48% | 0.478 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 173.1 | -74.4 | 169.6 | -174.7 | 170.1 | 0 | 112.2 | A2067 A2068 R2073 Y2074 V2075 Y2218 | A2067-K2071 VanDerWaalsContact O-CG 3.32Å; A2067-K2071 WeakPolarHBondContact O-CG 3.32Å; A2067-K2071 PolarHBondContact O-N 2.86Å; A2067-K2071 VanDerWaalsContact O-N 3.12Å; A2068-K2071 PolarHBondContact O-N 3.14Å; K2071-R2073 VanDerWaalsContact C-N 3.33Å; K2071-R2073 PolarHBondContact O-N 2.88Å; K2071-Y2074 PolarHBondContact O-N 3.12Å; K2071-V2075 PolarHBondContact O-N 3.21Å; K2071-Y2218 HydrophobicContact CB-CD1 3.74Å; K2071-Y2218 HydrophobicContact CB-CD2 4.1Å; K2071-Y2218 HydrophobicContact CB-CE1 3.8Å; K2071-Y2218 HydrophobicContact CB-CE2 4.15Å; K2071-Y2218 HydrophobicContact CB-CG 3.92Å; K2071-Y2218 HydrophobicContact CD-CD1 4.24Å; K2071-Y2218 HydrophobicContact CD-CE1 3.74Å; K2071-Y2218 HydrophobicContact CG-CE1 4.32Å |
| 2072 | R | 96.5 | Very high | 87 | Confident | 22 Ų | 22 | 68.9 Ų | 68.9 | 8% | 0.083 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -57.8 | -44.7 | 172.8 | -172.7 | 178.9 | 65.9 | -165.1 | -5.2 | 111.4 | A2068 R2069 E2070 Y2074 V2075 L2076 Y2143 I2215 T2219 E2224 | A2068-R2072 WeakPolarHBondContact O-CB 3.47Å; A2068-R2072 PolarHBondContact O-N 3.01Å; R2069-R2072 WeakPolarHBondContact O-CB 3.26Å; R2069-R2072 PolarHBondContact O-N 3Å; E2070-R2072 PolarHBondContact O-N 2.92Å; R2072-Y2074 VanDerWaalsContact C-N 3.3Å; R2072-Y2074 PolarHBondContact O-N 3.19Å; R2072-V2075 PolarHBondContact O-N 2.78Å; R2072-V2075 VanDerWaalsContact O-N 3.15Å; R2072-L2076 HydrophobicContact CG-CD1 3.72Å; R2072-L2076 HydrophobicContact CG-CG 4.26Å; R2072-L2076 VanDerWaalsContact O-CG 3.31Å; R2072-L2076 WeakPolarHBondContact O-CG 3.42Å; R2072-L2076 PolarHBondContact O-N 2.93Å; R2072-Y2143 VanDerWaalsContact CZ-CD1 3.47Å; R2072-I2215 HydrophobicContact CG-CG2 4.32Å; R2072-T2219 WeakPolarHBondContact CD-OG1 3.4Å; R2072-T2219 PolarHBondContact NH1-OG1 3.46Å; R2072-E2224 IonicContact CZ-OE2 3.3Å; R2072-E2224 IonicContact NH1-OE2 2.57Å; R2072-E2224 PolarHBondContact NH1-OE2 2.98Å; R2072-E2224 IonicContact NH2-OE1 3.51Å; R2072-E2224 IonicContact NH2-OE2 3.61Å; R2072-E2224 PolarHBondContact NH2-OE2 2.88Å |
| 2073 | R | 91.8 | Very high | 89.3 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 40% | 0.396 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -56.6 | -40.8 | 177.7 | -171.7 | 175.6 | 64.1 | 74.5 | -3.8 | 112.2 | R2069 E2070 K2071 Q2077 | R2069-R2073 PolarHBondContact O-N 3Å; E2070-R2073 WeakPolarHBondContact O-CB 3.28Å; E2070-R2073 PolarHBondContact O-N 3.33Å; E2070-R2073 IonicContact OE1-CZ 2.75Å; E2070-R2073 IonicContact OE1-NE 3.76Å; E2070-R2073 IonicContact OE1-NH2 3.68Å; E2070-R2073 PolarHBondContact OE1-NH2 2.9Å; K2071-R2073 VanDerWaalsContact C-N 3.33Å; K2071-R2073 PolarHBondContact O-N 2.88Å; R2073-Q2077 WeakPolarHBondContact O-CB 3.33Å; R2073-Q2077 PolarHBondContact O-N 3.39Å |
| 2074 | Y | 95.1 | Very high | 90.8 | Very high | 131 Ų | 131 | 64 Ų | 64 | 51% | 0.514 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 175.5 | -67.5 | -61.2 | 0 | 0 | 0 | 113.4 | E2070 K2071 R2072 Q2077 E2078 | E2070-Y2074 HydrophobicContact CG-CD2 4.3Å; E2070-Y2074 HydrophobicContact CG-CE2 3.61Å; E2070-Y2074 WeakPolarHBondContact O-CD2 3.47Å; E2070-Y2074 PolarHBondContact O-N 2.88Å; K2071-Y2074 PolarHBondContact O-N 3.12Å; R2072-Y2074 VanDerWaalsContact C-N 3.3Å; R2072-Y2074 PolarHBondContact O-N 3.19Å; Y2074-Q2077 PolarHBondContact O-N 3.13Å; Y2074-E2078 PolarHBondContact O-N 3.03Å |
| 2075 | V | 96.4 | Very high | 92.2 | Very high | 17 Ų | 17 | 62 Ų | 62 | 10% | 0.103 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.2 | -34.6 | 178.5 | -171 | 0 | 0 | 0 | 0 | 111.8 | K2071 R2072 E2078 L2079 L2211 D2214 I2215 Y2218 | K2071-V2075 PolarHBondContact O-N 3.21Å; R2072-V2075 PolarHBondContact O-N 2.78Å; R2072-V2075 VanDerWaalsContact O-N 3.15Å; V2075-E2078 PolarHBondContact O-N 3.16Å; V2075-L2079 WeakPolarHBondContact O-CB 3.31Å; V2075-L2079 PolarHBondContact O-N 3Å; V2075-L2211 HydrophobicContact CG1-CD2 3.9Å; V2075-D2214 HydrophobicContact CG1-CB 4.34Å; V2075-D2214 HydrophobicContact CG2-CB 4.4Å; V2075-I2215 HydrophobicContact CB-CG1 4.04Å; V2075-I2215 HydrophobicContact CG1-CD1 4.22Å; V2075-I2215 HydrophobicContact CG1-CG1 3.67Å; V2075-Y2218 HydrophobicContact CG2-CD2 4.07Å; V2075-Y2218 HydrophobicContact CG2-CE2 3.98Å |
| 2076 | L | 96 | Very high | 93.1 | Very high | 7 Ų | 7 | 59.5 Ų | 59.5 | 4% | 0.037 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -40.1 | 171.5 | -67.8 | 164.3 | 0 | 0 | 0 | 111.3 | R2072 L2079 V2080 C2139 A2146 I2215 | R2072-L2076 HydrophobicContact CG-CD1 3.72Å; R2072-L2076 HydrophobicContact CG-CG 4.26Å; R2072-L2076 VanDerWaalsContact O-CG 3.31Å; R2072-L2076 WeakPolarHBondContact O-CG 3.42Å; R2072-L2076 PolarHBondContact O-N 2.93Å; L2076-L2079 WeakPolarHBondContact O-CB 3.48Å; L2076-L2079 PolarHBondContact O-N 3.3Å; L2076-V2080 WeakPolarHBondContact O-CG2 3.43Å; L2076-V2080 PolarHBondContact O-N 3.22Å; L2076-V2080 VanDerWaalsContact O-N 3.15Å; L2076-C2139 WeakPolarHBondContact CD1-O 3.24Å; L2076-C2139 HydrophobicContact CD2-CB 3.96Å; L2076-A2146 HydrophobicContact CD2-CB 4.28Å; L2076-I2215 HydrophobicContact CD2-CD1 3.81Å; L2076-I2215 HydrophobicContact CD2-CG1 4.16Å; L2076-I2215 HydrophobicContact CD2-CG2 4.18Å; L2076-I2215 HydrophobicContact CG-CD1 4.46Å; L2076-I2215 HydrophobicContact CG-CG1 4.41Å |
| 2077 | Q | 93.6 | Very high | 94.3 | Very high | 69 Ų | 69 | 55.2 Ų | 55.2 | 32% | 0.322 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.5 | -44.3 | 173.7 | -175.2 | 172.1 | -8.3 | 0 | 0 | 111.8 | R2073 Y2074 L2079 V2080 E2081 L2140 | R2073-Q2077 WeakPolarHBondContact O-CB 3.33Å; R2073-Q2077 PolarHBondContact O-N 3.39Å; Y2074-Q2077 PolarHBondContact O-N 3.13Å; Q2077-L2079 VanDerWaalsContact C-N 3.33Å; Q2077-L2079 PolarHBondContact O-N 3.46Å; Q2077-V2080 PolarHBondContact O-N 3.3Å; Q2077-E2081 HydrophobicContact CG-CG 4.28Å; Q2077-E2081 VanDerWaalsContact CG-OE1 3.32Å; Q2077-E2081 WeakPolarHBondContact CG-OE1 3.48Å; Q2077-E2081 PolarHBondContact NE2-OE1 3.17Å; Q2077-E2081 WeakPolarHBondContact O-CB 3.33Å; Q2077-E2081 WeakPolarHBondContact O-CG 3.35Å; Q2077-E2081 PolarHBondContact O-N 2.76Å; Q2077-L2140 HydrophobicContact CB-CD2 4.32Å |
| 2078 | E | 96.4 | Very high | 94.6 | Very high | 96 Ų | 96 | 60 Ų | 60 | 45% | 0.449 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 173.6 | -174.4 | -174.8 | 165.8 | 0 | 0 | 111.6 | Y2074 V2075 V2080 E2081 T2082 L2211 | Y2074-E2078 PolarHBondContact O-N 3.03Å; V2075-E2078 PolarHBondContact O-N 3.16Å; E2078-V2080 VanDerWaalsContact C-N 3.34Å; E2078-V2080 PolarHBondContact O-N 2.92Å; E2078-E2081 PolarHBondContact O-N 3.39Å; E2078-T2082 HydrophobicContact CG-CG2 3.94Å; E2078-T2082 VanDerWaalsContact O-CB 3.29Å; E2078-T2082 WeakPolarHBondContact O-CB 3.45Å; E2078-T2082 VanDerWaalsContact O-CG2 3.29Å; E2078-T2082 WeakPolarHBondContact O-CG2 3.36Å; E2078-T2082 PolarHBondContact O-N 3.22Å; E2078-T2082 PolarHBondContact O-OG1 2.9Å; E2078-L2211 HydrophobicContact CG-CD2 4.36Å |
| 2079 | L | 97.2 | Very high | 94.9 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -56.8 | -46.5 | 177.4 | 175.2 | 63.2 | 0 | 0 | 0 | 111.6 | V2075 L2076 Q2077 T2082 E2083 I2136 A2146 F2150 R2204 Y2208 L2211 I2215 | V2075-L2079 WeakPolarHBondContact O-CB 3.31Å; V2075-L2079 PolarHBondContact O-N 3Å; L2076-L2079 WeakPolarHBondContact O-CB 3.48Å; L2076-L2079 PolarHBondContact O-N 3.3Å; Q2077-L2079 VanDerWaalsContact C-N 3.33Å; Q2077-L2079 PolarHBondContact O-N 3.46Å; L2079-T2082 PolarHBondContact O-OG1 3.11Å; L2079-E2083 VanDerWaalsContact O-CB 3.28Å; L2079-E2083 WeakPolarHBondContact O-CB 3.41Å; L2079-E2083 PolarHBondContact O-N 2.8Å; L2079-E2083 VanDerWaalsContact O-N 3.13Å; L2079-I2136 HydrophobicContact CD2-CD1 4.46Å; L2079-I2136 HydrophobicContact CD2-CG2 4.31Å; L2079-I2136 HydrophobicContact CG-CG2 4.02Å; L2079-A2146 HydrophobicContact CD2-CB 4.27Å; L2079-F2150 HydrophobicContact CD1-CZ 4.5Å; L2079-F2150 HydrophobicContact CD2-CE2 4.48Å; L2079-R2204 PolarHBondContact O-NH2 3.19Å; L2079-R2204 VanDerWaalsContact O-NH2 3.15Å; L2079-Y2208 HydrophobicContact CD1-CD1 4.05Å; L2079-Y2208 HydrophobicContact CD1-CE1 4.18Å; L2079-L2211 HydrophobicContact CB-CD1 4.28Å; L2079-L2211 HydrophobicContact CD1-CD1 3.75Å; L2079-I2215 HydrophobicContact CD2-CD1 4.09Å |
| 2080 | V | 96.2 | Very high | 95.3 | Very high | 3 Ų | 3 | 58.3 Ų | 58.3 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -70.3 | -48 | 179.3 | 174 | 0 | 0 | 0 | 0 | 112.3 | L2076 Q2077 E2078 E2083 R2084 I2136 E2137 L2140 | L2076-V2080 WeakPolarHBondContact O-CG2 3.43Å; L2076-V2080 PolarHBondContact O-N 3.22Å; L2076-V2080 VanDerWaalsContact O-N 3.15Å; Q2077-V2080 PolarHBondContact O-N 3.3Å; E2078-V2080 VanDerWaalsContact C-N 3.34Å; E2078-V2080 PolarHBondContact O-N 2.92Å; V2080-E2083 WeakPolarHBondContact O-CB 3.5Å; V2080-E2083 PolarHBondContact O-N 3.13Å; V2080-R2084 PolarHBondContact O-N 2.99Å; V2080-R2084 VanDerWaalsContact O-N 3.09Å; V2080-I2136 HydrophobicContact CG2-CG2 3.97Å; V2080-E2137 HydrophobicContact CG1-CG 3.79Å; V2080-L2140 HydrophobicContact CB-CD2 4.5Å; V2080-L2140 HydrophobicContact CG1-CD1 4.45Å; V2080-L2140 HydrophobicContact CG2-CD1 4.47Å; V2080-L2140 HydrophobicContact CG2-CD2 4.01Å; V2080-L2140 HydrophobicContact CG2-CG 4.09Å |
| 2081 | E | 95.9 | Very high | 95.5 | Very high | 95 Ų | 95 | 54.2 Ų | 54.2 | 44% | 0.444 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -45.4 | -178.3 | -72.1 | 177 | 179.2 | 0 | 0 | 111.1 | Q2077 E2078 E2083 R2084 D2085 | Q2077-E2081 HydrophobicContact CG-CG 4.28Å; Q2077-E2081 VanDerWaalsContact CG-OE1 3.32Å; Q2077-E2081 WeakPolarHBondContact CG-OE1 3.48Å; Q2077-E2081 PolarHBondContact NE2-OE1 3.17Å; Q2077-E2081 WeakPolarHBondContact O-CB 3.33Å; Q2077-E2081 WeakPolarHBondContact O-CG 3.35Å; Q2077-E2081 PolarHBondContact O-N 2.76Å; E2078-E2081 PolarHBondContact O-N 3.39Å; E2081-E2083 VanDerWaalsContact C-N 3.26Å; E2081-E2083 PolarHBondContact O-N 3.21Å; E2081-R2084 PolarHBondContact O-N 2.87Å; E2081-D2085 PolarHBondContact O-N 2.96Å; E2081-D2085 VanDerWaalsContact O-N 3.11Å |
| 2082 | T | 96.6 | Very high | 95.5 | Very high | 43 Ų | 43 | 50.6 Ų | 50.6 | 26% | 0.264 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.8 | -15.2 | 176.8 | 64 | 0 | 0 | 0 | 0 | 113.8 | E2078 L2079 Y2086 R2204 | E2078-T2082 HydrophobicContact CG-CG2 3.94Å; E2078-T2082 VanDerWaalsContact O-CB 3.29Å; E2078-T2082 WeakPolarHBondContact O-CB 3.45Å; E2078-T2082 VanDerWaalsContact O-CG2 3.29Å; E2078-T2082 WeakPolarHBondContact O-CG2 3.36Å; E2078-T2082 PolarHBondContact O-N 3.22Å; E2078-T2082 PolarHBondContact O-OG1 2.9Å; L2079-T2082 PolarHBondContact O-OG1 3.11Å; T2082-Y2086 VanDerWaalsContact O-CB 3.29Å; T2082-Y2086 WeakPolarHBondContact O-CB 3.12Å; T2082-Y2086 PolarHBondContact O-N 3.42Å; T2082-R2204 VanDerWaalsContact CB-NH1 3.34Å; T2082-R2204 PolarHBondContact O-NH1 3.01Å; T2082-R2204 PolarHBondContact OG1-NH1 3.19Å; T2082-R2204 PolarHBondContact OG1-NH2 3.42Å |
| 2083 | E | 97 | Very high | 95.4 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.2 | -42.6 | 169.4 | -170.1 | 64.2 | -158.9 | 0 | 0 | 110.8 | L2079 V2080 E2081 Y2086 V2087 H2128 R2204 Y2208 | L2079-E2083 VanDerWaalsContact O-CB 3.28Å; L2079-E2083 WeakPolarHBondContact O-CB 3.41Å; L2079-E2083 PolarHBondContact O-N 2.8Å; L2079-E2083 VanDerWaalsContact O-N 3.13Å; V2080-E2083 WeakPolarHBondContact O-CB 3.5Å; V2080-E2083 PolarHBondContact O-N 3.13Å; E2081-E2083 VanDerWaalsContact C-N 3.26Å; E2081-E2083 PolarHBondContact O-N 3.21Å; E2083-Y2086 PolarHBondContact O-N 2.77Å; E2083-V2087 WeakPolarHBondContact O-CG2 3.47Å; E2083-V2087 PolarHBondContact O-N 2.97Å; E2083-H2128 IonicContact OE1-CE1 2.96Å; E2083-H2128 IonicContact OE1-CG 3.72Å; E2083-H2128 IonicContact OE1-ND1 3.57Å; E2083-H2128 PolarHBondContact OE1-ND1 3.48Å; E2083-R2204 VanDerWaalsContact CA-NH2 3.32Å; E2083-R2204 IonicContact OE2-CZ 3.18Å; E2083-R2204 VanDerWaalsContact OE2-CZ 3.22Å; E2083-R2204 IonicContact OE2-NE 2.69Å; E2083-R2204 PolarHBondContact OE2-NE 3.28Å; E2083-R2204 IonicContact OE2-NH2 3.24Å; E2083-R2204 PolarHBondContact OE2-NH2 2.99Å; E2083-Y2208 PolarHBondContact OE1-OH 3.24Å; E2083-Y2208 WeakPolarHBondContact OE2-CE1 3.32Å; E2083-Y2208 PolarHBondContact OE2-OH 2.94Å |
| 2084 | R | 94.7 | Very high | 95.5 | Very high | 129 Ų | 129 | 45.3 Ų | 45.3 | 49% | 0.487 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.7 | -43.8 | 175.5 | -70 | 170.2 | 170 | 172.7 | -3.2 | 111.9 | V2080 E2081 V2087 K2088 E2137 | V2080-R2084 PolarHBondContact O-N 2.99Å; V2080-R2084 VanDerWaalsContact O-N 3.09Å; E2081-R2084 PolarHBondContact O-N 2.87Å; R2084-V2087 PolarHBondContact O-N 3.16Å; R2084-K2088 WeakPolarHBondContact O-CB 3.43Å; R2084-K2088 PolarHBondContact O-N 2.94Å; R2084-E2137 IonicContact CZ-OE1 2.71Å; R2084-E2137 IonicContact NE-OE1 3.25Å; R2084-E2137 PolarHBondContact NE-OE1 3.45Å; R2084-E2137 IonicContact NH2-OE1 3.07Å; R2084-E2137 PolarHBondContact NH2-OE1 3.46Å |
| 2085 | D | 93.8 | Very high | 95.3 | Very high | 91 Ų | 91 | 44.7 Ų | 44.7 | 49% | 0.487 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -65.2 | -38.8 | 173.9 | -84.9 | -27.3 | 0 | 0 | 0 | 112.2 | E2081 K2088 D2089 | E2081-D2085 PolarHBondContact O-N 2.96Å; E2081-D2085 VanDerWaalsContact O-N 3.11Å; D2085-K2088 WeakPolarHBondContact O-CB 3.19Å; D2085-K2088 PolarHBondContact O-N 3.37Å; D2085-D2089 PolarHBondContact O-N 3.35Å |
| 2086 | Y | 97.6 | Very high | 95 | Very high | 9 Ų | 9 | 44.1 Ų | 44.1 | 4% | 0.035 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 175.1 | 175.2 | -120 | 0 | 0 | 0 | 112.6 | T2082 E2083 K2088 D2089 L2090 H2128 Y2160 K2200 P2201 R2204 | T2082-Y2086 VanDerWaalsContact O-CB 3.29Å; T2082-Y2086 WeakPolarHBondContact O-CB 3.12Å; T2082-Y2086 PolarHBondContact O-N 3.42Å; E2083-Y2086 PolarHBondContact O-N 2.77Å; Y2086-K2088 VanDerWaalsContact C-N 3.31Å; Y2086-K2088 PolarHBondContact O-N 3.26Å; Y2086-D2089 WeakPolarHBondContact O-CB 3.4Å; Y2086-D2089 PolarHBondContact O-N 3.26Å; Y2086-L2090 HydrophobicContact CD1-CD1 4.28Å; Y2086-L2090 HydrophobicContact CD2-CG 4.33Å; Y2086-L2090 HydrophobicContact CE1-CD1 3.73Å; Y2086-L2090 HydrophobicContact CE1-CG 4.43Å; Y2086-L2090 HydrophobicContact CE2-CD1 4.09Å; Y2086-L2090 HydrophobicContact CE2-CD2 4.03Å; Y2086-L2090 HydrophobicContact CE2-CG 3.92Å; Y2086-L2090 WeakPolarHBondContact O-CG 3.38Å; Y2086-L2090 PolarHBondContact O-N 2.97Å; Y2086-H2128 AromaticContact CE1-ND1 3.93Å; Y2086-Y2160 WeakPolarHBondContact CE1-OH 3.48Å; Y2086-Y2160 WeakPolarHBondContact OH-CE1 3.39Å; Y2086-Y2160 PolarHBondContact OH-OH 2.95Å; Y2086-K2200 HydrophobicContact CD2-CB 4.44Å; Y2086-K2200 HydrophobicContact CE2-CB 4.25Å; Y2086-P2201 WeakPolarHBondContact OH-CA 3.4Å; Y2086-P2201 WeakPolarHBondContact OH-CB 3.12Å; Y2086-R2204 HydrophobicContact CD1-CB 4.32Å; Y2086-R2204 HydrophobicContact CD1-CG 3.66Å; Y2086-R2204 HydrophobicContact CD2-CB 4.04Å; Y2086-R2204 HydrophobicContact CD2-CG 4.16Å; Y2086-R2204 HydrophobicContact CE1-CB 4.06Å; Y2086-R2204 HydrophobicContact CE1-CG 3.68Å; Y2086-R2204 HydrophobicContact CE2-CB 3.77Å; Y2086-R2204 HydrophobicContact CE2-CG 4.2Å; Y2086-R2204 HydrophobicContact CG-CB 4.3Å; Y2086-R2204 HydrophobicContact CG-CG 3.9Å |
| 2087 | V | 97 | Very high | 94.8 | Very high | 20 Ų | 20 | 43.8 Ų | 43.8 | 12% | 0.121 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.3 | -40 | 173.7 | 169.5 | 0 | 0 | 0 | 0 | 111.3 | E2083 R2084 L2090 G2091 F2125 H2128 K2129 | E2083-V2087 WeakPolarHBondContact O-CG2 3.47Å; E2083-V2087 PolarHBondContact O-N 2.97Å; R2084-V2087 PolarHBondContact O-N 3.16Å; V2087-L2090 PolarHBondContact O-N 3.31Å; V2087-G2091 PolarHBondContact O-N 2.87Å; V2087-F2125 HydrophobicContact CG1-CE2 4.1Å; V2087-F2125 WeakPolarHBondContact O-CE2 3.1Å; V2087-H2128 HydrophobicContact CG2-CB 3.92Å; V2087-K2129 HydrophobicContact CG1-CB 3.84Å; V2087-K2129 HydrophobicContact CG1-CG 4.03Å |
| 2088 | K | 94.1 | Very high | 94.6 | Very high | 143 Ų | 143 | 41.4 Ų | 41.4 | 62% | 0.622 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -67.7 | -39 | 177.4 | -177.6 | -173.8 | -180 | -175.3 | 0 | 113 | R2084 D2085 Y2086 G2091 S2092 | R2084-K2088 WeakPolarHBondContact O-CB 3.43Å; R2084-K2088 PolarHBondContact O-N 2.94Å; D2085-K2088 WeakPolarHBondContact O-CB 3.19Å; D2085-K2088 PolarHBondContact O-N 3.37Å; Y2086-K2088 VanDerWaalsContact C-N 3.31Å; Y2086-K2088 PolarHBondContact O-N 3.26Å; K2088-G2091 PolarHBondContact O-N 3.37Å; K2088-S2092 PolarHBondContact O-N 2.98Å; K2088-S2092 VanDerWaalsContact O-N 3.07Å; K2088-S2092 PolarHBondContact O-OG 3.47Å |
| 2089 | D | 95.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 21% | 0.214 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 171.1 | -85.7 | -47.1 | 0 | 0 | 0 | 111.6 | D2085 Y2086 G2091 S2092 I2093 K2200 | D2085-D2089 PolarHBondContact O-N 3.35Å; Y2086-D2089 WeakPolarHBondContact O-CB 3.4Å; Y2086-D2089 PolarHBondContact O-N 3.26Å; D2089-G2091 VanDerWaalsContact C-N 3.35Å; D2089-G2091 PolarHBondContact O-N 3.16Å; D2089-S2092 WeakPolarHBondContact O-CB 3.31Å; D2089-S2092 PolarHBondContact O-N 3.39Å; D2089-I2093 PolarHBondContact O-N 2.97Å; D2089-K2200 HydrophobicContact CB-CD 3.51Å; D2089-K2200 VanDerWaalsContact CG-CD 3.41Å; D2089-K2200 WeakPolarHBondContact OD1-CE 3.38Å; D2089-K2200 IonicContact OD1-NZ 3.39Å; D2089-K2200 PolarHBondContact OD1-NZ 3.31Å; D2089-K2200 WeakPolarHBondContact OD2-CD 3.45Å; D2089-K2200 WeakPolarHBondContact OD2-CE 3.5Å; D2089-K2200 IonicContact OD2-NZ 2.9Å; D2089-K2200 PolarHBondContact OD2-NZ 3.17Å |
| 2090 | L | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.5 | -40.5 | 175.4 | -71.4 | -179.3 | 0 | 0 | 0 | 112.1 | Y2086 V2087 S2092 I2093 V2094 I2121 I2124 F2125 P2201 | Y2086-L2090 HydrophobicContact CD1-CD1 4.28Å; Y2086-L2090 HydrophobicContact CD2-CG 4.33Å; Y2086-L2090 HydrophobicContact CE1-CD1 3.73Å; Y2086-L2090 HydrophobicContact CE1-CG 4.43Å; Y2086-L2090 HydrophobicContact CE2-CD1 4.09Å; Y2086-L2090 HydrophobicContact CE2-CD2 4.03Å; Y2086-L2090 HydrophobicContact CE2-CG 3.92Å; Y2086-L2090 WeakPolarHBondContact O-CG 3.38Å; Y2086-L2090 PolarHBondContact O-N 2.97Å; V2087-L2090 PolarHBondContact O-N 3.31Å; L2090-S2092 VanDerWaalsContact C-N 3.27Å; L2090-S2092 PolarHBondContact O-N 3.37Å; L2090-I2093 HydrophobicContact CD2-CD1 4.49Å; L2090-I2093 WeakPolarHBondContact O-CA 3.46Å; L2090-I2093 WeakPolarHBondContact O-CB 3.35Å; L2090-I2093 PolarHBondContact O-N 3.21Å; L2090-V2094 PolarHBondContact O-N 3Å; L2090-I2121 HydrophobicContact CD2-CD1 3.94Å; L2090-I2121 HydrophobicContact CD2-CG1 3.86Å; L2090-I2124 HydrophobicContact CD1-CG2 3.97Å; L2090-F2125 HydrophobicContact CB-CB 4.1Å; L2090-F2125 HydrophobicContact CB-CD2 3.56Å; L2090-F2125 HydrophobicContact CB-CE2 4.36Å; L2090-F2125 HydrophobicContact CB-CG 4.18Å; L2090-F2125 HydrophobicContact CD1-CB 4.34Å; L2090-P2201 HydrophobicContact CD2-CG 4.06Å |
| 2091 | G | 94.2 | Very high | 93 | Very high | 6 Ų | 6 | 40.8 Ų | 40.8 | 6% | 0.062 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.1 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | V2087 K2088 D2089 I2093 V2094 E2095 G2096 F2125 | V2087-G2091 PolarHBondContact O-N 2.87Å; K2088-G2091 PolarHBondContact O-N 3.37Å; D2089-G2091 VanDerWaalsContact C-N 3.35Å; D2089-G2091 PolarHBondContact O-N 3.16Å; G2091-I2093 PolarHBondContact O-N 3.36Å; G2091-I2093 VanDerWaalsContact O-N 3.14Å; G2091-V2094 PolarHBondContact O-N 3.48Å; G2091-E2095 WeakPolarHBondContact O-CA 3.32Å; G2091-E2095 VanDerWaalsContact O-CB 3.31Å; G2091-E2095 WeakPolarHBondContact O-CB 3.45Å; G2091-E2095 PolarHBondContact O-N 2.77Å; G2091-G2096 PolarHBondContact O-N 3.19Å; G2091-F2125 VanDerWaalsContact CA-CZ 3.46Å |
| 2092 | S | 92.7 | Very high | 92.2 | Very high | 35 Ų | 35 | 42.1 Ų | 42.1 | 25% | 0.245 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -61.5 | -22.9 | 174.1 | -51.9 | 0 | 0 | 0 | 0 | 113 | K2088 D2089 L2090 G2096 Y2097 H2190 | K2088-S2092 PolarHBondContact O-N 2.98Å; K2088-S2092 VanDerWaalsContact O-N 3.07Å; K2088-S2092 PolarHBondContact O-OG 3.47Å; D2089-S2092 WeakPolarHBondContact O-CB 3.31Å; D2089-S2092 PolarHBondContact O-N 3.39Å; L2090-S2092 VanDerWaalsContact C-N 3.27Å; L2090-S2092 PolarHBondContact O-N 3.37Å; S2092-G2096 WeakPolarHBondContact O-CA 3.29Å; S2092-Y2097 WeakPolarHBondContact O-CD2 3.45Å; S2092-Y2097 PolarHBondContact O-N 3.28Å; S2092-H2190 PolarHBondContact O-NE2 3Å |
| 2093 | I | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | I | π-helix | trans | -86.2 | -48.7 | 174.5 | -52.3 | 168 | 0 | 0 | 0 | 110.7 | D2089 L2090 G2091 Y2097 I2098 F2118 I2121 L2194 L2197 L2198 | D2089-I2093 PolarHBondContact O-N 2.97Å; L2090-I2093 HydrophobicContact CD2-CD1 4.49Å; L2090-I2093 WeakPolarHBondContact O-CA 3.46Å; L2090-I2093 WeakPolarHBondContact O-CB 3.35Å; L2090-I2093 PolarHBondContact O-N 3.21Å; G2091-I2093 PolarHBondContact O-N 3.36Å; G2091-I2093 VanDerWaalsContact O-N 3.14Å; I2093-Y2097 WeakPolarHBondContact O-CA 3.4Å; I2093-Y2097 WeakPolarHBondContact O-CB 3.48Å; I2093-Y2097 PolarHBondContact O-N 2.8Å; I2093-Y2097 VanDerWaalsContact O-N 3.08Å; I2093-I2098 PolarHBondContact O-N 3.04Å; I2093-F2118 HydrophobicContact CG2-CD1 3.75Å; I2093-F2118 HydrophobicContact CG2-CE1 3.85Å; I2093-I2121 HydrophobicContact CD1-CD1 3.42Å; I2093-I2121 VanDerWaalsContact CD1-CD1 3.42Å; I2093-I2121 HydrophobicContact CG2-CD1 4.27Å; I2093-I2121 HydrophobicContact CG2-CG2 4.3Å; I2093-L2194 HydrophobicContact CG2-CD1 4.38Å; I2093-L2197 HydrophobicContact CD1-CB 3.83Å; I2093-L2197 HydrophobicContact CG1-CB 3.79Å; I2093-L2197 HydrophobicContact CG1-CD1 4.45Å; I2093-L2197 HydrophobicContact CG1-CD2 4.21Å; I2093-L2197 HydrophobicContact CG1-CG 4.39Å; I2093-L2198 HydrophobicContact CG2-CD2 4.49Å |
| 2094 | V | 94.2 | Very high | 90.3 | Very high | 16 Ų | 16 | 47.7 Ų | 47.7 | 10% | 0.097 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -80.3 | -54.3 | -173 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | L2090 G2091 G2096 I2098 A2099 I2121 Q2122 F2125 | L2090-V2094 PolarHBondContact O-N 3Å; G2091-V2094 PolarHBondContact O-N 3.48Å; V2094-G2096 VanDerWaalsContact C-N 3.3Å; V2094-I2098 HydrophobicContact CG2-CD1 4.28Å; V2094-A2099 PolarHBondContact O-N 3.16Å; V2094-A2099 VanDerWaalsContact O-N 3.16Å; V2094-I2121 HydrophobicContact CG2-CG2 4.42Å; V2094-Q2122 HydrophobicContact CG1-CB 4.38Å; V2094-Q2122 HydrophobicContact CG1-CG 4.06Å; V2094-Q2122 HydrophobicContact CG2-CB 4.31Å; V2094-F2125 HydrophobicContact CB-CD1 3.76Å; V2094-F2125 HydrophobicContact CB-CE1 4.11Å; V2094-F2125 HydrophobicContact CB-CG 4.38Å; V2094-F2125 HydrophobicContact CG1-CD1 3.89Å; V2094-F2125 HydrophobicContact CG1-CE1 4.25Å; V2094-F2125 HydrophobicContact CG2-CB 3.87Å; V2094-F2125 HydrophobicContact CG2-CD1 3.84Å; V2094-F2125 HydrophobicContact CG2-CG 4.03Å |
| 2095 | E | 91.2 | Very high | 88.7 | Confident | 117 Ų | 117 | 50.8 Ų | 50.8 | 55% | 0.547 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -79.7 | -16.2 | -179 | -53.6 | 175.1 | 154.6 | 0 | 0 | 111.6 | G2091 F2125 K2129 | G2091-E2095 WeakPolarHBondContact O-CA 3.32Å; G2091-E2095 VanDerWaalsContact O-CB 3.31Å; G2091-E2095 WeakPolarHBondContact O-CB 3.45Å; G2091-E2095 PolarHBondContact O-N 2.77Å; E2095-F2125 VanDerWaalsContact CD-CZ 3.47Å; E2095-F2125 HydrophobicContact CG-CE1 3.78Å; E2095-F2125 HydrophobicContact CG-CZ 3.97Å; E2095-F2125 WeakPolarHBondContact OE1-CE1 3.39Å; E2095-F2125 WeakPolarHBondContact OE1-CZ 3.42Å; E2095-K2129 IonicContact OE1-NZ 3.99Å; E2095-K2129 PolarHBondContact OE1-NZ 2.84Å |
| 2096 | G | 89.7 | Confident | 87.3 | Confident | 5 Ų | 5 | 48 Ų | 48 | 5% | 0.052 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -96.9 | -88.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113 | G2091 S2092 V2094 T2100 | G2091-G2096 PolarHBondContact O-N 3.19Å; S2092-G2096 WeakPolarHBondContact O-CA 3.29Å; V2094-G2096 VanDerWaalsContact C-N 3.3Å; G2096-T2100 WeakPolarHBondContact O-CB 3.27Å; G2096-T2100 PolarHBondContact O-N 3.37Å; G2096-T2100 PolarHBondContact O-OG1 3.43Å |
| 2097 | Y | 90.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 28% | 0.276 | C | S | . | . | I | π-helix | trans | -60.6 | -49.2 | -171 | -78 | -90.3 | 0 | 0 | 0 | 114.4 | S2092 I2093 T2100 I2101 I2184 R2185 L2188 H2190 L2194 L2197 | S2092-Y2097 WeakPolarHBondContact O-CD2 3.45Å; S2092-Y2097 PolarHBondContact O-N 3.28Å; I2093-Y2097 WeakPolarHBondContact O-CA 3.4Å; I2093-Y2097 WeakPolarHBondContact O-CB 3.48Å; I2093-Y2097 PolarHBondContact O-N 2.8Å; I2093-Y2097 VanDerWaalsContact O-N 3.08Å; Y2097-T2100 PolarHBondContact O-N 3.16Å; Y2097-I2101 WeakPolarHBondContact O-CD1 3.32Å; Y2097-I2101 VanDerWaalsContact O-CG1 3.29Å; Y2097-I2101 WeakPolarHBondContact O-CG1 3.25Å; Y2097-I2101 PolarHBondContact O-N 3.27Å; Y2097-I2184 HydrophobicContact CD1-CB 4.32Å; Y2097-I2184 HydrophobicContact CD1-CG2 3.56Å; Y2097-I2184 HydrophobicContact CE1-CB 4.3Å; Y2097-I2184 HydrophobicContact CE1-CG2 3.9Å; Y2097-I2184 HydrophobicContact CG-CG2 4.39Å; Y2097-R2185 HydrophobicContact CE1-CB 4.46Å; Y2097-R2185 VanDerWaalsContact OH-CB 3.28Å; Y2097-R2185 WeakPolarHBondContact OH-CB 3.33Å; Y2097-L2188 HydrophobicContact CD2-CD1 4.32Å; Y2097-L2188 HydrophobicContact CG-CD1 4.27Å; Y2097-H2190 AromaticContact CE2-CD2 3.77Å; Y2097-L2194 HydrophobicContact CD1-CD1 4.29Å; Y2097-L2194 HydrophobicContact CD1-CD2 4.25Å; Y2097-L2194 HydrophobicContact CD2-CD1 4.06Å; Y2097-L2194 HydrophobicContact CE1-CB 3.98Å; Y2097-L2194 HydrophobicContact CE1-CD1 4.46Å; Y2097-L2194 HydrophobicContact CE1-CD2 4.39Å; Y2097-L2194 HydrophobicContact CE2-CB 4.45Å; Y2097-L2194 HydrophobicContact CE2-CD1 4.22Å; Y2097-L2194 HydrophobicContact CG-CD1 4.08Å; Y2097-L2194 PolarHBondContact OH-N 3.05Å; Y2097-L2197 HydrophobicContact CD2-CD1 4.26Å; Y2097-L2197 HydrophobicContact CE2-CD1 3.54Å |
| 2098 | I | 89.1 | Confident | 83.9 | Confident | 20 Ų | 20 | 56 Ų | 56 | 10% | 0.103 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -65.1 | -52.9 | -176.9 | -61.7 | 177.4 | 0 | 0 | 0 | 109.7 | I2093 V2094 T2100 I2101 D2102 F2118 I2121 | I2093-I2098 PolarHBondContact O-N 3.04Å; V2094-I2098 HydrophobicContact CG2-CD1 4.28Å; I2098-T2100 PolarHBondContact O-N 2.88Å; I2098-I2101 PolarHBondContact O-N 2.99Å; I2098-D2102 WeakPolarHBondContact CG2-OD2 3.25Å; I2098-D2102 PolarHBondContact O-N 2.86Å; I2098-F2118 HydrophobicContact CD1-CB 3.84Å; I2098-F2118 HydrophobicContact CD1-CD1 3.87Å; I2098-F2118 HydrophobicContact CD1-CD2 4.29Å; I2098-F2118 HydrophobicContact CD1-CG 3.73Å; I2098-F2118 HydrophobicContact CG1-CB 4.32Å; I2098-F2118 HydrophobicContact CG1-CD1 3.65Å; I2098-F2118 HydrophobicContact CG1-CD2 3.84Å; I2098-F2118 HydrophobicContact CG1-CE1 3.85Å; I2098-F2118 HydrophobicContact CG1-CE2 4.04Å; I2098-F2118 HydrophobicContact CG1-CG 3.65Å; I2098-F2118 HydrophobicContact CG1-CZ 4.05Å; I2098-I2121 HydrophobicContact CD1-CG2 4.11Å |
| 2099 | A | 86.9 | Confident | 82.5 | Confident | 51 Ų | 51 | 53.3 Ų | 53.3 | 42% | 0.421 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -55.1 | -36.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V2094 S2103 | V2094-A2099 PolarHBondContact O-N 3.16Å; V2094-A2099 VanDerWaalsContact O-N 3.16Å; A2099-S2103 WeakPolarHBondContact O-CB 3.42Å; A2099-S2103 PolarHBondContact O-N 3.32Å; A2099-S2103 PolarHBondContact O-OG 3.09Å |
| 2100 | T | 85 | Confident | 80.8 | Confident | 30 Ų | 30 | 53.2 Ų | 53.2 | 18% | 0.184 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -69.6 | -38.6 | 175.4 | -55.4 | 0 | 0 | 0 | 0 | 112.2 | G2096 Y2097 I2098 S2103 M2104 I2184 | G2096-T2100 WeakPolarHBondContact O-CB 3.27Å; G2096-T2100 PolarHBondContact O-N 3.37Å; G2096-T2100 PolarHBondContact O-OG1 3.43Å; Y2097-T2100 PolarHBondContact O-N 3.16Å; I2098-T2100 PolarHBondContact O-N 2.88Å; T2100-S2103 PolarHBondContact O-N 2.98Å; T2100-S2103 PolarHBondContact O-OG 3.2Å; T2100-M2104 PolarHBondContact O-N 3.11Å; T2100-I2184 HydrophobicContact CG2-CG2 4.02Å |
| 2101 | I | 84.5 | Confident | 79.3 | Confident | 7 Ų | 7 | 59.1 Ų | 59.1 | 4% | 0.036 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -71 | -42.4 | 179 | -71.9 | 164.7 | 0 | 0 | 0 | 110.9 | Y2097 I2098 S2103 M2104 L2106 F2118 F2181 I2184 | Y2097-I2101 WeakPolarHBondContact O-CD1 3.32Å; Y2097-I2101 VanDerWaalsContact O-CG1 3.29Å; Y2097-I2101 WeakPolarHBondContact O-CG1 3.25Å; Y2097-I2101 PolarHBondContact O-N 3.27Å; I2098-I2101 PolarHBondContact O-N 2.99Å; I2101-S2103 PolarHBondContact O-N 3.49Å; I2101-M2104 PolarHBondContact O-N 3.06Å; I2101-M2104 VanDerWaalsContact O-O 3.04Å; I2101-L2106 HydrophobicContact CG2-CD1 3.93Å; I2101-L2106 HydrophobicContact CG2-CD2 4.09Å; I2101-L2106 HydrophobicContact CG2-CG 4.23Å; I2101-F2118 HydrophobicContact CD1-CE2 3.67Å; I2101-F2118 HydrophobicContact CD1-CZ 3.62Å; I2101-F2181 HydrophobicContact CD1-CE1 3.9Å; I2101-I2184 HydrophobicContact CD1-CD1 4.19Å; I2101-I2184 HydrophobicContact CG1-CD1 3.79Å |
| 2102 | D | 80.1 | Confident | 78 | Confident | 123 Ų | 123 | 60.8 Ų | 60.8 | 66% | 0.658 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -64.3 | -23.6 | 175.1 | -67.8 | -24.9 | 0 | 0 | 0 | 112.2 | I2098 | I2098-D2102 WeakPolarHBondContact CG2-OD2 3.25Å; I2098-D2102 PolarHBondContact O-N 2.86Å |
| 2103 | S | 77.9 | Confident | 77.1 | Confident | 96 Ų | 96 | 62.9 Ų | 62.9 | 67% | 0.671 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.6 | -2.7 | 174 | 78.7 | 0 | 0 | 0 | 0 | 115.1 | A2099 T2100 I2101 | A2099-S2103 WeakPolarHBondContact O-CB 3.42Å; A2099-S2103 PolarHBondContact O-N 3.32Å; A2099-S2103 PolarHBondContact O-OG 3.09Å; T2100-S2103 PolarHBondContact O-N 2.98Å; T2100-S2103 PolarHBondContact O-OG 3.2Å; I2101-S2103 PolarHBondContact O-N 3.49Å |
| 2104 | M | 75.2 | Confident | 76.2 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 31% | 0.31 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -128 | 135 | -170.9 | -169.9 | 174.1 | 66.9 | 0 | 0 | 111.8 | T2100 I2101 L2106 F2180 I2184 | T2100-M2104 PolarHBondContact O-N 3.11Å; I2101-M2104 PolarHBondContact O-N 3.06Å; I2101-M2104 VanDerWaalsContact O-O 3.04Å; M2104-L2106 PolarHBondContact O-N 3.45Å; M2104-F2180 HydrophobicContact CE-CE2 3.42Å; M2104-F2180 VanDerWaalsContact CE-CE2 3.42Å; M2104-F2180 HydrophobicContact CE-CZ 3.5Å; M2104-F2180 VanDerWaalsContact CE-CZ 3.5Å; M2104-I2184 HydrophobicContact CE-CD1 4.22Å |
| 2105 | E | 62.1 | Low | 75.5 | Confident | 194 Ų | 194 | 73.3 Ų | 73.3 | 91% | 0.907 | 38% | 0.376 | S | S | * | . | trans | -65.4 | 111.5 | 178.9 | -65.5 | -170 | 139.1 | 0 | 0 | 111.3 | ||||
| 2106 | L | 64 | Low | 75.1 | Confident | 33 Ų | 33 | 71 Ų | 71 | 17% | 0.173 | 37% | 0.367 | C | S | . | . | trans | -77.9 | 132.4 | 177.7 | -76.9 | 175.7 | 0 | 0 | 0 | 111.5 | I2101 M2104 F2180 | I2101-L2106 HydrophobicContact CG2-CD1 3.93Å; I2101-L2106 HydrophobicContact CG2-CD2 4.09Å; I2101-L2106 HydrophobicContact CG2-CG 4.23Å; M2104-L2106 PolarHBondContact O-N 3.45Å; L2106-F2180 HydrophobicContact CD2-CE1 4.47Å; L2106-F2180 HydrophobicContact CD2-CZ 3.75Å | ||
| 2107 | P | 64.3 | Low | 74.9 | Confident | 57 Ų | 57 | 71 Ų | 71 | 37% | 0.37 | 37% | 0.366 | S | S | . | . | trans | -52.3 | 145.1 | 166 | -30.6 | 38.3 | 0 | 0 | 0 | 113.7 | D2109 K2110 K2111 | P2107-D2109 WeakPolarHBondContact CB-OD1 3.46Å; P2107-D2109 PolarHBondContact O-N 2.99Å; P2107-D2109 VanDerWaalsContact O-N 3.17Å; P2107-K2110 PolarHBondContact O-N 2.96Å; P2107-K2111 PolarHBondContact O-N 3.39Å | ||
| 2108 | E | 58.1 | Low | 75 | Confident | 140 Ų | 140 | 71.7 Ų | 71.7 | 65% | 0.654 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -27.1 | -175.2 | -67.9 | -61.5 | 140.1 | 0 | 0 | 113.9 | K2110 K2111 | E2108-K2110 PolarHBondContact O-N 2.82Å; E2108-K2111 IonicContact OE1-NZ 2.8Å; E2108-K2111 PolarHBondContact OE1-NZ 2.87Å; E2108-K2111 WeakPolarHBondContact OE2-CD 3.44Å; E2108-K2111 IonicContact OE2-NZ 3.67Å |
| 2109 | D | 64.6 | Low | 75 | Confident | 87 Ų | 87 | 72.4 Ų | 72.4 | 47% | 0.465 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -18.2 | 175.1 | 63.1 | -63.5 | 0 | 0 | 0 | 113.5 | P2107 R2113 | P2107-D2109 WeakPolarHBondContact CB-OD1 3.46Å; P2107-D2109 PolarHBondContact O-N 2.99Å; P2107-D2109 VanDerWaalsContact O-N 3.17Å; D2109-R2113 PolarHBondContact O-NE 2.88Å; D2109-R2113 PolarHBondContact O-NH2 3.13Å |
| 2110 | K | 61.4 | Low | 75.3 | Confident | 37 Ų | 37 | 71 Ų | 71 | 16% | 0.161 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.1 | -19.2 | -174 | -56.8 | -178.1 | -177.4 | 170.5 | 0 | 113.8 | P2107 E2108 G2112 R2113 | P2107-K2110 PolarHBondContact O-N 2.96Å; E2108-K2110 PolarHBondContact O-N 2.82Å; K2110-G2112 PolarHBondContact O-N 2.93Å; K2110-R2113 VanDerWaalsContact O-CB 3.27Å; K2110-R2113 WeakPolarHBondContact O-CB 3.48Å; K2110-R2113 PolarHBondContact O-N 3.11Å |
| 2111 | K | 64.3 | Low | 75.9 | Confident | 124 Ų | 124 | 69.5 Ų | 69.5 | 54% | 0.539 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 127.3 | 178.2 | -105.7 | 172.3 | -179.9 | 169.7 | 0 | 111.7 | P2107 E2108 R2113 | P2107-K2111 PolarHBondContact O-N 3.39Å; E2108-K2111 IonicContact OE1-NZ 2.8Å; E2108-K2111 PolarHBondContact OE1-NZ 2.87Å; E2108-K2111 WeakPolarHBondContact OE2-CD 3.44Å; E2108-K2111 IonicContact OE2-NZ 3.67Å; K2111-R2113 VanDerWaalsContact C-N 3.25Å; K2111-R2113 PolarHBondContact O-N 3.23Å |
| 2112 | G | 67.1 | Low | 76.3 | Confident | 41 Ų | 41 | 73.4 Ų | 73.4 | 42% | 0.423 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -15.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | K2110 E2114 | K2110-G2112 PolarHBondContact O-N 2.93Å; G2112-E2114 VanDerWaalsContact C-OE2 3.28Å; G2112-E2114 WeakPolarHBondContact CA-OE1 3.44Å; G2112-E2114 WeakPolarHBondContact CA-OE2 3.43Å; G2112-E2114 PolarHBondContact N-OE2 3.26Å |
| 2113 | R | 74 | Confident | 76.9 | Confident | 79 Ų | 79 | 73.2 Ų | 73.2 | 30% | 0.298 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -23.1 | 175.9 | -56.8 | -162.9 | -165.3 | -163.9 | 8.8 | 112 | D2109 K2110 K2111 R2115 I2116 V2117 L2173 E2176 | D2109-R2113 PolarHBondContact O-NE 2.88Å; D2109-R2113 PolarHBondContact O-NH2 3.13Å; K2110-R2113 VanDerWaalsContact O-CB 3.27Å; K2110-R2113 WeakPolarHBondContact O-CB 3.48Å; K2110-R2113 PolarHBondContact O-N 3.11Å; K2111-R2113 VanDerWaalsContact C-N 3.25Å; K2111-R2113 PolarHBondContact O-N 3.23Å; R2113-R2115 VanDerWaalsContact C-N 3.27Å; R2113-R2115 PolarHBondContact O-N 2.8Å; R2113-I2116 WeakPolarHBondContact O-CA 3.41Å; R2113-I2116 WeakPolarHBondContact O-CB 3.31Å; R2113-I2116 PolarHBondContact O-N 3.22Å; R2113-V2117 PolarHBondContact O-N 2.78Å; R2113-L2173 HydrophobicContact CB-CD1 4.46Å; R2113-E2176 IonicContact CZ-OE1 3.91Å; R2113-E2176 IonicContact NH1-OE1 3.24Å; R2113-E2176 PolarHBondContact NH1-OE1 3.47Å; R2113-E2176 IonicContact NH1-OE2 2.61Å; R2113-E2176 PolarHBondContact NH1-OE2 3.43Å; R2113-E2176 VanDerWaalsContact NH1-OE2 3.14Å |
| 2114 | E | 75 | Confident | 77.8 | Confident | 40 Ų | 40 | 68.7 Ų | 68.7 | 19% | 0.187 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -57.3 | -39.1 | -179.9 | 71.9 | -61.1 | 140.8 | 0 | 0 | 112.5 | G2112 I2116 V2117 F2118 | G2112-E2114 VanDerWaalsContact C-OE2 3.28Å; G2112-E2114 WeakPolarHBondContact CA-OE1 3.44Å; G2112-E2114 WeakPolarHBondContact CA-OE2 3.43Å; G2112-E2114 PolarHBondContact N-OE2 3.26Å; E2114-I2116 PolarHBondContact O-N 2.89Å; E2114-V2117 WeakPolarHBondContact O-CB 3.47Å; E2114-V2117 PolarHBondContact O-N 3.45Å; E2114-V2117 VanDerWaalsContact O-N 3.07Å; E2114-F2118 WeakPolarHBondContact O-CD2 3.34Å; E2114-F2118 PolarHBondContact O-N 3.34Å |
| 2115 | R | 79.4 | Confident | 78.9 | Confident | 195 Ų | 195 | 66.1 Ų | 66.1 | 74% | 0.736 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.5 | -29.9 | 173.9 | -67.3 | 161.5 | -162.9 | -132.6 | -3.5 | 113 | R2113 A2119 | R2113-R2115 VanDerWaalsContact C-N 3.27Å; R2113-R2115 PolarHBondContact O-N 2.8Å; R2115-A2119 WeakPolarHBondContact O-CA 3.44Å; R2115-A2119 PolarHBondContact O-N 3.03Å |
| 2116 | I | 83.3 | Confident | 80.4 | Confident | 70 Ų | 70 | 61 Ų | 61 | 36% | 0.359 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -83.8 | -29.9 | 176.8 | -47.7 | 176.5 | 0 | 0 | 0 | 110.6 | R2113 E2114 N2166 K2169 S2170 L2173 | R2113-I2116 WeakPolarHBondContact O-CA 3.41Å; R2113-I2116 WeakPolarHBondContact O-CB 3.31Å; R2113-I2116 PolarHBondContact O-N 3.22Å; E2114-I2116 PolarHBondContact O-N 2.89Å; I2116-N2166 PolarHBondContact O-ND2 3.5Å; I2116-K2169 HydrophobicContact CG2-CB 3.85Å; I2116-K2169 HydrophobicContact CG2-CD 4.38Å; I2116-S2170 PolarHBondContact O-OG 3.1Å; I2116-S2170 VanDerWaalsContact O-OG 3.11Å; I2116-L2173 HydrophobicContact CB-CD1 3.62Å; I2116-L2173 HydrophobicContact CG2-CD1 3.57Å |
| 2117 | V | 86.4 | Confident | 82 | Confident | 5 Ų | 5 | 59.6 Ų | 59.6 | 3% | 0.03 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.4 | -53.6 | 172.8 | 174.5 | 0 | 0 | 0 | 0 | 110.5 | R2113 E2114 S2170 L2173 V2174 F2181 L2194 | R2113-V2117 PolarHBondContact O-N 2.78Å; E2114-V2117 WeakPolarHBondContact O-CB 3.47Å; E2114-V2117 PolarHBondContact O-N 3.45Å; E2114-V2117 VanDerWaalsContact O-N 3.07Å; V2117-S2170 WeakPolarHBondContact O-CB 3.33Å; V2117-S2170 PolarHBondContact O-OG 2.78Å; V2117-L2173 HydrophobicContact CG2-CB 3.9Å; V2117-L2173 HydrophobicContact CG2-CD1 4.21Å; V2117-V2174 HydrophobicContact CG1-CG2 3.84Å; V2117-F2181 HydrophobicContact CG1-CE1 4.45Å; V2117-F2181 HydrophobicContact CG1-CZ 4.14Å; V2117-F2181 HydrophobicContact CG2-CZ 4.24Å; V2117-L2194 HydrophobicContact CG1-CD2 4.29Å |
| 2118 | F | 92.5 | Very high | 83.6 | Confident | 13 Ų | 13 | 56.9 Ų | 56.9 | 6% | 0.057 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -93.6 | -13.3 | -171.7 | -60.9 | -73.4 | 0 | 0 | 0 | 115.3 | I2093 I2098 I2101 E2114 N2120 I2121 L2194 L2198 | I2093-F2118 HydrophobicContact CG2-CD1 3.75Å; I2093-F2118 HydrophobicContact CG2-CE1 3.85Å; I2098-F2118 HydrophobicContact CD1-CB 3.84Å; I2098-F2118 HydrophobicContact CD1-CD1 3.87Å; I2098-F2118 HydrophobicContact CD1-CD2 4.29Å; I2098-F2118 HydrophobicContact CD1-CG 3.73Å; I2098-F2118 HydrophobicContact CG1-CB 4.32Å; I2098-F2118 HydrophobicContact CG1-CD1 3.65Å; I2098-F2118 HydrophobicContact CG1-CD2 3.84Å; I2098-F2118 HydrophobicContact CG1-CE1 3.85Å; I2098-F2118 HydrophobicContact CG1-CE2 4.04Å; I2098-F2118 HydrophobicContact CG1-CG 3.65Å; I2098-F2118 HydrophobicContact CG1-CZ 4.05Å; I2101-F2118 HydrophobicContact CD1-CE2 3.67Å; I2101-F2118 HydrophobicContact CD1-CZ 3.62Å; E2114-F2118 WeakPolarHBondContact O-CD2 3.34Å; E2114-F2118 PolarHBondContact O-N 3.34Å; F2118-N2120 PolarHBondContact O-N 3.06Å; F2118-I2121 HydrophobicContact CB-CG2 4.09Å; F2118-I2121 VanDerWaalsContact O-CB 3.32Å; F2118-I2121 WeakPolarHBondContact O-CB 3.04Å; F2118-I2121 VanDerWaalsContact O-CG2 3.25Å; F2118-I2121 WeakPolarHBondContact O-CG2 3.39Å; F2118-I2121 PolarHBondContact O-N 3.21Å; F2118-I2121 VanDerWaalsContact O-N 3.14Å; F2118-L2194 HydrophobicContact CE1-CD1 3.94Å; F2118-L2194 HydrophobicContact CE1-CD2 4.19Å; F2118-L2194 HydrophobicContact CZ-CD2 4.25Å; F2118-L2198 HydrophobicContact CD1-CD2 4.37Å |
| 2119 | A | 89.7 | Confident | 85.4 | Confident | 36 Ų | 36 | 54.1 Ų | 54.1 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | -131.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112 | R2115 Y2163 N2166 | R2115-A2119 WeakPolarHBondContact O-CA 3.44Å; R2115-A2119 PolarHBondContact O-N 3.03Å; A2119-Y2163 HydrophobicContact CB-CD2 3.99Å; A2119-Y2163 HydrophobicContact CB-CE2 4.24Å; A2119-N2166 HydrophobicContact CB-CB 3.96Å |
| 2120 | N | 93 | Very high | 86.6 | Confident | 20 Ų | 20 | 54 Ų | 54 | 11% | 0.107 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 21.8 | 176.9 | 65.3 | -42.2 | 0 | 0 | 0 | 113.7 | F2118 Q2122 Q2123 I2124 M2159 Y2163 | F2118-N2120 PolarHBondContact O-N 3.06Å; N2120-Q2122 PolarHBondContact O-N 3.06Å; N2120-Q2122 VanDerWaalsContact O-N 3.16Å; N2120-Q2123 WeakPolarHBondContact O-CB 3.47Å; N2120-Q2123 PolarHBondContact O-N 3.27Å; N2120-I2124 PolarHBondContact O-N 2.87Å; N2120-M2159 PolarHBondContact ND2-O 3Å; N2120-Y2163 WeakPolarHBondContact OD1-CA 3.36Å; N2120-Y2163 WeakPolarHBondContact OD1-CB 3.31Å; N2120-Y2163 PolarHBondContact OD1-N 3.37Å |
| 2121 | I | 96.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.8 | -30 | -171.7 | -157.8 | 166.7 | 0 | 0 | 0 | 114 | L2090 I2093 V2094 I2098 F2118 Q2123 I2124 F2125 Y2163 L2198 P2201 | L2090-I2121 HydrophobicContact CD2-CD1 3.94Å; L2090-I2121 HydrophobicContact CD2-CG1 3.86Å; I2093-I2121 HydrophobicContact CD1-CD1 3.42Å; I2093-I2121 VanDerWaalsContact CD1-CD1 3.42Å; I2093-I2121 HydrophobicContact CG2-CD1 4.27Å; I2093-I2121 HydrophobicContact CG2-CG2 4.3Å; V2094-I2121 HydrophobicContact CG2-CG2 4.42Å; I2098-I2121 HydrophobicContact CD1-CG2 4.11Å; F2118-I2121 HydrophobicContact CB-CG2 4.09Å; F2118-I2121 VanDerWaalsContact O-CB 3.32Å; F2118-I2121 WeakPolarHBondContact O-CB 3.04Å; F2118-I2121 VanDerWaalsContact O-CG2 3.25Å; F2118-I2121 WeakPolarHBondContact O-CG2 3.39Å; F2118-I2121 PolarHBondContact O-N 3.21Å; F2118-I2121 VanDerWaalsContact O-N 3.14Å; I2121-Q2123 VanDerWaalsContact C-N 3.33Å; I2121-Q2123 PolarHBondContact O-N 3.4Å; I2121-I2124 WeakPolarHBondContact O-CB 3.1Å; I2121-I2124 PolarHBondContact O-N 3.1Å; I2121-I2124 VanDerWaalsContact O-N 3.17Å; I2121-F2125 PolarHBondContact O-N 3.01Å; I2121-Y2163 HydrophobicContact CB-CD2 4.34Å; I2121-Y2163 HydrophobicContact CB-CE2 3.85Å; I2121-Y2163 HydrophobicContact CD1-CE2 4Å; I2121-Y2163 HydrophobicContact CG1-CE2 4.1Å; I2121-L2198 HydrophobicContact CD1-CD2 4.18Å; I2121-P2201 HydrophobicContact CD1-CG 4.04Å; I2121-P2201 HydrophobicContact CG1-CG 4.39Å |
| 2122 | Q | 92.5 | Very high | 89.6 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 42% | 0.416 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.3 | -38.1 | 174.2 | 178.3 | 170.9 | -6.5 | 0 | 0 | 112.3 | V2094 N2120 I2124 F2125 E2126 | V2094-Q2122 HydrophobicContact CG1-CB 4.38Å; V2094-Q2122 HydrophobicContact CG1-CG 4.06Å; V2094-Q2122 HydrophobicContact CG2-CB 4.31Å; N2120-Q2122 PolarHBondContact O-N 3.06Å; N2120-Q2122 VanDerWaalsContact O-N 3.16Å; Q2122-I2124 VanDerWaalsContact C-N 3.3Å; Q2122-I2124 PolarHBondContact O-N 3.48Å; Q2122-F2125 PolarHBondContact O-N 3.2Å; Q2122-E2126 HydrophobicContact CG-CG 4.38Å; Q2122-E2126 WeakPolarHBondContact CG-OE1 3.46Å; Q2122-E2126 PolarHBondContact NE2-OE1 3.46Å; Q2122-E2126 WeakPolarHBondContact O-CB 3.4Å; Q2122-E2126 WeakPolarHBondContact O-CG 3.45Å; Q2122-E2126 PolarHBondContact O-N 3.45Å |
| 2123 | Q | 93.6 | Very high | 90.8 | Very high | 119 Ų | 119 | 47.5 Ų | 47.5 | 56% | 0.556 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -66.7 | -33.9 | 175.4 | -60.9 | 179.3 | -11.7 | 0 | 0 | 111.8 | N2120 I2121 F2127 | N2120-Q2123 WeakPolarHBondContact O-CB 3.47Å; N2120-Q2123 PolarHBondContact O-N 3.27Å; I2121-Q2123 VanDerWaalsContact C-N 3.33Å; I2121-Q2123 PolarHBondContact O-N 3.4Å; Q2123-F2127 VanDerWaalsContact O-CB 3.32Å; Q2123-F2127 WeakPolarHBondContact O-CB 3.45Å; Q2123-F2127 PolarHBondContact O-N 3.05Å; Q2123-F2127 VanDerWaalsContact O-N 3.12Å |
| 2124 | I | 97.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.1 | -50.7 | 172.8 | -53 | 178.9 | 0 | 0 | 0 | 109.3 | L2090 N2120 I2121 Q2122 E2126 F2127 H2128 M2159 Y2160 Y2163 P2201 | L2090-I2124 HydrophobicContact CD1-CG2 3.97Å; N2120-I2124 PolarHBondContact O-N 2.87Å; I2121-I2124 WeakPolarHBondContact O-CB 3.1Å; I2121-I2124 PolarHBondContact O-N 3.1Å; I2121-I2124 VanDerWaalsContact O-N 3.17Å; Q2122-I2124 VanDerWaalsContact C-N 3.3Å; Q2122-I2124 PolarHBondContact O-N 3.48Å; I2124-E2126 PolarHBondContact O-N 2.8Å; I2124-F2127 PolarHBondContact O-N 3.39Å; I2124-H2128 WeakPolarHBondContact O-CB 3.44Å; I2124-H2128 PolarHBondContact O-CD2 3.38Å; I2124-H2128 PolarHBondContact O-N 2.77Å; I2124-M2159 HydrophobicContact CB-SD 4.13Å; I2124-M2159 HydrophobicContact CG1-CG 4.09Å; I2124-M2159 HydrophobicContact CG1-SD 3.72Å; I2124-Y2160 HydrophobicContact CG2-CE1 4.28Å; I2124-Y2160 HydrophobicContact CG2-CE2 4.03Å; I2124-Y2160 WeakPolarHBondContact CG2-OH 3.24Å; I2124-Y2163 HydrophobicContact CD1-CD2 4.07Å; I2124-Y2163 HydrophobicContact CD1-CG 3.93Å; I2124-P2201 HydrophobicContact CD1-CB 4.27Å |
| 2125 | F | 97.4 | Very high | 92.2 | Very high | 9 Ų | 9 | 49 Ų | 49 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -57.2 | -50.9 | 178.6 | 177.8 | -126 | 0 | 0 | 0 | 112.8 | V2087 L2090 G2091 V2094 E2095 I2121 Q2122 F2127 H2128 K2129 | V2087-F2125 HydrophobicContact CG1-CE2 4.1Å; V2087-F2125 WeakPolarHBondContact O-CE2 3.1Å; L2090-F2125 HydrophobicContact CB-CB 4.1Å; L2090-F2125 HydrophobicContact CB-CD2 3.56Å; L2090-F2125 HydrophobicContact CB-CE2 4.36Å; L2090-F2125 HydrophobicContact CB-CG 4.18Å; L2090-F2125 HydrophobicContact CD1-CB 4.34Å; G2091-F2125 VanDerWaalsContact CA-CZ 3.46Å; V2094-F2125 HydrophobicContact CB-CD1 3.76Å; V2094-F2125 HydrophobicContact CB-CE1 4.11Å; V2094-F2125 HydrophobicContact CB-CG 4.38Å; V2094-F2125 HydrophobicContact CG1-CD1 3.89Å; V2094-F2125 HydrophobicContact CG1-CE1 4.25Å; V2094-F2125 HydrophobicContact CG2-CB 3.87Å; V2094-F2125 HydrophobicContact CG2-CD1 3.84Å; V2094-F2125 HydrophobicContact CG2-CG 4.03Å; E2095-F2125 VanDerWaalsContact CD-CZ 3.47Å; E2095-F2125 HydrophobicContact CG-CE1 3.78Å; E2095-F2125 HydrophobicContact CG-CZ 3.97Å; E2095-F2125 WeakPolarHBondContact OE1-CE1 3.39Å; E2095-F2125 WeakPolarHBondContact OE1-CZ 3.42Å; I2121-F2125 PolarHBondContact O-N 3.01Å; Q2122-F2125 PolarHBondContact O-N 3.2Å; F2125-F2127 PolarHBondContact O-N 2.67Å; F2125-H2128 PolarHBondContact O-N 3.44Å; F2125-K2129 HydrophobicContact CD2-CB 4.39Å; F2125-K2129 HydrophobicContact CE1-CD 4.07Å; F2125-K2129 HydrophobicContact CE2-CB 4.27Å; F2125-K2129 HydrophobicContact CE2-CD 3.9Å; F2125-K2129 HydrophobicContact CE2-CG 4.47Å; F2125-K2129 HydrophobicContact CZ-CD 3.59Å; F2125-K2129 WeakPolarHBondContact O-CB 3.39Å; F2125-K2129 PolarHBondContact O-N 3.05Å |
| 2126 | E | 95.1 | Very high | 92.8 | Very high | 86 Ų | 86 | 39.7 Ų | 39.7 | 40% | 0.402 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -62.2 | -40.2 | -179.5 | -72.6 | 169.8 | -169.5 | 0 | 0 | 112.3 | Q2122 I2124 N2130 | Q2122-E2126 HydrophobicContact CG-CG 4.38Å; Q2122-E2126 WeakPolarHBondContact CG-OE1 3.46Å; Q2122-E2126 PolarHBondContact NE2-OE1 3.46Å; Q2122-E2126 WeakPolarHBondContact O-CB 3.4Å; Q2122-E2126 WeakPolarHBondContact O-CG 3.45Å; Q2122-E2126 PolarHBondContact O-N 3.45Å; I2124-E2126 PolarHBondContact O-N 2.8Å; E2126-N2130 WeakPolarHBondContact O-CB 3.14Å; E2126-N2130 PolarHBondContact O-N 3.41Å; E2126-N2130 VanDerWaalsContact O-N 3.07Å; E2126-N2130 PolarHBondContact O-ND2 2.91Å |
| 2127 | F | 97 | Very high | 93.2 | Very high | 4 Ų | 4 | 39.3 Ų | 39.3 | 2% | 0.018 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -65.3 | -48.6 | 174.8 | 169.5 | -122.9 | 0 | 0 | 0 | 112 | Q2123 I2124 F2125 I2131 F2132 Y2153 R2156 L2157 M2159 | Q2123-F2127 VanDerWaalsContact O-CB 3.32Å; Q2123-F2127 WeakPolarHBondContact O-CB 3.45Å; Q2123-F2127 PolarHBondContact O-N 3.05Å; Q2123-F2127 VanDerWaalsContact O-N 3.12Å; I2124-F2127 PolarHBondContact O-N 3.39Å; F2125-F2127 PolarHBondContact O-N 2.67Å; F2127-I2131 HydrophobicContact CD2-CB 4.06Å; F2127-I2131 HydrophobicContact CD2-CD1 4.32Å; F2127-I2131 HydrophobicContact CD2-CG2 4.37Å; F2127-I2131 HydrophobicContact CE2-CB 4.26Å; F2127-I2131 HydrophobicContact CE2-CG2 4.12Å; F2127-I2131 WeakPolarHBondContact O-CB 3.39Å; F2127-I2131 PolarHBondContact O-N 3.07Å; F2127-I2131 VanDerWaalsContact O-N 3.09Å; F2127-F2132 HydrophobicContact CE1-CB 4.06Å; F2127-F2132 HydrophobicContact CE1-CD2 4.2Å; F2127-F2132 HydrophobicContact CE1-CG 4.18Å; F2127-F2132 HydrophobicContact CE2-CB 4.09Å; F2127-F2132 HydrophobicContact CE2-CD2 4.38Å; F2127-F2132 HydrophobicContact CZ-CB 3.8Å; F2127-F2132 AromaticContact CZ-CD2 3.61Å; F2127-F2132 HydrophobicContact CZ-CD2 3.61Å; F2127-F2132 HydrophobicContact CZ-CE2 4.47Å; F2127-F2132 AromaticContact CZ-CG 3.93Å; F2127-F2132 HydrophobicContact CZ-CG 3.93Å; F2127-F2132 PolarHBondContact O-N 3.13Å; F2127-Y2153 HydrophobicContact CE2-CD1 4.05Å; F2127-Y2153 HydrophobicContact CE2-CE1 4.49Å; F2127-Y2153 HydrophobicContact CE2-CG 4.14Å; F2127-Y2153 HydrophobicContact CZ-CD1 4.33Å; F2127-Y2153 HydrophobicContact CZ-CD2 4.5Å; F2127-Y2153 AromaticContact CZ-CG 4Å; F2127-Y2153 HydrophobicContact CZ-CG 4Å; F2127-R2156 HydrophobicContact CE1-CB 4.22Å; F2127-R2156 HydrophobicContact CE2-CB 4.18Å; F2127-R2156 HydrophobicContact CE2-CG 4.48Å; F2127-R2156 HydrophobicContact CZ-CB 4.01Å; F2127-L2157 HydrophobicContact CE1-CD2 4.2Å; F2127-M2159 HydrophobicContact CB-CE 3.87Å; F2127-M2159 HydrophobicContact CB-SD 4.41Å; F2127-M2159 HydrophobicContact CD1-CE 3.71Å; F2127-M2159 HydrophobicContact CD1-SD 4.13Å; F2127-M2159 HydrophobicContact CG-CE 3.88Å |
| 2128 | H | 97.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 21% | 0.213 | C | C | . | . | I | π-helix | trans | -69.4 | -45 | -176.5 | -78.7 | -94.8 | 0 | 0 | 0 | 112.1 | E2083 Y2086 V2087 I2124 F2125 F2132 S2133 Y2160 Y2208 | E2083-H2128 IonicContact OE1-CE1 2.96Å; E2083-H2128 IonicContact OE1-CG 3.72Å; E2083-H2128 IonicContact OE1-ND1 3.57Å; E2083-H2128 PolarHBondContact OE1-ND1 3.48Å; Y2086-H2128 AromaticContact CE1-ND1 3.93Å; V2087-H2128 HydrophobicContact CG2-CB 3.92Å; I2124-H2128 WeakPolarHBondContact O-CB 3.44Å; I2124-H2128 PolarHBondContact O-CD2 3.38Å; I2124-H2128 PolarHBondContact O-N 2.77Å; F2125-H2128 PolarHBondContact O-N 3.44Å; H2128-F2132 AromaticContact CE1-CD1 3.69Å; H2128-F2132 AromaticContact ND1-CD1 3.62Å; H2128-S2133 VanDerWaalsContact O-CB 3.26Å; H2128-S2133 WeakPolarHBondContact O-CB 3.44Å; H2128-S2133 PolarHBondContact O-N 3.47Å; H2128-Y2160 PolarHBondContact CD2-OH 2.72Å; H2128-Y2160 PolarHBondContact CE1-OH 2.81Å; H2128-Y2160 VanDerWaalsContact CE1-OH 3.27Å; H2128-Y2160 AromaticContact NE2-CE2 3.52Å; H2128-Y2160 AromaticContact NE2-CZ 3.59Å; H2128-Y2160 PolarHBondContact NE2-OH 3.46Å; H2128-Y2208 PolarHBondContact CE1-OH 3.18Å; H2128-Y2208 VanDerWaalsContact CE1-OH 3.23Å |
| 2129 | K | 95.2 | Very high | 93.5 | Very high | 83 Ų | 83 | 43.5 Ų | 43.5 | 36% | 0.361 | 21% | 0.21 | S | C | . | . | I | π-helix | trans | -63.7 | -49.1 | 177.3 | -173.2 | -175.4 | -170.5 | -179.6 | 0 | 113 | V2087 E2095 F2125 | V2087-K2129 HydrophobicContact CG1-CB 3.84Å; V2087-K2129 HydrophobicContact CG1-CG 4.03Å; E2095-K2129 IonicContact OE1-NZ 3.99Å; E2095-K2129 PolarHBondContact OE1-NZ 2.84Å; F2125-K2129 HydrophobicContact CD2-CB 4.39Å; F2125-K2129 HydrophobicContact CE1-CD 4.07Å; F2125-K2129 HydrophobicContact CE2-CB 4.27Å; F2125-K2129 HydrophobicContact CE2-CD 3.9Å; F2125-K2129 HydrophobicContact CE2-CG 4.47Å; F2125-K2129 HydrophobicContact CZ-CD 3.59Å; F2125-K2129 WeakPolarHBondContact O-CB 3.39Å; F2125-K2129 PolarHBondContact O-N 3.05Å |
| 2130 | N | 90.4 | Very high | 93.3 | Very high | 83 Ų | 83 | 45.8 Ų | 45.8 | 44% | 0.444 | 22% | 0.217 | S | C | . | . | I | π-helix | trans | -91.6 | -24.6 | -167.1 | -61.5 | -40.9 | 0 | 0 | 0 | 113.9 | E2126 K2134 | E2126-N2130 WeakPolarHBondContact O-CB 3.14Å; E2126-N2130 PolarHBondContact O-N 3.41Å; E2126-N2130 VanDerWaalsContact O-N 3.07Å; E2126-N2130 PolarHBondContact O-ND2 2.91Å; N2130-K2134 WeakPolarHBondContact O-CD 3.27Å; N2130-K2134 WeakPolarHBondContact O-CE 3.48Å; N2130-K2134 PolarHBondContact O-NZ 2.71Å |
| 2131 | I | 92.8 | Very high | 92.9 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 28% | 0.282 | 25% | 0.252 | S | S | . | . | I | π-helix | trans | -125.8 | -63.3 | -171.1 | -55.2 | 174.8 | 0 | 0 | 0 | 111.4 | F2127 K2134 E2135 Y2153 | F2127-I2131 HydrophobicContact CD2-CB 4.06Å; F2127-I2131 HydrophobicContact CD2-CD1 4.32Å; F2127-I2131 HydrophobicContact CD2-CG2 4.37Å; F2127-I2131 HydrophobicContact CE2-CB 4.26Å; F2127-I2131 HydrophobicContact CE2-CG2 4.12Å; F2127-I2131 WeakPolarHBondContact O-CB 3.39Å; F2127-I2131 PolarHBondContact O-N 3.07Å; F2127-I2131 VanDerWaalsContact O-N 3.09Å; I2131-K2134 PolarHBondContact O-N 2.84Å; I2131-E2135 PolarHBondContact O-N 3.04Å; I2131-Y2153 HydrophobicContact CG2-CE1 4.1Å; I2131-Y2153 HydrophobicContact CG2-CE2 4.41Å |
| 2132 | F | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | I | π-helix | trans | -66.8 | -46 | -165.7 | -162 | -114.5 | 0 | 0 | 0 | 112.9 | F2127 H2128 K2134 E2135 I2136 A2149 F2150 Y2153 Y2208 | F2127-F2132 HydrophobicContact CE1-CB 4.06Å; F2127-F2132 HydrophobicContact CE1-CD2 4.2Å; F2127-F2132 HydrophobicContact CE1-CG 4.18Å; F2127-F2132 HydrophobicContact CE2-CB 4.09Å; F2127-F2132 HydrophobicContact CE2-CD2 4.38Å; F2127-F2132 HydrophobicContact CZ-CB 3.8Å; F2127-F2132 AromaticContact CZ-CD2 3.61Å; F2127-F2132 HydrophobicContact CZ-CD2 3.61Å; F2127-F2132 HydrophobicContact CZ-CE2 4.47Å; F2127-F2132 AromaticContact CZ-CG 3.93Å; F2127-F2132 HydrophobicContact CZ-CG 3.93Å; F2127-F2132 PolarHBondContact O-N 3.13Å; H2128-F2132 AromaticContact CE1-CD1 3.69Å; H2128-F2132 AromaticContact ND1-CD1 3.62Å; F2132-K2134 VanDerWaalsContact C-N 3.25Å; F2132-K2134 PolarHBondContact O-N 3.39Å; F2132-E2135 PolarHBondContact O-N 3.39Å; F2132-E2135 VanDerWaalsContact O-N 3.1Å; F2132-I2136 HydrophobicContact CD1-CG1 3.85Å; F2132-I2136 HydrophobicContact CD2-CG1 4.5Å; F2132-I2136 HydrophobicContact CE1-CD1 3.98Å; F2132-I2136 HydrophobicContact CE1-CG1 3.62Å; F2132-I2136 HydrophobicContact CE2-CD1 4.37Å; F2132-I2136 HydrophobicContact CE2-CG1 4.29Å; F2132-I2136 HydrophobicContact CG-CG1 4.3Å; F2132-I2136 HydrophobicContact CZ-CD1 3.81Å; F2132-I2136 HydrophobicContact CZ-CG1 3.85Å; F2132-I2136 WeakPolarHBondContact O-CG1 3.38Å; F2132-I2136 PolarHBondContact O-N 3.32Å; F2132-A2149 HydrophobicContact CE2-CB 4.25Å; F2132-F2150 HydrophobicContact CE1-CE1 4.24Å; F2132-F2150 HydrophobicContact CE1-CZ 4.29Å; F2132-F2150 AromaticContact CZ-CD1 4Å; F2132-F2150 HydrophobicContact CZ-CD1 4Å; F2132-F2150 AromaticContact CZ-CE1 3.67Å; F2132-F2150 HydrophobicContact CZ-CE1 3.67Å; F2132-F2150 HydrophobicContact CZ-CE2 4.45Å; F2132-F2150 AromaticContact CZ-CZ 3.9Å; F2132-F2150 HydrophobicContact CZ-CZ 3.9Å; F2132-Y2153 AromaticContact CD2-CD2 3.8Å; F2132-Y2153 HydrophobicContact CD2-CD2 3.8Å; F2132-Y2153 HydrophobicContact CD2-CG 4.39Å; F2132-Y2153 HydrophobicContact CE2-CD2 4.04Å; F2132-Y2208 HydrophobicContact CE1-CE1 4.37Å |
| 2133 | S | 91.9 | Very high | 92.4 | Very high | 11 Ų | 11 | 52.5 Ų | 52.5 | 8% | 0.077 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.4 | -37.8 | 178.8 | -170.9 | 0 | 0 | 0 | 0 | 112.4 | H2128 E2135 I2136 E2137 | H2128-S2133 VanDerWaalsContact O-CB 3.26Å; H2128-S2133 WeakPolarHBondContact O-CB 3.44Å; H2128-S2133 PolarHBondContact O-N 3.47Å; S2133-E2135 VanDerWaalsContact C-N 3.34Å; S2133-E2135 PolarHBondContact O-N 3.4Å; S2133-I2136 PolarHBondContact O-N 3.41Å; S2133-E2137 WeakPolarHBondContact O-CB 3.23Å; S2133-E2137 VanDerWaalsContact O-CG 3.24Å; S2133-E2137 WeakPolarHBondContact O-CG 3.47Å; S2133-E2137 PolarHBondContact O-N 2.95Å |
| 2134 | K | 89.7 | Confident | 92.2 | Very high | 118 Ų | 118 | 49 Ų | 49 | 51% | 0.513 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -75 | -21.6 | -179.3 | -59.3 | 178.3 | -169.9 | 159.2 | 0 | 113.7 | N2130 I2131 F2132 K2138 | N2130-K2134 WeakPolarHBondContact O-CD 3.27Å; N2130-K2134 WeakPolarHBondContact O-CE 3.48Å; N2130-K2134 PolarHBondContact O-NZ 2.71Å; I2131-K2134 PolarHBondContact O-N 2.84Å; F2132-K2134 VanDerWaalsContact C-N 3.25Å; F2132-K2134 PolarHBondContact O-N 3.39Å; K2134-K2138 WeakPolarHBondContact O-CE 3.32Å |
| 2135 | E | 88.5 | Confident | 91.8 | Very high | 33 Ų | 33 | 49.5 Ų | 49.5 | 15% | 0.154 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -85.1 | -40.4 | 172.6 | -161 | 84.4 | 139.1 | 0 | 0 | 110.3 | I2131 F2132 S2133 K2138 A2149 K2152 Y2153 | I2131-E2135 PolarHBondContact O-N 3.04Å; F2132-E2135 PolarHBondContact O-N 3.39Å; F2132-E2135 VanDerWaalsContact O-N 3.1Å; S2133-E2135 VanDerWaalsContact C-N 3.34Å; S2133-E2135 PolarHBondContact O-N 3.4Å; E2135-K2138 WeakPolarHBondContact O-CB 3.3Å; E2135-K2138 PolarHBondContact O-N 2.9Å; E2135-K2138 WeakPolarHBondContact OE2-CE 3.37Å; E2135-K2138 IonicContact OE2-NZ 2.84Å; E2135-K2138 PolarHBondContact OE2-NZ 3.46Å; E2135-A2149 HydrophobicContact CB-CB 4.42Å; E2135-A2149 HydrophobicContact CG-CB 3.92Å; E2135-K2152 IonicContact OE1-NZ 2.86Å; E2135-K2152 PolarHBondContact OE1-NZ 3.08Å; E2135-Y2153 HydrophobicContact CB-CE2 4.35Å; E2135-Y2153 HydrophobicContact CG-CE2 4.2Å |
| 2136 | I | 93.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.9 | -37 | 176.8 | -69.6 | -67.3 | 0 | 0 | 0 | 111.9 | L2079 V2080 F2132 S2133 K2138 C2139 A2149 F2150 | L2079-I2136 HydrophobicContact CD2-CD1 4.46Å; L2079-I2136 HydrophobicContact CD2-CG2 4.31Å; L2079-I2136 HydrophobicContact CG-CG2 4.02Å; V2080-I2136 HydrophobicContact CG2-CG2 3.97Å; F2132-I2136 HydrophobicContact CD1-CG1 3.85Å; F2132-I2136 HydrophobicContact CD2-CG1 4.5Å; F2132-I2136 HydrophobicContact CE1-CD1 3.98Å; F2132-I2136 HydrophobicContact CE1-CG1 3.62Å; F2132-I2136 HydrophobicContact CE2-CD1 4.37Å; F2132-I2136 HydrophobicContact CE2-CG1 4.29Å; F2132-I2136 HydrophobicContact CG-CG1 4.3Å; F2132-I2136 HydrophobicContact CZ-CD1 3.81Å; F2132-I2136 HydrophobicContact CZ-CG1 3.85Å; F2132-I2136 WeakPolarHBondContact O-CG1 3.38Å; F2132-I2136 PolarHBondContact O-N 3.32Å; S2133-I2136 PolarHBondContact O-N 3.41Å; I2136-K2138 PolarHBondContact O-N 3.47Å; I2136-K2138 VanDerWaalsContact O-N 3.09Å; I2136-C2139 WeakPolarHBondContact O-CB 3.37Å; I2136-C2139 PolarHBondContact O-N 2.8Å; I2136-C2139 PolarHBondContact O-SG 3Å; I2136-A2149 HydrophobicContact CD1-CB 3.86Å; I2136-F2150 HydrophobicContact CD1-CE2 3.99Å; I2136-F2150 HydrophobicContact CD1-CZ 4.38Å |
| 2137 | E | 91.3 | Very high | 91.2 | Very high | 61 Ų | 61 | 45 Ų | 45 | 29% | 0.285 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -56.3 | -26.6 | 176.3 | -82.9 | 171.5 | 157.5 | 0 | 0 | 114.1 | V2080 R2084 S2133 C2139 | V2080-E2137 HydrophobicContact CG1-CG 3.79Å; R2084-E2137 IonicContact CZ-OE1 2.71Å; R2084-E2137 IonicContact NE-OE1 3.25Å; R2084-E2137 PolarHBondContact NE-OE1 3.45Å; R2084-E2137 IonicContact NH2-OE1 3.07Å; R2084-E2137 PolarHBondContact NH2-OE1 3.46Å; S2133-E2137 WeakPolarHBondContact O-CB 3.23Å; S2133-E2137 VanDerWaalsContact O-CG 3.24Å; S2133-E2137 WeakPolarHBondContact O-CG 3.47Å; S2133-E2137 PolarHBondContact O-N 2.95Å; E2137-C2139 PolarHBondContact O-N 3.18Å |
| 2138 | K | 92 | Very high | 91 | Very high | 107 Ų | 107 | 49.6 Ų | 49.6 | 47% | 0.465 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -68 | -17.1 | 176.3 | -58.2 | 172.5 | -178 | 174.4 | 0 | 113.1 | K2134 E2135 I2136 L2140 D2141 D2142 A2145 | K2134-K2138 WeakPolarHBondContact O-CE 3.32Å; E2135-K2138 WeakPolarHBondContact O-CB 3.3Å; E2135-K2138 PolarHBondContact O-N 2.9Å; E2135-K2138 WeakPolarHBondContact OE2-CE 3.37Å; E2135-K2138 IonicContact OE2-NZ 2.84Å; E2135-K2138 PolarHBondContact OE2-NZ 3.46Å; I2136-K2138 PolarHBondContact O-N 3.47Å; I2136-K2138 VanDerWaalsContact O-N 3.09Å; K2138-L2140 PolarHBondContact O-N 3.36Å; K2138-L2140 VanDerWaalsContact O-N 3.15Å; K2138-D2141 PolarHBondContact O-N 3.01Å; K2138-D2142 PolarHBondContact O-N 3.41Å; K2138-D2142 VanDerWaalsContact O-N 3.11Å; K2138-A2145 HydrophobicContact CB-CB 4.06Å |
| 2139 | C | 91.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -71.3 | -7.2 | -176.9 | 85.2 | 0 | 0 | 0 | 0 | 114.3 | L2076 I2136 E2137 D2142 A2146 | L2076-C2139 WeakPolarHBondContact CD1-O 3.24Å; L2076-C2139 HydrophobicContact CD2-CB 3.96Å; I2136-C2139 WeakPolarHBondContact O-CB 3.37Å; I2136-C2139 PolarHBondContact O-N 2.8Å; I2136-C2139 PolarHBondContact O-SG 3Å; E2137-C2139 PolarHBondContact O-N 3.18Å; C2139-D2142 VanDerWaalsContact CA-O 3.29Å; C2139-D2142 WeakPolarHBondContact CA-O 3.41Å; C2139-A2146 HydrophobicContact CB-CB 3.74Å |
| 2140 | L | 87.1 | Confident | 90.7 | Very high | 83 Ų | 83 | 45.6 Ų | 45.6 | 44% | 0.435 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -73.8 | -33.4 | 173.2 | -59 | 179.1 | 0 | 0 | 0 | 112.2 | Q2077 V2080 K2138 | Q2077-L2140 HydrophobicContact CB-CD2 4.32Å; V2080-L2140 HydrophobicContact CB-CD2 4.5Å; V2080-L2140 HydrophobicContact CG1-CD1 4.45Å; V2080-L2140 HydrophobicContact CG2-CD1 4.47Å; V2080-L2140 HydrophobicContact CG2-CD2 4.01Å; V2080-L2140 HydrophobicContact CG2-CG 4.09Å; K2138-L2140 PolarHBondContact O-N 3.36Å; K2138-L2140 VanDerWaalsContact O-N 3.15Å |
| 2141 | D | 83.7 | Confident | 90.8 | Very high | 159 Ų | 159 | 44.2 Ų | 44.2 | 85% | 0.85 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.5 | -37.9 | 177.6 | -57.7 | -54.5 | 0 | 0 | 0 | 111.7 | K2138 | K2138-D2141 PolarHBondContact O-N 3.01Š|
| 2142 | D | 87.8 | Confident | 90.8 | Very high | 58 Ų | 58 | 47.7 Ų | 47.7 | 31% | 0.31 | 23% | 0.227 | S | C | . | . | trans | -130.7 | 101.4 | -177.1 | 165.2 | 22.9 | 0 | 0 | 0 | 110.9 | K2138 C2139 E2144 A2145 R2148 | K2138-D2142 PolarHBondContact O-N 3.41Å; K2138-D2142 VanDerWaalsContact O-N 3.11Å; C2139-D2142 VanDerWaalsContact CA-O 3.29Å; C2139-D2142 WeakPolarHBondContact CA-O 3.41Å; D2142-E2144 PolarHBondContact O-N 3.34Å; D2142-E2144 VanDerWaalsContact O-N 3.13Å; D2142-E2144 WeakPolarHBondContact OD1-CB 3.4Å; D2142-E2144 PolarHBondContact OD1-N 2.87Å; D2142-E2144 VanDerWaalsContact OD1-N 3.1Å; D2142-A2145 HydrophobicContact CB-CB 4.35Å; D2142-A2145 WeakPolarHBondContact O-CB 3.46Å; D2142-A2145 PolarHBondContact O-N 3.31Å; D2142-R2148 IonicContact OD1-NH2 2.68Å; D2142-R2148 PolarHBondContact OD1-NH2 3.41Å; D2142-R2148 IonicContact OD2-CZ 3.52Å; D2142-R2148 IonicContact OD2-NE 3.52Å; D2142-R2148 IonicContact OD2-NH2 2.7Å; D2142-R2148 PolarHBondContact OD2-NH2 3.01Å | ||
| 2143 | Y | 90.5 | Very high | 90.7 | Very high | 33 Ų | 33 | 49.4 Ų | 49.4 | 13% | 0.129 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -28.1 | -175.6 | 73.2 | -87 | 0 | 0 | 0 | 113.9 | R2072 A2145 A2146 T2219 E2224 D2225 L2229 | R2072-Y2143 VanDerWaalsContact CZ-CD1 3.47Å; Y2143-A2145 VanDerWaalsContact C-N 3.26Å; Y2143-A2145 PolarHBondContact O-N 2.93Å; Y2143-A2146 PolarHBondContact O-N 3.2Å; Y2143-T2219 HydrophobicContact CD2-CG2 4.15Å; Y2143-T2219 HydrophobicContact CE2-CG2 3.59Å; Y2143-E2224 WeakPolarHBondContact CE1-OE2 3.09Å; Y2143-D2225 WeakPolarHBondContact CE2-O 3.49Å; Y2143-D2225 PolarHBondContact OH-N 3.1Å; Y2143-D2225 PolarHBondContact OH-O 2.99Å; Y2143-L2229 HydrophobicContact CD2-CD1 4.27Å; Y2143-L2229 HydrophobicContact CE2-CD1 4.41Å |
| 2144 | E | 89.8 | Confident | 90.5 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 22% | 0.22 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -72 | -22.4 | 178.9 | -63.3 | 179.2 | 174.1 | 0 | 0 | 112 | D2142 A2146 G2147 R2148 I2228 | D2142-E2144 PolarHBondContact O-N 3.34Å; D2142-E2144 VanDerWaalsContact O-N 3.13Å; D2142-E2144 WeakPolarHBondContact OD1-CB 3.4Å; D2142-E2144 PolarHBondContact OD1-N 2.87Å; D2142-E2144 VanDerWaalsContact OD1-N 3.1Å; E2144-A2146 PolarHBondContact O-N 2.69Å; E2144-G2147 PolarHBondContact O-N 3.24Å; E2144-R2148 VanDerWaalsContact CB-NH2 3.29Å; E2144-R2148 PolarHBondContact O-N 3.45Å; E2144-R2148 IonicContact OE2-CZ 3.64Å; E2144-R2148 VanDerWaalsContact OE2-CZ 3.28Å; E2144-R2148 IonicContact OE2-NH1 2.77Å; E2144-R2148 PolarHBondContact OE2-NH1 3.13Å; E2144-R2148 IonicContact OE2-NH2 2.69Å; E2144-R2148 PolarHBondContact OE2-NH2 3.31Å; E2144-I2228 HydrophobicContact CB-CG2 4.1Å; E2144-I2228 HydrophobicContact CG-CG2 4.2Å |
| 2145 | A | 88.8 | Confident | 90.3 | Very high | 9 Ų | 9 | 57.8 Ų | 57.8 | 7% | 0.074 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.3 | -33.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | K2138 D2142 Y2143 A2149 | K2138-A2145 HydrophobicContact CB-CB 4.06Å; D2142-A2145 HydrophobicContact CB-CB 4.35Å; D2142-A2145 WeakPolarHBondContact O-CB 3.46Å; D2142-A2145 PolarHBondContact O-N 3.31Å; Y2143-A2145 VanDerWaalsContact C-N 3.26Å; Y2143-A2145 PolarHBondContact O-N 2.93Å; A2145-A2149 VanDerWaalsContact O-CB 3.3Å; A2145-A2149 WeakPolarHBondContact O-CB 3.49Å; A2145-A2149 PolarHBondContact O-N 2.97Å |
| 2146 | A | 90.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -51.3 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | L2076 L2079 C2139 Y2143 E2144 R2148 A2149 F2150 | L2076-A2146 HydrophobicContact CD2-CB 4.28Å; L2079-A2146 HydrophobicContact CD2-CB 4.27Å; C2139-A2146 HydrophobicContact CB-CB 3.74Å; Y2143-A2146 PolarHBondContact O-N 3.2Å; E2144-A2146 PolarHBondContact O-N 2.69Å; A2146-R2148 PolarHBondContact O-N 3.09Å; A2146-A2149 PolarHBondContact O-N 3.17Å; A2146-F2150 VanDerWaalsContact O-CD2 3.24Å; A2146-F2150 WeakPolarHBondContact O-CD2 3.44Å; A2146-F2150 PolarHBondContact O-N 3.1Å |
| 2147 | G | 89.9 | Confident | 90.2 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | E2144 A2149 F2150 V2151 | E2144-G2147 PolarHBondContact O-N 3.24Å; G2147-A2149 VanDerWaalsContact C-N 3.33Å; G2147-A2149 PolarHBondContact O-N 3.15Å; G2147-F2150 PolarHBondContact O-N 2.95Å; G2147-V2151 WeakPolarHBondContact O-CG2 3.17Å; G2147-V2151 PolarHBondContact O-N 3.47Å |
| 2148 | R | 91.6 | Very high | 90 | Very high | 101 Ų | 101 | 61.4 Ų | 61.4 | 38% | 0.381 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -56.2 | -44.8 | 174.1 | -75 | -172.1 | -94.5 | -85.8 | 7.4 | 111.8 | D2142 E2144 A2146 K2152 I2228 | D2142-R2148 IonicContact OD1-NH2 2.68Å; D2142-R2148 PolarHBondContact OD1-NH2 3.41Å; D2142-R2148 IonicContact OD2-CZ 3.52Å; D2142-R2148 IonicContact OD2-NE 3.52Å; D2142-R2148 IonicContact OD2-NH2 2.7Å; D2142-R2148 PolarHBondContact OD2-NH2 3.01Å; E2144-R2148 VanDerWaalsContact CB-NH2 3.29Å; E2144-R2148 PolarHBondContact O-N 3.45Å; E2144-R2148 IonicContact OE2-CZ 3.64Å; E2144-R2148 VanDerWaalsContact OE2-CZ 3.28Å; E2144-R2148 IonicContact OE2-NH1 2.77Å; E2144-R2148 PolarHBondContact OE2-NH1 3.13Å; E2144-R2148 IonicContact OE2-NH2 2.69Å; E2144-R2148 PolarHBondContact OE2-NH2 3.31Å; A2146-R2148 PolarHBondContact O-N 3.09Å; R2148-K2152 WeakPolarHBondContact O-CB 3.5Å; R2148-K2152 PolarHBondContact O-N 3.06Å; R2148-I2228 HydrophobicContact CG-CD1 4.03Å; R2148-I2228 HydrophobicContact CG-CG1 4.02Å |
| 2149 | A | 91.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | F2132 E2135 I2136 A2145 A2146 G2147 Y2153 | F2132-A2149 HydrophobicContact CE2-CB 4.25Å; E2135-A2149 HydrophobicContact CB-CB 4.42Å; E2135-A2149 HydrophobicContact CG-CB 3.92Å; I2136-A2149 HydrophobicContact CD1-CB 3.86Å; A2145-A2149 VanDerWaalsContact O-CB 3.3Å; A2145-A2149 WeakPolarHBondContact O-CB 3.49Å; A2145-A2149 PolarHBondContact O-N 2.97Å; A2146-A2149 PolarHBondContact O-N 3.17Å; G2147-A2149 VanDerWaalsContact C-N 3.33Å; G2147-A2149 PolarHBondContact O-N 3.15Å; A2149-Y2153 WeakPolarHBondContact O-CB 3.19Å; A2149-Y2153 WeakPolarHBondContact O-CD2 3.28Å; A2149-Y2153 PolarHBondContact O-N 2.91Å; A2149-Y2153 VanDerWaalsContact O-N 3.13Å |
| 2150 | F | 96.6 | Very high | 90 | Very high | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 179.3 | -77.1 | -75.6 | 0 | 0 | 0 | 112.6 | L2079 F2132 I2136 A2146 G2147 Y2153 E2154 L2157 Y2208 L2212 A2232 M2236 | L2079-F2150 HydrophobicContact CD1-CZ 4.5Å; L2079-F2150 HydrophobicContact CD2-CE2 4.48Å; F2132-F2150 HydrophobicContact CE1-CE1 4.24Å; F2132-F2150 HydrophobicContact CE1-CZ 4.29Å; F2132-F2150 AromaticContact CZ-CD1 4Å; F2132-F2150 HydrophobicContact CZ-CD1 4Å; F2132-F2150 AromaticContact CZ-CE1 3.67Å; F2132-F2150 HydrophobicContact CZ-CE1 3.67Å; F2132-F2150 HydrophobicContact CZ-CE2 4.45Å; F2132-F2150 AromaticContact CZ-CZ 3.9Å; F2132-F2150 HydrophobicContact CZ-CZ 3.9Å; I2136-F2150 HydrophobicContact CD1-CE2 3.99Å; I2136-F2150 HydrophobicContact CD1-CZ 4.38Å; A2146-F2150 VanDerWaalsContact O-CD2 3.24Å; A2146-F2150 WeakPolarHBondContact O-CD2 3.44Å; A2146-F2150 PolarHBondContact O-N 3.1Å; G2147-F2150 PolarHBondContact O-N 2.95Å; F2150-Y2153 PolarHBondContact O-N 2.91Å; F2150-E2154 PolarHBondContact O-N 3.14Å; F2150-L2157 HydrophobicContact CD1-CD1 4Å; F2150-Y2208 AromaticContact CE1-CD1 3.75Å; F2150-Y2208 HydrophobicContact CE1-CD1 3.75Å; F2150-Y2208 AromaticContact CE1-CD2 3.87Å; F2150-Y2208 HydrophobicContact CE1-CD2 3.87Å; F2150-Y2208 HydrophobicContact CE1-CE1 4.23Å; F2150-Y2208 HydrophobicContact CE1-CE2 4.36Å; F2150-Y2208 AromaticContact CE1-CG 3.53Å; F2150-Y2208 HydrophobicContact CE1-CG 3.53Å; F2150-Y2208 AromaticContact CZ-CD1 3.45Å; F2150-Y2208 HydrophobicContact CZ-CD1 3.45Å; F2150-Y2208 VanDerWaalsContact CZ-CD1 3.45Å; F2150-Y2208 HydrophobicContact CZ-CD2 4.43Å; F2150-Y2208 AromaticContact CZ-CE1 3.96Å; F2150-Y2208 HydrophobicContact CZ-CE1 3.96Å; F2150-Y2208 AromaticContact CZ-CG 3.71Å; F2150-Y2208 HydrophobicContact CZ-CG 3.71Å; F2150-L2212 HydrophobicContact CD1-CD1 4.35Å; F2150-L2212 HydrophobicContact CD2-CD1 3.83Å; F2150-L2212 HydrophobicContact CD2-CD2 3.82Å; F2150-L2212 HydrophobicContact CD2-CG 4.19Å; F2150-L2212 HydrophobicContact CE2-CD1 4.09Å; F2150-L2212 HydrophobicContact CE2-CD2 4Å; F2150-L2212 HydrophobicContact CE2-CG 4.16Å; F2150-L2212 HydrophobicContact CG-CD1 3.99Å; F2150-L2212 HydrophobicContact CZ-CD1 4.47Å; F2150-A2232 HydrophobicContact CB-CB 3.82Å; F2150-M2236 HydrophobicContact CD1-CG 3.77Å; F2150-M2236 HydrophobicContact CD1-SD 3.86Å; F2150-M2236 HydrophobicContact CE1-CG 4.16Å; F2150-M2236 HydrophobicContact CE1-SD 4.12Å; F2150-M2236 HydrophobicContact CG-CG 4.42Å |
| 2151 | V | 92.8 | Very high | 90 | Very high | 54 Ų | 54 | 54.7 Ų | 54.7 | 33% | 0.327 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.6 | -45.8 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 111.1 | G2147 Y2153 K2231 A2232 | G2147-V2151 WeakPolarHBondContact O-CG2 3.17Å; G2147-V2151 PolarHBondContact O-N 3.47Å; V2151-Y2153 PolarHBondContact O-N 2.83Å; V2151-K2231 HydrophobicContact CG2-CB 3.96Å; V2151-A2232 HydrophobicContact CG2-CB 4.17Å |
| 2152 | K | 92.4 | Very high | 90 | Very high | 127 Ų | 127 | 51 Ų | 51 | 55% | 0.552 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -61.7 | -27.7 | 179.6 | -179.8 | 177.6 | 176.6 | -179.3 | 0 | 113.8 | E2135 R2148 | E2135-K2152 IonicContact OE1-NZ 2.86Å; E2135-K2152 PolarHBondContact OE1-NZ 3.08Å; R2148-K2152 WeakPolarHBondContact O-CB 3.5Å; R2148-K2152 PolarHBondContact O-N 3.06Å |
| 2153 | Y | 92.6 | Very high | 90.2 | Very high | 36 Ų | 36 | 48.2 Ų | 48.2 | 14% | 0.141 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -114.2 | 10.3 | -173.7 | -64.4 | -58.8 | 0 | 0 | 0 | 115.6 | F2127 I2131 F2132 E2135 A2149 F2150 V2151 R2155 R2156 L2157 | F2127-Y2153 HydrophobicContact CE2-CD1 4.05Å; F2127-Y2153 HydrophobicContact CE2-CE1 4.49Å; F2127-Y2153 HydrophobicContact CE2-CG 4.14Å; F2127-Y2153 HydrophobicContact CZ-CD1 4.33Å; F2127-Y2153 HydrophobicContact CZ-CD2 4.5Å; F2127-Y2153 AromaticContact CZ-CG 4Å; F2127-Y2153 HydrophobicContact CZ-CG 4Å; I2131-Y2153 HydrophobicContact CG2-CE1 4.1Å; I2131-Y2153 HydrophobicContact CG2-CE2 4.41Å; F2132-Y2153 AromaticContact CD2-CD2 3.8Å; F2132-Y2153 HydrophobicContact CD2-CD2 3.8Å; F2132-Y2153 HydrophobicContact CD2-CG 4.39Å; F2132-Y2153 HydrophobicContact CE2-CD2 4.04Å; E2135-Y2153 HydrophobicContact CB-CE2 4.35Å; E2135-Y2153 HydrophobicContact CG-CE2 4.2Å; A2149-Y2153 WeakPolarHBondContact O-CB 3.19Å; A2149-Y2153 WeakPolarHBondContact O-CD2 3.28Å; A2149-Y2153 PolarHBondContact O-N 2.91Å; A2149-Y2153 VanDerWaalsContact O-N 3.13Å; F2150-Y2153 PolarHBondContact O-N 2.91Å; V2151-Y2153 PolarHBondContact O-N 2.83Å; Y2153-R2155 VanDerWaalsContact C-N 3.32Å; Y2153-R2155 PolarHBondContact O-N 3.33Å; Y2153-R2156 WeakPolarHBondContact O-CA 3.33Å; Y2153-R2156 WeakPolarHBondContact O-CB 3.49Å; Y2153-R2156 PolarHBondContact O-N 2.92Å; Y2153-L2157 PolarHBondContact O-N 3.36Å |
| 2154 | E | 89.1 | Confident | 90.2 | Very high | 71 Ų | 71 | 46.9 Ų | 46.9 | 33% | 0.332 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -41.6 | -54.7 | 174.2 | 175.8 | -175.4 | 173.4 | 0 | 0 | 113.1 | F2150 R2156 L2157 H2158 V2235 | F2150-E2154 PolarHBondContact O-N 3.14Å; E2154-R2156 PolarHBondContact O-N 3.47Å; E2154-R2156 VanDerWaalsContact O-N 3.16Å; E2154-L2157 PolarHBondContact O-N 3.24Å; E2154-H2158 PolarHBondContact O-N 3.29Å; E2154-H2158 VanDerWaalsContact O-N 3.11Å; E2154-V2235 HydrophobicContact CB-CG1 3.82Å; E2154-V2235 HydrophobicContact CB-CG2 4.46Å; E2154-V2235 HydrophobicContact CG-CG1 3.85Å; E2154-V2235 HydrophobicContact CG-CG2 4.45Å |
| 2155 | R | 84.8 | Confident | 89.9 | Confident | 235 Ų | 235 | 46.5 Ų | 46.5 | 89% | 0.887 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -62.3 | -25.1 | -177.8 | -176.6 | 172.7 | 175.5 | 138.3 | 0.8 | 113.1 | Y2153 | Y2153-R2155 VanDerWaalsContact C-N 3.32Å; Y2153-R2155 PolarHBondContact O-N 3.33Å |
| 2156 | R | 87.6 | Confident | 89.9 | Confident | 123 Ų | 123 | 47.5 Ų | 47.5 | 46% | 0.464 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -80.1 | -44.4 | 170.8 | -72.9 | -169.6 | 175.3 | -127.4 | 1.7 | 110.9 | F2127 Y2153 E2154 H2158 M2159 | F2127-R2156 HydrophobicContact CE1-CB 4.22Å; F2127-R2156 HydrophobicContact CE2-CB 4.18Å; F2127-R2156 HydrophobicContact CE2-CG 4.48Å; F2127-R2156 HydrophobicContact CZ-CB 4.01Å; Y2153-R2156 WeakPolarHBondContact O-CA 3.33Å; Y2153-R2156 WeakPolarHBondContact O-CB 3.49Å; Y2153-R2156 PolarHBondContact O-N 2.92Å; E2154-R2156 PolarHBondContact O-N 3.47Å; E2154-R2156 VanDerWaalsContact O-N 3.16Å; R2156-H2158 PolarHBondContact O-N 3.21Å; R2156-H2158 VanDerWaalsContact O-N 3.08Å; R2156-M2159 HydrophobicContact CB-CE 4.07Å; R2156-M2159 VanDerWaalsContact O-CB 3.3Å; R2156-M2159 WeakPolarHBondContact O-CB 3.43Å; R2156-M2159 VanDerWaalsContact O-CE 3.3Å; R2156-M2159 WeakPolarHBondContact O-CE 3.32Å; R2156-M2159 WeakPolarHBondContact O-CG 3.43Å; R2156-M2159 PolarHBondContact O-N 2.98Å |
| 2157 | L | 93.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -57.4 | -24.1 | 178.3 | -67.5 | 169 | 0 | 0 | 0 | 113.3 | F2127 F2150 Y2153 E2154 M2159 Y2160 I2205 M2236 | F2127-L2157 HydrophobicContact CE1-CD2 4.2Å; F2150-L2157 HydrophobicContact CD1-CD1 4Å; Y2153-L2157 PolarHBondContact O-N 3.36Å; E2154-L2157 PolarHBondContact O-N 3.24Å; L2157-M2159 PolarHBondContact O-N 3.25Å; L2157-Y2160 HydrophobicContact CD2-CE2 4.27Å; L2157-Y2160 VanDerWaalsContact O-CD2 3.31Å; L2157-Y2160 WeakPolarHBondContact O-CD2 3.27Å; L2157-Y2160 PolarHBondContact O-N 2.95Å; L2157-Y2160 VanDerWaalsContact O-N 3.15Å; L2157-I2205 HydrophobicContact CD2-CD1 4.38Å; L2157-M2236 HydrophobicContact CD1-SD 4.05Å |
| 2158 | H | 86.6 | Confident | 89.5 | Confident | 46 Ų | 46 | 51.2 Ų | 51.2 | 21% | 0.213 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -17.5 | 167.8 | -102.2 | -61.5 | 0 | 0 | 0 | 115.1 | E2154 R2156 Y2160 V2161 | E2154-H2158 PolarHBondContact O-N 3.29Å; E2154-H2158 VanDerWaalsContact O-N 3.11Å; R2156-H2158 PolarHBondContact O-N 3.21Å; R2156-H2158 VanDerWaalsContact O-N 3.08Å; H2158-Y2160 PolarHBondContact O-N 3.3Å; H2158-Y2160 VanDerWaalsContact O-N 3.14Å; H2158-V2161 WeakPolarHBondContact O-CB 3.25Å; H2158-V2161 PolarHBondContact O-N 3.44Å |
| 2159 | M | 89.3 | Confident | 89 | Confident | 29 Ų | 29 | 51.6 Ų | 51.6 | 14% | 0.143 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.5 | -24.5 | 173.4 | 72 | 178.9 | 61.8 | 0 | 0 | 113.4 | N2120 I2124 F2127 R2156 L2157 V2161 V2162 Y2163 | N2120-M2159 PolarHBondContact ND2-O 3Å; I2124-M2159 HydrophobicContact CB-SD 4.13Å; I2124-M2159 HydrophobicContact CG1-CG 4.09Å; I2124-M2159 HydrophobicContact CG1-SD 3.72Å; F2127-M2159 HydrophobicContact CB-CE 3.87Å; F2127-M2159 HydrophobicContact CB-SD 4.41Å; F2127-M2159 HydrophobicContact CD1-CE 3.71Å; F2127-M2159 HydrophobicContact CD1-SD 4.13Å; F2127-M2159 HydrophobicContact CG-CE 3.88Å; R2156-M2159 HydrophobicContact CB-CE 4.07Å; R2156-M2159 VanDerWaalsContact O-CB 3.3Å; R2156-M2159 WeakPolarHBondContact O-CB 3.43Å; R2156-M2159 VanDerWaalsContact O-CE 3.3Å; R2156-M2159 WeakPolarHBondContact O-CE 3.32Å; R2156-M2159 WeakPolarHBondContact O-CG 3.43Å; R2156-M2159 PolarHBondContact O-N 2.98Å; L2157-M2159 PolarHBondContact O-N 3.25Å; M2159-V2161 VanDerWaalsContact C-N 3.31Å; M2159-V2161 PolarHBondContact O-N 2.67Å; M2159-V2162 PolarHBondContact O-N 3.04Å; M2159-Y2163 PolarHBondContact O-N 3.39Å |
| 2160 | Y | 93.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.7 | -26.1 | 176.3 | -75.9 | -103.5 | 0 | 0 | 0 | 112.7 | Y2086 I2124 H2128 L2157 H2158 V2162 Y2163 C2164 P2201 I2205 | Y2086-Y2160 WeakPolarHBondContact CE1-OH 3.48Å; Y2086-Y2160 WeakPolarHBondContact OH-CE1 3.39Å; Y2086-Y2160 PolarHBondContact OH-OH 2.95Å; I2124-Y2160 HydrophobicContact CG2-CE1 4.28Å; I2124-Y2160 HydrophobicContact CG2-CE2 4.03Å; I2124-Y2160 WeakPolarHBondContact CG2-OH 3.24Å; H2128-Y2160 PolarHBondContact CD2-OH 2.72Å; H2128-Y2160 PolarHBondContact CE1-OH 2.81Å; H2128-Y2160 VanDerWaalsContact CE1-OH 3.27Å; H2128-Y2160 AromaticContact NE2-CE2 3.52Å; H2128-Y2160 AromaticContact NE2-CZ 3.59Å; H2128-Y2160 PolarHBondContact NE2-OH 3.46Å; L2157-Y2160 HydrophobicContact CD2-CE2 4.27Å; L2157-Y2160 VanDerWaalsContact O-CD2 3.31Å; L2157-Y2160 WeakPolarHBondContact O-CD2 3.27Å; L2157-Y2160 PolarHBondContact O-N 2.95Å; L2157-Y2160 VanDerWaalsContact O-N 3.15Å; H2158-Y2160 PolarHBondContact O-N 3.3Å; H2158-Y2160 VanDerWaalsContact O-N 3.14Å; Y2160-V2162 VanDerWaalsContact C-N 3.33Å; Y2160-V2162 PolarHBondContact O-N 3.01Å; Y2160-Y2163 PolarHBondContact O-N 3.3Å; Y2160-C2164 WeakPolarHBondContact O-CB 3.24Å; Y2160-C2164 PolarHBondContact O-N 3.33Å; Y2160-C2164 PolarHBondContact O-SG 3.16Å; Y2160-P2201 HydrophobicContact CD1-CB 4.07Å; Y2160-P2201 WeakPolarHBondContact CD1-O 3.24Å; Y2160-P2201 HydrophobicContact CE1-CB 3.74Å; Y2160-P2201 VanDerWaalsContact CE1-O 3.29Å; Y2160-P2201 WeakPolarHBondContact CE1-O 3.43Å; Y2160-I2205 HydrophobicContact CD1-CB 3.66Å; Y2160-I2205 HydrophobicContact CD1-CD1 4.27Å; Y2160-I2205 HydrophobicContact CD1-CG1 4.16Å; Y2160-I2205 HydrophobicContact CD1-CG2 4.03Å; Y2160-I2205 HydrophobicContact CD2-CD1 3.96Å; Y2160-I2205 HydrophobicContact CE1-CB 4.04Å; Y2160-I2205 HydrophobicContact CE2-CD1 4.31Å; Y2160-I2205 HydrophobicContact CG-CB 4.1Å; Y2160-I2205 HydrophobicContact CG-CD1 3.94Å; Y2160-I2205 HydrophobicContact CG-CG1 4.06Å |
| 2161 | V | 87.3 | Confident | 88.2 | Confident | 21 Ų | 21 | 55.3 Ų | 55.3 | 13% | 0.127 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 110.8 | H2158 M2159 Q2165 A2242 M2246 | H2158-V2161 WeakPolarHBondContact O-CB 3.25Å; H2158-V2161 PolarHBondContact O-N 3.44Å; M2159-V2161 VanDerWaalsContact C-N 3.31Å; M2159-V2161 PolarHBondContact O-N 2.67Å; V2161-Q2165 WeakPolarHBondContact O-CB 3.21Å; V2161-Q2165 PolarHBondContact O-N 2.88Å; V2161-A2242 HydrophobicContact CG2-CB 3.91Å; V2161-M2246 HydrophobicContact CG1-CB 3.71Å; V2161-M2246 HydrophobicContact CG1-CG 4.05Å |
| 2162 | V | 83.8 | Confident | 87.7 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.5 | -177.1 | 0 | 0 | 0 | 0 | 110.8 | M2159 Y2160 Q2165 N2166 | M2159-V2162 PolarHBondContact O-N 3.04Å; Y2160-V2162 VanDerWaalsContact C-N 3.33Å; Y2160-V2162 PolarHBondContact O-N 3.01Å; V2162-Q2165 PolarHBondContact O-N 3.48Å; V2162-N2166 PolarHBondContact O-N 3.21Å |
| 2163 | Y | 92.5 | Very high | 87.2 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.8 | -50.1 | 178.6 | -170.7 | -96.8 | 0 | 0 | 0 | 112.1 | A2119 N2120 I2121 I2124 M2159 Y2160 Q2165 N2166 K2167 L2198 P2201 V2202 | A2119-Y2163 HydrophobicContact CB-CD2 3.99Å; A2119-Y2163 HydrophobicContact CB-CE2 4.24Å; N2120-Y2163 WeakPolarHBondContact OD1-CA 3.36Å; N2120-Y2163 WeakPolarHBondContact OD1-CB 3.31Å; N2120-Y2163 PolarHBondContact OD1-N 3.37Å; I2121-Y2163 HydrophobicContact CB-CD2 4.34Å; I2121-Y2163 HydrophobicContact CB-CE2 3.85Å; I2121-Y2163 HydrophobicContact CD1-CE2 4Å; I2121-Y2163 HydrophobicContact CG1-CE2 4.1Å; I2124-Y2163 HydrophobicContact CD1-CD2 4.07Å; I2124-Y2163 HydrophobicContact CD1-CG 3.93Å; M2159-Y2163 PolarHBondContact O-N 3.39Å; Y2160-Y2163 PolarHBondContact O-N 3.3Å; Y2163-Q2165 VanDerWaalsContact C-N 3.31Å; Y2163-Q2165 PolarHBondContact O-N 3.43Å; Y2163-N2166 PolarHBondContact O-N 2.92Å; Y2163-K2167 HydrophobicContact CE1-CD 4.37Å; Y2163-K2167 PolarHBondContact O-N 3.42Å; Y2163-L2198 WeakPolarHBondContact CE1-O 3.38Å; Y2163-L2198 WeakPolarHBondContact OH-CA 3.43Å; Y2163-L2198 WeakPolarHBondContact OH-CD2 3.38Å; Y2163-L2198 PolarHBondContact OH-O 2.83Å; Y2163-P2201 HydrophobicContact CD1-CB 3.77Å; Y2163-P2201 HydrophobicContact CD1-CG 4.15Å; Y2163-P2201 HydrophobicContact CE1-CB 3.72Å; Y2163-P2201 HydrophobicContact CE1-CG 3.63Å; Y2163-V2202 HydrophobicContact CD1-CG2 4.35Å; Y2163-V2202 HydrophobicContact CE1-CG2 4.25Å |
| 2164 | C | 89.5 | Confident | 86.9 | Confident | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.027 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.9 | -37.8 | 177.9 | -67.7 | 0 | 0 | 0 | 0 | 112.3 | Y2160 N2166 C2243 | Y2160-C2164 WeakPolarHBondContact O-CB 3.24Å; Y2160-C2164 PolarHBondContact O-N 3.33Å; Y2160-C2164 PolarHBondContact O-SG 3.16Å; C2164-N2166 VanDerWaalsContact C-N 3.29Å; C2164-N2166 PolarHBondContact O-N 3.24Å; C2164-C2243 HydrophobicContact CB-CB 3.84Å |
| 2165 | Q | 83.9 | Confident | 86.5 | Confident | 40 Ų | 40 | 53.1 Ų | 53.1 | 19% | 0.187 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.8 | -33.1 | 174.5 | -169.5 | -175.8 | 25.3 | 0 | 0 | 112.5 | V2161 V2162 Y2163 M2246 | V2161-Q2165 WeakPolarHBondContact O-CB 3.21Å; V2161-Q2165 PolarHBondContact O-N 2.88Å; V2162-Q2165 PolarHBondContact O-N 3.48Å; Y2163-Q2165 VanDerWaalsContact C-N 3.31Å; Y2163-Q2165 PolarHBondContact O-N 3.43Å; Q2165-M2246 HydrophobicContact CB-CG 4.4Å; Q2165-M2246 HydrophobicContact CG-CG 4.2Å |
| 2166 | N | 88.1 | Confident | 86.2 | Confident | 29 Ų | 29 | 45.9 Ų | 45.9 | 16% | 0.155 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -88.8 | -26.6 | -179.1 | -165.2 | 84.1 | 0 | 0 | 0 | 114 | I2116 A2119 V2162 Y2163 C2164 P2168 K2169 S2170 | I2116-N2166 PolarHBondContact O-ND2 3.5Å; A2119-N2166 HydrophobicContact CB-CB 3.96Å; V2162-N2166 PolarHBondContact O-N 3.21Å; Y2163-N2166 PolarHBondContact O-N 2.92Å; C2164-N2166 VanDerWaalsContact C-N 3.29Å; C2164-N2166 PolarHBondContact O-N 3.24Å; N2166-P2168 VanDerWaalsContact C-N 3.32Å; N2166-P2168 WeakPolarHBondContact O-CD 3.44Å; N2166-K2169 WeakPolarHBondContact O-CA 3.42Å; N2166-K2169 VanDerWaalsContact O-CB 3.31Å; N2166-K2169 WeakPolarHBondContact O-CB 3.37Å; N2166-K2169 PolarHBondContact O-N 3.5Å; N2166-S2170 PolarHBondContact ND2-OG 2.92Å; N2166-S2170 PolarHBondContact O-N 3.35Å |
| 2167 | K | 89.8 | Confident | 85.9 | Confident | 11 Ų | 11 | 41.3 Ų | 41.3 | 5% | 0.048 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -44.2 | -41.5 | -174.3 | -178.3 | 58.8 | 163.5 | 82.8 | 0 | 115.7 | Y2163 K2169 S2170 E2171 L2198 V2202 | Y2163-K2167 HydrophobicContact CE1-CD 4.37Å; Y2163-K2167 PolarHBondContact O-N 3.42Å; K2167-K2169 VanDerWaalsContact C-N 3.3Å; K2167-K2169 PolarHBondContact O-N 3.49Å; K2167-S2170 WeakPolarHBondContact O-CB 3.48Å; K2167-S2170 PolarHBondContact O-N 2.94Å; K2167-E2171 HydrophobicContact CD-CG 4.42Å; K2167-E2171 IonicContact NZ-OE1 2.95Å; K2167-E2171 PolarHBondContact NZ-OE1 3.1Å; K2167-E2171 PolarHBondContact O-N 3.27Å; K2167-L2198 HydrophobicContact CD-CB 4.33Å; K2167-L2198 WeakPolarHBondContact CE-O 3.34Å; K2167-V2202 HydrophobicContact CG-CG2 4.35Å |
| 2168 | P | 81.8 | Confident | 85.3 | Confident | 67 Ų | 67 | 46.5 Ų | 46.5 | 44% | 0.435 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -65.9 | -29.8 | 177.6 | -21.8 | 34.8 | 0 | 0 | 0 | 113.7 | N2166 Y2172 | N2166-P2168 VanDerWaalsContact C-N 3.32Å; N2166-P2168 WeakPolarHBondContact O-CD 3.44Å; P2168-Y2172 WeakPolarHBondContact O-CB 3.4Å; P2168-Y2172 PolarHBondContact O-N 2.88Å; P2168-Y2172 VanDerWaalsContact O-N 3.09Å |
| 2169 | K | 82.4 | Confident | 85 | Confident | 110 Ų | 110 | 50.7 Ų | 50.7 | 48% | 0.478 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -73.5 | -39.3 | 174.6 | -55.2 | 177.5 | -176.6 | 175.3 | 0 | 110.8 | I2116 N2166 K2167 Y2172 L2173 | I2116-K2169 HydrophobicContact CG2-CB 3.85Å; I2116-K2169 HydrophobicContact CG2-CD 4.38Å; N2166-K2169 WeakPolarHBondContact O-CA 3.42Å; N2166-K2169 VanDerWaalsContact O-CB 3.31Å; N2166-K2169 WeakPolarHBondContact O-CB 3.37Å; N2166-K2169 PolarHBondContact O-N 3.5Å; K2167-K2169 VanDerWaalsContact C-N 3.3Å; K2167-K2169 PolarHBondContact O-N 3.49Å; K2169-Y2172 PolarHBondContact O-N 3.49Å; K2169-L2173 WeakPolarHBondContact O-CG 3.45Å; K2169-L2173 PolarHBondContact O-N 3.38Å |
| 2170 | S | 87.6 | Confident | 84.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.1 | -48.4 | 171.7 | -54.1 | 0 | 0 | 0 | 0 | 111.2 | I2116 V2117 N2166 K2167 L2173 V2174 | I2116-S2170 PolarHBondContact O-OG 3.1Å; I2116-S2170 VanDerWaalsContact O-OG 3.11Å; V2117-S2170 WeakPolarHBondContact O-CB 3.33Å; V2117-S2170 PolarHBondContact O-OG 2.78Å; N2166-S2170 PolarHBondContact ND2-OG 2.92Å; N2166-S2170 PolarHBondContact O-N 3.35Å; K2167-S2170 WeakPolarHBondContact O-CB 3.48Å; K2167-S2170 PolarHBondContact O-N 2.94Å; S2170-L2173 PolarHBondContact O-N 2.97Å; S2170-V2174 WeakPolarHBondContact O-CB 3.27Å; S2170-V2174 VanDerWaalsContact O-CG2 3.26Å; S2170-V2174 WeakPolarHBondContact O-CG2 3.49Å; S2170-V2174 PolarHBondContact O-N 3.06Å |
| 2171 | E | 83.9 | Confident | 84.4 | Confident | 78 Ų | 78 | 51.8 Ų | 51.8 | 36% | 0.364 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.4 | -47.1 | 176.9 | -73.6 | 175 | 162 | 0 | 0 | 112.3 | K2167 L2173 V2174 S2175 | K2167-E2171 HydrophobicContact CD-CG 4.42Å; K2167-E2171 IonicContact NZ-OE1 2.95Å; K2167-E2171 PolarHBondContact NZ-OE1 3.1Å; K2167-E2171 PolarHBondContact O-N 3.27Å; E2171-L2173 PolarHBondContact O-N 3.44Å; E2171-V2174 PolarHBondContact O-N 3.08Å; E2171-S2175 PolarHBondContact O-N 3.37Å; E2171-S2175 PolarHBondContact O-OG 3.1Å |
| 2172 | Y | 82 | Confident | 84.2 | Confident | 149 Ų | 149 | 52.4 Ų | 52.4 | 58% | 0.584 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -56.8 | -52.2 | 177.7 | 179.6 | -89.7 | 0 | 0 | 0 | 111.6 | P2168 K2169 V2174 S2175 E2176 | P2168-Y2172 WeakPolarHBondContact O-CB 3.4Å; P2168-Y2172 PolarHBondContact O-N 2.88Å; P2168-Y2172 VanDerWaalsContact O-N 3.09Å; K2169-Y2172 PolarHBondContact O-N 3.49Å; Y2172-V2174 VanDerWaalsContact C-N 3.34Å; Y2172-V2174 PolarHBondContact O-N 3.41Å; Y2172-S2175 PolarHBondContact O-N 3.01Å; Y2172-S2175 VanDerWaalsContact O-N 3.12Å; Y2172-S2175 PolarHBondContact O-OG 2.96Å; Y2172-E2176 VanDerWaalsContact CE1-OE2 3.28Å; Y2172-E2176 WeakPolarHBondContact CE1-OE2 3.49Å; Y2172-E2176 PolarHBondContact O-N 3.41Å |
| 2173 | L | 82.4 | Confident | 84.2 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.5 | -32 | -179.4 | -70.4 | 172.7 | 0 | 0 | 0 | 113.5 | R2113 I2116 V2117 K2169 S2170 E2171 H2177 | R2113-L2173 HydrophobicContact CB-CD1 4.46Å; I2116-L2173 HydrophobicContact CB-CD1 3.62Å; I2116-L2173 HydrophobicContact CG2-CD1 3.57Å; V2117-L2173 HydrophobicContact CG2-CB 3.9Å; V2117-L2173 HydrophobicContact CG2-CD1 4.21Å; K2169-L2173 WeakPolarHBondContact O-CG 3.45Å; K2169-L2173 PolarHBondContact O-N 3.38Å; S2170-L2173 PolarHBondContact O-N 2.97Å; E2171-L2173 PolarHBondContact O-N 3.44Å; L2173-H2177 PolarHBondContact O-N 2.87Å |
| 2174 | V | 85.2 | Confident | 84 | Confident | 4 Ų | 4 | 53.9 Ų | 53.9 | 2% | 0.024 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69.3 | -37 | 172.6 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | V2117 S2170 E2171 Y2172 H2177 E2178 F2181 L2194 L2198 | V2117-V2174 HydrophobicContact CG1-CG2 3.84Å; S2170-V2174 WeakPolarHBondContact O-CB 3.27Å; S2170-V2174 VanDerWaalsContact O-CG2 3.26Å; S2170-V2174 WeakPolarHBondContact O-CG2 3.49Å; S2170-V2174 PolarHBondContact O-N 3.06Å; E2171-V2174 PolarHBondContact O-N 3.08Å; Y2172-V2174 VanDerWaalsContact C-N 3.34Å; Y2172-V2174 PolarHBondContact O-N 3.41Å; V2174-H2177 CarbonylContact O-C 3.53Å; V2174-H2177 PolarHBondContact O-N 3.25Å; V2174-E2178 WeakPolarHBondContact O-CA 3.31Å; V2174-E2178 PolarHBondContact O-N 3.38Å; V2174-F2181 HydrophobicContact CB-CD2 4.3Å; V2174-F2181 HydrophobicContact CB-CE2 4.35Å; V2174-F2181 HydrophobicContact CG1-CD2 4.05Å; V2174-F2181 HydrophobicContact CG2-CD2 4.19Å; V2174-F2181 HydrophobicContact CG2-CE2 3.98Å; V2174-F2181 HydrophobicContact CG2-CZ 4.39Å; V2174-L2194 HydrophobicContact CG2-CD2 3.86Å; V2174-L2194 HydrophobicContact CG2-CG 4.34Å; V2174-L2198 HydrophobicContact CG2-CD1 4.09Å |
| 2175 | S | 82.1 | Confident | 83.9 | Confident | 74 Ų | 74 | 57.1 Ų | 57.1 | 52% | 0.517 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -72.1 | -36.4 | 175.2 | 72.1 | 0 | 0 | 0 | 0 | 113.6 | E2171 Y2172 H2177 | E2171-S2175 PolarHBondContact O-N 3.37Å; E2171-S2175 PolarHBondContact O-OG 3.1Å; Y2172-S2175 PolarHBondContact O-N 3.01Å; Y2172-S2175 VanDerWaalsContact O-N 3.12Å; Y2172-S2175 PolarHBondContact O-OG 2.96Å; S2175-H2177 PolarHBondContact O-N 3.5Å; S2175-H2177 VanDerWaalsContact O-N 3.16Å |
| 2176 | E | 77.8 | Confident | 83.8 | Confident | 83 Ų | 83 | 62.3 Ų | 62.3 | 39% | 0.388 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -62.2 | -20.8 | 174.1 | -165.6 | -176.7 | 166.4 | 0 | 0 | 111.9 | R2113 Y2172 | R2113-E2176 IonicContact CZ-OE1 3.91Å; R2113-E2176 IonicContact NH1-OE1 3.24Å; R2113-E2176 PolarHBondContact NH1-OE1 3.47Å; R2113-E2176 IonicContact NH1-OE2 2.61Å; R2113-E2176 PolarHBondContact NH1-OE2 3.43Å; R2113-E2176 VanDerWaalsContact NH1-OE2 3.14Å; Y2172-E2176 VanDerWaalsContact CE1-OE2 3.28Å; Y2172-E2176 WeakPolarHBondContact CE1-OE2 3.49Å; Y2172-E2176 PolarHBondContact O-N 3.41Å |
| 2177 | H | 80.4 | Confident | 83.6 | Confident | 28 Ų | 28 | 67.5 Ų | 67.5 | 13% | 0.13 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -132.3 | 29.6 | -175.4 | -58.4 | -26.4 | 0 | 0 | 0 | 113.2 | L2173 V2174 S2175 N2179 F2180 F2181 | L2173-H2177 PolarHBondContact O-N 2.87Å; V2174-H2177 CarbonylContact O-C 3.53Å; V2174-H2177 PolarHBondContact O-N 3.25Å; S2175-H2177 PolarHBondContact O-N 3.5Å; S2175-H2177 VanDerWaalsContact O-N 3.16Å; H2177-N2179 VanDerWaalsContact C-N 3.33Å; H2177-N2179 PolarHBondContact O-N 3.21Å; H2177-N2179 VanDerWaalsContact O-N 3.17Å; H2177-F2180 WeakPolarHBondContact O-CB 3.37Å; H2177-F2180 PolarHBondContact O-N 3Å; H2177-F2181 HydrophobicContact CB-CD2 4.25Å; H2177-F2181 HydrophobicContact CB-CE2 3.94Å; H2177-F2181 WeakPolarHBondContact O-CD2 3.49Å; H2177-F2181 PolarHBondContact O-N 3.16Å |
| 2178 | E | 81 | Confident | 83.5 | Confident | 109 Ų | 109 | 69.4 Ų | 69.4 | 51% | 0.509 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -55.3 | -42.3 | -167.3 | -166.7 | -172.8 | 158 | 0 | 0 | 113.9 | V2174 F2180 F2181 N2182 | V2174-E2178 WeakPolarHBondContact O-CA 3.31Å; V2174-E2178 PolarHBondContact O-N 3.38Å; E2178-F2180 VanDerWaalsContact C-N 3.3Å; E2178-F2180 PolarHBondContact O-N 3.12Å; E2178-F2181 PolarHBondContact O-N 3.2Å; E2178-N2182 PolarHBondContact O-N 2.81Å; E2178-N2182 PolarHBondContact OE1-ND2 2.93Å |
| 2179 | N | 80.4 | Confident | 83.5 | Confident | 133 Ų | 133 | 69.1 Ų | 69.1 | 71% | 0.711 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -55.7 | -43.2 | 178.9 | -66.5 | -16 | 0 | 0 | 0 | 112.4 | H2177 N2182 E2183 | H2177-N2179 VanDerWaalsContact C-N 3.33Å; H2177-N2179 PolarHBondContact O-N 3.21Å; H2177-N2179 VanDerWaalsContact O-N 3.17Å; N2179-N2182 PolarHBondContact O-N 2.95Å; N2179-E2183 PolarHBondContact O-N 3.47Å |
| 2180 | F | 84.1 | Confident | 83.7 | Confident | 39 Ų | 39 | 66 Ų | 66 | 17% | 0.171 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | -178.5 | 172.3 | -94.1 | 0 | 0 | 0 | 111.6 | M2104 L2106 H2177 E2178 E2183 I2184 | M2104-F2180 HydrophobicContact CE-CE2 3.42Å; M2104-F2180 VanDerWaalsContact CE-CE2 3.42Å; M2104-F2180 HydrophobicContact CE-CZ 3.5Å; M2104-F2180 VanDerWaalsContact CE-CZ 3.5Å; L2106-F2180 HydrophobicContact CD2-CE1 4.47Å; L2106-F2180 HydrophobicContact CD2-CZ 3.75Å; H2177-F2180 WeakPolarHBondContact O-CB 3.37Å; H2177-F2180 PolarHBondContact O-N 3Å; E2178-F2180 VanDerWaalsContact C-N 3.3Å; E2178-F2180 PolarHBondContact O-N 3.12Å; F2180-E2183 PolarHBondContact O-N 3.21Å; F2180-I2184 HydrophobicContact CD1-CD1 3.97Å; F2180-I2184 HydrophobicContact CE1-CD1 3.55Å; F2180-I2184 HydrophobicContact CE2-CD1 4.47Å; F2180-I2184 HydrophobicContact CZ-CD1 3.84Å; F2180-I2184 PolarHBondContact O-N 3.11Å |
| 2181 | F | 86.8 | Confident | 83.5 | Confident | 13 Ų | 13 | 77 Ų | 77 | 6% | 0.057 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -72.5 | -29.4 | 177.1 | -66.1 | -66.8 | 0 | 0 | 0 | 112.8 | I2101 V2117 V2174 H2177 E2178 R2185 L2194 | I2101-F2181 HydrophobicContact CD1-CE1 3.9Å; V2117-F2181 HydrophobicContact CG1-CE1 4.45Å; V2117-F2181 HydrophobicContact CG1-CZ 4.14Å; V2117-F2181 HydrophobicContact CG2-CZ 4.24Å; V2174-F2181 HydrophobicContact CB-CD2 4.3Å; V2174-F2181 HydrophobicContact CB-CE2 4.35Å; V2174-F2181 HydrophobicContact CG1-CD2 4.05Å; V2174-F2181 HydrophobicContact CG2-CD2 4.19Å; V2174-F2181 HydrophobicContact CG2-CE2 3.98Å; V2174-F2181 HydrophobicContact CG2-CZ 4.39Å; H2177-F2181 HydrophobicContact CB-CD2 4.25Å; H2177-F2181 HydrophobicContact CB-CE2 3.94Å; H2177-F2181 WeakPolarHBondContact O-CD2 3.49Å; H2177-F2181 PolarHBondContact O-N 3.16Å; E2178-F2181 PolarHBondContact O-N 3.2Å; F2181-R2185 VanDerWaalsContact O-CB 3.3Å; F2181-R2185 WeakPolarHBondContact O-CB 3.31Å; F2181-R2185 PolarHBondContact O-N 3.02Å; F2181-L2194 HydrophobicContact CB-CD2 4.31Å; F2181-L2194 HydrophobicContact CD1-CD2 3.37Å; F2181-L2194 HydrophobicContact CD2-CD2 4.46Å; F2181-L2194 HydrophobicContact CE1-CD2 3.68Å; F2181-L2194 HydrophobicContact CG-CD2 3.81Å; F2181-L2194 HydrophobicContact CZ-CD2 4.35Å |
| 2182 | N | 83.2 | Confident | 83.5 | Confident | 35 Ų | 35 | 76.5 Ų | 76.5 | 19% | 0.187 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -72.3 | -27.7 | 173.2 | -90.3 | -48 | 0 | 0 | 0 | 113.5 | E2178 N2179 R2185 Q2186 | E2178-N2182 PolarHBondContact O-N 2.81Å; E2178-N2182 PolarHBondContact OE1-ND2 2.93Å; N2179-N2182 PolarHBondContact O-N 2.95Å; N2182-R2185 PolarHBondContact OD1-NH1 3.02Å; N2182-Q2186 WeakPolarHBondContact O-CG 3.49Å; N2182-Q2186 PolarHBondContact O-N 2.67Å; N2182-Q2186 PolarHBondContact O-NE2 2.93Å; N2182-Q2186 VanDerWaalsContact O-NE2 3.13Å |
| 2183 | E | 84.1 | Confident | 83.9 | Confident | 111 Ų | 111 | 71 Ų | 71 | 52% | 0.519 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -68.4 | -47.4 | 168.3 | -77 | -173.3 | -159.3 | 0 | 0 | 112 | N2179 F2180 R2185 Q2186 K2187 | N2179-E2183 PolarHBondContact O-N 3.47Å; F2180-E2183 PolarHBondContact O-N 3.21Å; E2183-R2185 VanDerWaalsContact C-N 3.3Å; E2183-R2185 PolarHBondContact O-N 3.38Å; E2183-Q2186 PolarHBondContact O-N 2.94Å; E2183-Q2186 VanDerWaalsContact O-N 3.13Å; E2183-K2187 WeakPolarHBondContact O-CG 3.46Å; E2183-K2187 PolarHBondContact O-N 3.23Å; E2183-K2187 IonicContact OE2-NZ 2.87Å |
| 2184 | I | 87.2 | Confident | 84.3 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60 | -43.3 | 178.5 | -66.8 | 166.2 | 0 | 0 | 0 | 110.4 | Y2097 T2100 I2101 M2104 F2180 Q2186 K2187 L2188 | Y2097-I2184 HydrophobicContact CD1-CB 4.32Å; Y2097-I2184 HydrophobicContact CD1-CG2 3.56Å; Y2097-I2184 HydrophobicContact CE1-CB 4.3Å; Y2097-I2184 HydrophobicContact CE1-CG2 3.9Å; Y2097-I2184 HydrophobicContact CG-CG2 4.39Å; T2100-I2184 HydrophobicContact CG2-CG2 4.02Å; I2101-I2184 HydrophobicContact CD1-CD1 4.19Å; I2101-I2184 HydrophobicContact CG1-CD1 3.79Å; M2104-I2184 HydrophobicContact CE-CD1 4.22Å; F2180-I2184 HydrophobicContact CD1-CD1 3.97Å; F2180-I2184 HydrophobicContact CE1-CD1 3.55Å; F2180-I2184 HydrophobicContact CE2-CD1 4.47Å; F2180-I2184 HydrophobicContact CZ-CD1 3.84Å; F2180-I2184 PolarHBondContact O-N 3.11Å; I2184-Q2186 VanDerWaalsContact C-N 3.32Å; I2184-Q2186 PolarHBondContact O-N 3.08Å; I2184-K2187 PolarHBondContact O-N 2.94Å; I2184-L2188 HydrophobicContact CG2-CD1 3.8Å; I2184-L2188 HydrophobicContact CG2-CG 4.46Å; I2184-L2188 WeakPolarHBondContact O-CB 3.28Å; I2184-L2188 WeakPolarHBondContact O-CG 3.48Å; I2184-L2188 PolarHBondContact O-N 3.28Å |
| 2185 | R | 88.1 | Confident | 84.4 | Confident | 71 Ų | 71 | 73.1 Ų | 73.1 | 27% | 0.268 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -53.1 | -45.8 | 172.7 | -178 | -172.8 | 170 | -154.9 | -1.2 | 113 | Y2097 F2181 N2182 E2183 L2188 G2189 H2190 R2191 L2192 | Y2097-R2185 HydrophobicContact CE1-CB 4.46Å; Y2097-R2185 VanDerWaalsContact OH-CB 3.28Å; Y2097-R2185 WeakPolarHBondContact OH-CB 3.33Å; F2181-R2185 VanDerWaalsContact O-CB 3.3Å; F2181-R2185 WeakPolarHBondContact O-CB 3.31Å; F2181-R2185 PolarHBondContact O-N 3.02Å; N2182-R2185 PolarHBondContact OD1-NH1 3.02Å; E2183-R2185 VanDerWaalsContact C-N 3.3Å; E2183-R2185 PolarHBondContact O-N 3.38Å; R2185-L2188 PolarHBondContact O-N 2.66Å; R2185-G2189 PolarHBondContact O-N 3.03Å; R2185-G2189 VanDerWaalsContact O-N 3.12Å; R2185-H2190 HydrophobicContact CG-CB 4.31Å; R2185-H2190 VanDerWaalsContact CG-O 3.24Å; R2185-H2190 WeakPolarHBondContact CG-O 3.45Å; R2185-H2190 PolarHBondContact NE-O 3.1Å; R2185-H2190 PolarHBondContact O-N 3.44Å; R2185-R2191 PolarHBondContact NH2-O 3.14Å; R2185-L2192 PolarHBondContact NE-O 2.86Å |
| 2186 | Q | 81.8 | Confident | 84.8 | Confident | 149 Ų | 149 | 73.1 Ų | 73.1 | 70% | 0.696 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | 179.7 | -76.3 | 173.8 | 70.3 | 0 | 0 | 111.4 | N2182 E2183 I2184 L2188 G2189 | N2182-Q2186 WeakPolarHBondContact O-CG 3.49Å; N2182-Q2186 PolarHBondContact O-N 2.67Å; N2182-Q2186 PolarHBondContact O-NE2 2.93Å; N2182-Q2186 VanDerWaalsContact O-NE2 3.13Å; E2183-Q2186 PolarHBondContact O-N 2.94Å; E2183-Q2186 VanDerWaalsContact O-N 3.13Å; I2184-Q2186 VanDerWaalsContact C-N 3.32Å; I2184-Q2186 PolarHBondContact O-N 3.08Å; Q2186-L2188 VanDerWaalsContact C-N 3.28Å; Q2186-L2188 PolarHBondContact O-N 3.03Å; Q2186-G2189 PolarHBondContact O-N 3.46Å; Q2186-G2189 VanDerWaalsContact O-N 3.11Å |
| 2187 | K | 83.9 | Confident | 85.5 | Confident | 139 Ų | 139 | 69.4 Ų | 69.4 | 60% | 0.604 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -58.3 | -39.3 | 174.6 | -68.9 | 170.4 | -176.5 | 168.7 | 0 | 112.1 | E2183 I2184 | E2183-K2187 WeakPolarHBondContact O-CG 3.46Å; E2183-K2187 PolarHBondContact O-N 3.23Å; E2183-K2187 IonicContact OE2-NZ 2.87Å; I2184-K2187 PolarHBondContact O-N 2.94Å |
| 2188 | L | 86.7 | Confident | 86.2 | Confident | 50 Ų | 50 | 68.1 Ų | 68.1 | 26% | 0.262 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -4.7 | 177.9 | -72.5 | 172.1 | 0 | 0 | 0 | 114.7 | Y2097 I2184 R2185 Q2186 H2190 | Y2097-L2188 HydrophobicContact CD2-CD1 4.32Å; Y2097-L2188 HydrophobicContact CG-CD1 4.27Å; I2184-L2188 HydrophobicContact CG2-CD1 3.8Å; I2184-L2188 HydrophobicContact CG2-CG 4.46Å; I2184-L2188 WeakPolarHBondContact O-CB 3.28Å; I2184-L2188 WeakPolarHBondContact O-CG 3.48Å; I2184-L2188 PolarHBondContact O-N 3.28Å; R2185-L2188 PolarHBondContact O-N 2.66Å; Q2186-L2188 VanDerWaalsContact C-N 3.28Å; Q2186-L2188 PolarHBondContact O-N 3.03Å; L2188-H2190 HydrophobicContact CB-CB 4.42Å; L2188-H2190 PolarHBondContact O-CE1 3.22Å; L2188-H2190 PolarHBondContact O-N 2.83Å; L2188-H2190 VanDerWaalsContact O-N 3.15Å; L2188-H2190 PolarHBondContact O-ND1 3.4Å |
| 2189 | G | 83.3 | Confident | 86.8 | Confident | 62 Ų | 62 | 65.8 Ų | 65.8 | 64% | 0.639 | 33% | 0.327 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 20.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R2185 Q2186 | R2185-G2189 PolarHBondContact O-N 3.03Å; R2185-G2189 VanDerWaalsContact O-N 3.12Å; Q2186-G2189 PolarHBondContact O-N 3.46Å; Q2186-G2189 VanDerWaalsContact O-N 3.11Å |
| 2190 | H | 86.5 | Confident | 87.4 | Confident | 44 Ų | 44 | 61.1 Ų | 61.1 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | trans | -78.6 | 123.5 | -173 | -75.3 | 10.5 | 0 | 0 | 0 | 111.4 | S2092 Y2097 R2185 L2188 | S2092-H2190 PolarHBondContact O-NE2 3Å; Y2097-H2190 AromaticContact CE2-CD2 3.77Å; R2185-H2190 HydrophobicContact CG-CB 4.31Å; R2185-H2190 VanDerWaalsContact CG-O 3.24Å; R2185-H2190 WeakPolarHBondContact CG-O 3.45Å; R2185-H2190 PolarHBondContact NE-O 3.1Å; R2185-H2190 PolarHBondContact O-N 3.44Å; L2188-H2190 HydrophobicContact CB-CB 4.42Å; L2188-H2190 PolarHBondContact O-CE1 3.22Å; L2188-H2190 PolarHBondContact O-N 2.83Å; L2188-H2190 VanDerWaalsContact O-N 3.15Å; L2188-H2190 PolarHBondContact O-ND1 3.4Å | ||
| 2191 | R | 82.7 | Confident | 87.9 | Confident | 232 Ų | 232 | 59.3 Ų | 59.3 | 88% | 0.875 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -67.2 | -45.3 | -174.4 | -61.2 | -174.8 | -173.7 | -133.6 | 1 | 112.4 | R2185 | R2185-R2191 PolarHBondContact NH2-O 3.14Š|
| 2192 | L | 84.7 | Confident | 88.2 | Confident | 66 Ų | 66 | 60.2 Ų | 60.2 | 35% | 0.346 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -77.6 | 154.3 | 178.7 | -66.4 | 179.3 | 0 | 0 | 0 | 111.4 | R2185 D2196 L2197 K2200 | R2185-L2192 PolarHBondContact NE-O 2.86Å; L2192-D2196 HydrophobicContact CB-CB 4Å; L2192-D2196 HydrophobicContact CD2-CB 4.14Å; L2192-D2196 HydrophobicContact CG-CB 4.47Å; L2192-L2197 HydrophobicContact CB-CD1 4.41Å; L2192-L2197 HydrophobicContact CB-CG 4.06Å; L2192-L2197 HydrophobicContact CD1-CD2 4.27Å; L2192-L2197 HydrophobicContact CD1-CG 4.48Å; L2192-K2200 VanDerWaalsContact CD1-CE 3.42Å |
| 2193 | T | 89.2 | Confident | 88.6 | Confident | 33 Ų | 33 | 63.1 Ų | 63.1 | 20% | 0.202 | 31% | 0.312 | C | S | . | . | trans | -75.1 | 164.1 | 167.8 | 68.2 | 0 | 0 | 0 | 0 | 110.9 | T2195 D2196 L2197 | T2193-T2195 PolarHBondContact O-N 3.18Å; T2193-T2195 PolarHBondContact OG1-N 3.07Å; T2193-D2196 VanDerWaalsContact CB-OD2 3.31Å; T2193-D2196 WeakPolarHBondContact CB-OD2 3.48Å; T2193-D2196 WeakPolarHBondContact CG2-OD2 3.49Å; T2193-D2196 PolarHBondContact N-OD2 3.29Å; T2193-D2196 PolarHBondContact O-N 3.28Å; T2193-D2196 PolarHBondContact OG1-N 3.33Å; T2193-D2196 VanDerWaalsContact OG1-N 3.08Å; T2193-D2196 PolarHBondContact OG1-OD2 2.91Å; T2193-L2197 WeakPolarHBondContact O-CG 3.33Å; T2193-L2197 PolarHBondContact O-N 2.93Å | ||
| 2194 | L | 91.2 | Very high | 89.2 | Confident | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.3 | -33.8 | 170.9 | -178 | 56.9 | 0 | 0 | 0 | 111.5 | I2093 Y2097 V2117 F2118 V2174 F2181 L2197 L2198 | I2093-L2194 HydrophobicContact CG2-CD1 4.38Å; Y2097-L2194 HydrophobicContact CD1-CD1 4.29Å; Y2097-L2194 HydrophobicContact CD1-CD2 4.25Å; Y2097-L2194 HydrophobicContact CD2-CD1 4.06Å; Y2097-L2194 HydrophobicContact CE1-CB 3.98Å; Y2097-L2194 HydrophobicContact CE1-CD1 4.46Å; Y2097-L2194 HydrophobicContact CE1-CD2 4.39Å; Y2097-L2194 HydrophobicContact CE2-CB 4.45Å; Y2097-L2194 HydrophobicContact CE2-CD1 4.22Å; Y2097-L2194 HydrophobicContact CG-CD1 4.08Å; Y2097-L2194 PolarHBondContact OH-N 3.05Å; V2117-L2194 HydrophobicContact CG1-CD2 4.29Å; F2118-L2194 HydrophobicContact CE1-CD1 3.94Å; F2118-L2194 HydrophobicContact CE1-CD2 4.19Å; F2118-L2194 HydrophobicContact CZ-CD2 4.25Å; V2174-L2194 HydrophobicContact CG2-CD2 3.86Å; V2174-L2194 HydrophobicContact CG2-CG 4.34Å; F2181-L2194 HydrophobicContact CB-CD2 4.31Å; F2181-L2194 HydrophobicContact CD1-CD2 3.37Å; F2181-L2194 HydrophobicContact CD2-CD2 4.46Å; F2181-L2194 HydrophobicContact CE1-CD2 3.68Å; F2181-L2194 HydrophobicContact CG-CD2 3.81Å; F2181-L2194 HydrophobicContact CZ-CD2 4.35Å; L2194-L2197 PolarHBondContact O-N 3.33Å; L2194-L2198 HydrophobicContact CD1-CD1 4.05Å; L2194-L2198 HydrophobicContact CD1-CD2 4.29Å; L2194-L2198 HydrophobicContact CD1-CG 3.83Å; L2194-L2198 HydrophobicContact CD2-CD1 4.41Å; L2194-L2198 HydrophobicContact CG-CD1 3.8Å; L2194-L2198 HydrophobicContact CG-CG 4.1Å; L2194-L2198 WeakPolarHBondContact O-CB 3.15Å; L2194-L2198 VanDerWaalsContact O-CG 3.26Å; L2194-L2198 WeakPolarHBondContact O-CG 3.34Å; L2194-L2198 PolarHBondContact O-N 2.71Å |
| 2195 | T | 87.6 | Confident | 89.5 | Confident | 60 Ų | 60 | 58.6 Ų | 58.6 | 37% | 0.368 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | 175.7 | -47 | 0 | 0 | 0 | 0 | 112.1 | T2193 L2197 I2199 | T2193-T2195 PolarHBondContact O-N 3.18Å; T2193-T2195 PolarHBondContact OG1-N 3.07Å; T2195-L2197 VanDerWaalsContact C-N 3.28Å; T2195-L2197 PolarHBondContact O-N 3.21Å; T2195-I2199 PolarHBondContact O-N 2.95Å |
| 2196 | D | 90.6 | Very high | 89.7 | Confident | 74 Ų | 74 | 60.1 Ų | 60.1 | 40% | 0.396 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.1 | -28.5 | 175.7 | -57.7 | -49.7 | 0 | 0 | 0 | 112.9 | L2192 T2193 I2199 | L2192-D2196 HydrophobicContact CB-CB 4Å; L2192-D2196 HydrophobicContact CD2-CB 4.14Å; L2192-D2196 HydrophobicContact CG-CB 4.47Å; T2193-D2196 VanDerWaalsContact CB-OD2 3.31Å; T2193-D2196 WeakPolarHBondContact CB-OD2 3.48Å; T2193-D2196 WeakPolarHBondContact CG2-OD2 3.49Å; T2193-D2196 PolarHBondContact N-OD2 3.29Å; T2193-D2196 PolarHBondContact O-N 3.28Å; T2193-D2196 PolarHBondContact OG1-N 3.33Å; T2193-D2196 VanDerWaalsContact OG1-N 3.08Å; T2193-D2196 PolarHBondContact OG1-OD2 2.91Å; D2196-I2199 WeakPolarHBondContact O-CG2 3.26Å |
| 2197 | L | 92.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 58.3 Ų | 58.3 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.4 | -47.8 | 177.7 | -78.7 | 161.8 | 0 | 0 | 0 | 111.3 | I2093 Y2097 L2192 T2193 L2194 T2195 I2199 K2200 | I2093-L2197 HydrophobicContact CD1-CB 3.83Å; I2093-L2197 HydrophobicContact CG1-CB 3.79Å; I2093-L2197 HydrophobicContact CG1-CD1 4.45Å; I2093-L2197 HydrophobicContact CG1-CD2 4.21Å; I2093-L2197 HydrophobicContact CG1-CG 4.39Å; Y2097-L2197 HydrophobicContact CD2-CD1 4.26Å; Y2097-L2197 HydrophobicContact CE2-CD1 3.54Å; L2192-L2197 HydrophobicContact CB-CD1 4.41Å; L2192-L2197 HydrophobicContact CB-CG 4.06Å; L2192-L2197 HydrophobicContact CD1-CD2 4.27Å; L2192-L2197 HydrophobicContact CD1-CG 4.48Å; T2193-L2197 WeakPolarHBondContact O-CG 3.33Å; T2193-L2197 PolarHBondContact O-N 2.93Å; L2194-L2197 PolarHBondContact O-N 3.33Å; T2195-L2197 VanDerWaalsContact C-N 3.28Å; T2195-L2197 PolarHBondContact O-N 3.21Å; L2197-I2199 PolarHBondContact O-N 3.39Å; L2197-I2199 VanDerWaalsContact O-N 3.17Å; L2197-K2200 HydrophobicContact CD2-CD 4.21Å; L2197-K2200 WeakPolarHBondContact O-CB 3.19Å; L2197-K2200 WeakPolarHBondContact O-CG 3.42Å; L2197-K2200 PolarHBondContact O-N 3.14Å; L2197-K2200 VanDerWaalsContact O-N 3.14Å |
| 2198 | L | 93.4 | Very high | 90.8 | Very high | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.6 | -22 | -178.2 | -71.2 | 171.7 | 0 | 0 | 0 | 113.4 | I2093 F2118 I2121 Y2163 K2167 V2174 L2194 K2200 P2201 | I2093-L2198 HydrophobicContact CG2-CD2 4.49Å; F2118-L2198 HydrophobicContact CD1-CD2 4.37Å; I2121-L2198 HydrophobicContact CD1-CD2 4.18Å; Y2163-L2198 WeakPolarHBondContact CE1-O 3.38Å; Y2163-L2198 WeakPolarHBondContact OH-CA 3.43Å; Y2163-L2198 WeakPolarHBondContact OH-CD2 3.38Å; Y2163-L2198 PolarHBondContact OH-O 2.83Å; K2167-L2198 HydrophobicContact CD-CB 4.33Å; K2167-L2198 WeakPolarHBondContact CE-O 3.34Å; V2174-L2198 HydrophobicContact CG2-CD1 4.09Å; L2194-L2198 HydrophobicContact CD1-CD1 4.05Å; L2194-L2198 HydrophobicContact CD1-CD2 4.29Å; L2194-L2198 HydrophobicContact CD1-CG 3.83Å; L2194-L2198 HydrophobicContact CD2-CD1 4.41Å; L2194-L2198 HydrophobicContact CG-CD1 3.8Å; L2194-L2198 HydrophobicContact CG-CG 4.1Å; L2194-L2198 WeakPolarHBondContact O-CB 3.15Å; L2194-L2198 VanDerWaalsContact O-CG 3.26Å; L2194-L2198 WeakPolarHBondContact O-CG 3.34Å; L2194-L2198 PolarHBondContact O-N 2.71Å; L2198-K2200 VanDerWaalsContact C-N 3.34Å; L2198-P2201 WeakPolarHBondContact O-CD 3.34Å |
| 2199 | I | 93.9 | Very high | 91.1 | Very high | 61 Ų | 61 | 51.3 Ų | 51.3 | 31% | 0.313 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -16.3 | 178.1 | -163.4 | 165.8 | 0 | 0 | 0 | 113.4 | T2195 D2196 L2197 V2202 Q2203 | T2195-I2199 PolarHBondContact O-N 2.95Å; D2196-I2199 WeakPolarHBondContact O-CG2 3.26Å; L2197-I2199 PolarHBondContact O-N 3.39Å; L2197-I2199 VanDerWaalsContact O-N 3.17Å; I2199-V2202 WeakPolarHBondContact O-CB 3.33Å; I2199-V2202 PolarHBondContact O-N 3.09Å; I2199-V2202 VanDerWaalsContact O-N 3.17Å; I2199-Q2203 HydrophobicContact CG1-CG 4.34Å; I2199-Q2203 PolarHBondContact O-N 2.95Å; I2199-Q2203 VanDerWaalsContact O-N 3.13Å |
| 2200 | K | 93.6 | Very high | 91.5 | Very high | 35 Ų | 35 | 53.3 Ų | 53.3 | 15% | 0.152 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -60.2 | -38.3 | -174.6 | -65.1 | 172.5 | 177.8 | -85.1 | 0 | 115 | Y2086 D2089 L2192 L2197 L2198 V2202 Q2203 R2204 | Y2086-K2200 HydrophobicContact CD2-CB 4.44Å; Y2086-K2200 HydrophobicContact CE2-CB 4.25Å; D2089-K2200 HydrophobicContact CB-CD 3.51Å; D2089-K2200 VanDerWaalsContact CG-CD 3.41Å; D2089-K2200 WeakPolarHBondContact OD1-CE 3.38Å; D2089-K2200 IonicContact OD1-NZ 3.39Å; D2089-K2200 PolarHBondContact OD1-NZ 3.31Å; D2089-K2200 WeakPolarHBondContact OD2-CD 3.45Å; D2089-K2200 WeakPolarHBondContact OD2-CE 3.5Å; D2089-K2200 IonicContact OD2-NZ 2.9Å; D2089-K2200 PolarHBondContact OD2-NZ 3.17Å; L2192-K2200 VanDerWaalsContact CD1-CE 3.42Å; L2197-K2200 HydrophobicContact CD2-CD 4.21Å; L2197-K2200 WeakPolarHBondContact O-CB 3.19Å; L2197-K2200 WeakPolarHBondContact O-CG 3.42Å; L2197-K2200 PolarHBondContact O-N 3.14Å; L2197-K2200 VanDerWaalsContact O-N 3.14Å; L2198-K2200 VanDerWaalsContact C-N 3.34Å; K2200-V2202 VanDerWaalsContact C-N 3.34Å; K2200-V2202 PolarHBondContact O-N 3.26Å; K2200-Q2203 PolarHBondContact O-N 3.34Å; K2200-R2204 PolarHBondContact O-N 3.39Å |
| 2201 | P | 95.6 | Very high | 92 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -39.9 | 175.5 | -23.6 | 34.6 | 0 | 0 | 0 | 113.2 | Y2086 L2090 I2121 I2124 Y2160 Y2163 L2198 Q2203 R2204 I2205 | Y2086-P2201 WeakPolarHBondContact OH-CA 3.4Å; Y2086-P2201 WeakPolarHBondContact OH-CB 3.12Å; L2090-P2201 HydrophobicContact CD2-CG 4.06Å; I2121-P2201 HydrophobicContact CD1-CG 4.04Å; I2121-P2201 HydrophobicContact CG1-CG 4.39Å; I2124-P2201 HydrophobicContact CD1-CB 4.27Å; Y2160-P2201 HydrophobicContact CD1-CB 4.07Å; Y2160-P2201 WeakPolarHBondContact CD1-O 3.24Å; Y2160-P2201 HydrophobicContact CE1-CB 3.74Å; Y2160-P2201 VanDerWaalsContact CE1-O 3.29Å; Y2160-P2201 WeakPolarHBondContact CE1-O 3.43Å; Y2163-P2201 HydrophobicContact CD1-CB 3.77Å; Y2163-P2201 HydrophobicContact CD1-CG 4.15Å; Y2163-P2201 HydrophobicContact CE1-CB 3.72Å; Y2163-P2201 HydrophobicContact CE1-CG 3.63Å; L2198-P2201 WeakPolarHBondContact O-CD 3.34Å; P2201-Q2203 VanDerWaalsContact C-N 3.32Å; P2201-Q2203 PolarHBondContact O-N 3.02Å; P2201-R2204 PolarHBondContact O-N 3.41Å; P2201-I2205 PolarHBondContact O-N 3.39Å; P2201-I2205 VanDerWaalsContact O-N 3.09Å |
| 2202 | V | 91.7 | Very high | 92.6 | Very high | 33 Ų | 33 | 41 Ų | 41 | 20% | 0.2 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.7 | -41.1 | 176.4 | -168.4 | 0 | 0 | 0 | 0 | 110.1 | Y2163 K2167 I2199 K2200 I2205 M2206 | Y2163-V2202 HydrophobicContact CD1-CG2 4.35Å; Y2163-V2202 HydrophobicContact CE1-CG2 4.25Å; K2167-V2202 HydrophobicContact CG-CG2 4.35Å; I2199-V2202 WeakPolarHBondContact O-CB 3.33Å; I2199-V2202 PolarHBondContact O-N 3.09Å; I2199-V2202 VanDerWaalsContact O-N 3.17Å; K2200-V2202 VanDerWaalsContact C-N 3.34Å; K2200-V2202 PolarHBondContact O-N 3.26Å; V2202-I2205 WeakPolarHBondContact O-CG2 3.31Å; V2202-M2206 HydrophobicContact CG1-SD 4.46Å; V2202-M2206 VanDerWaalsContact O-CG 3.31Å; V2202-M2206 WeakPolarHBondContact O-CG 3.37Å; V2202-M2206 PolarHBondContact O-N 3.44Å |
| 2203 | Q | 92.9 | Very high | 93.1 | Very high | 96 Ų | 96 | 44.2 Ų | 44.2 | 45% | 0.449 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -68 | -38.5 | 175.5 | -65.9 | 175.2 | -5.4 | 0 | 0 | 112.9 | I2199 K2200 P2201 K2207 | I2199-Q2203 HydrophobicContact CG1-CG 4.34Å; I2199-Q2203 PolarHBondContact O-N 2.95Å; I2199-Q2203 VanDerWaalsContact O-N 3.13Å; K2200-Q2203 PolarHBondContact O-N 3.34Å; P2201-Q2203 VanDerWaalsContact C-N 3.32Å; P2201-Q2203 PolarHBondContact O-N 3.02Å; Q2203-K2207 WeakPolarHBondContact O-CG 3.29Å; Q2203-K2207 PolarHBondContact O-N 2.99Å |
| 2204 | R | 96 | Very high | 93.4 | Very high | 13 Ų | 13 | 45.3 Ų | 45.3 | 5% | 0.049 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.4 | -48 | -178.5 | -168.3 | 75.9 | -179.9 | 153.3 | 3.2 | 111.7 | L2079 T2082 E2083 Y2086 K2200 P2201 M2206 K2207 Y2208 | L2079-R2204 PolarHBondContact O-NH2 3.19Å; L2079-R2204 VanDerWaalsContact O-NH2 3.15Å; T2082-R2204 VanDerWaalsContact CB-NH1 3.34Å; T2082-R2204 PolarHBondContact O-NH1 3.01Å; T2082-R2204 PolarHBondContact OG1-NH1 3.19Å; T2082-R2204 PolarHBondContact OG1-NH2 3.42Å; E2083-R2204 VanDerWaalsContact CA-NH2 3.32Å; E2083-R2204 IonicContact OE2-CZ 3.18Å; E2083-R2204 VanDerWaalsContact OE2-CZ 3.22Å; E2083-R2204 IonicContact OE2-NE 2.69Å; E2083-R2204 PolarHBondContact OE2-NE 3.28Å; E2083-R2204 IonicContact OE2-NH2 3.24Å; E2083-R2204 PolarHBondContact OE2-NH2 2.99Å; Y2086-R2204 HydrophobicContact CD1-CB 4.32Å; Y2086-R2204 HydrophobicContact CD1-CG 3.66Å; Y2086-R2204 HydrophobicContact CD2-CB 4.04Å; Y2086-R2204 HydrophobicContact CD2-CG 4.16Å; Y2086-R2204 HydrophobicContact CE1-CB 4.06Å; Y2086-R2204 HydrophobicContact CE1-CG 3.68Å; Y2086-R2204 HydrophobicContact CE2-CB 3.77Å; Y2086-R2204 HydrophobicContact CE2-CG 4.2Å; Y2086-R2204 HydrophobicContact CG-CB 4.3Å; Y2086-R2204 HydrophobicContact CG-CG 3.9Å; K2200-R2204 PolarHBondContact O-N 3.39Å; P2201-R2204 PolarHBondContact O-N 3.41Å; R2204-M2206 PolarHBondContact O-N 3.23Å; R2204-K2207 PolarHBondContact O-N 3.47Å; R2204-Y2208 HydrophobicContact CG-CE1 4.17Å; R2204-Y2208 HydrophobicContact CG-CE2 3.77Å; R2204-Y2208 WeakPolarHBondContact CG-OH 3.46Å; R2204-Y2208 PolarHBondContact NE-OH 3.07Å; R2204-Y2208 PolarHBondContact O-N 3.1Å |
| 2205 | I | 94.4 | Very high | 93.6 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.015 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.4 | -32 | -179.5 | -161.2 | 69.6 | 0 | 0 | 0 | 112.1 | L2157 Y2160 P2201 V2202 Y2208 M2236 V2239 | L2157-I2205 HydrophobicContact CD2-CD1 4.38Å; Y2160-I2205 HydrophobicContact CD1-CB 3.66Å; Y2160-I2205 HydrophobicContact CD1-CD1 4.27Å; Y2160-I2205 HydrophobicContact CD1-CG1 4.16Å; Y2160-I2205 HydrophobicContact CD1-CG2 4.03Å; Y2160-I2205 HydrophobicContact CD2-CD1 3.96Å; Y2160-I2205 HydrophobicContact CE1-CB 4.04Å; Y2160-I2205 HydrophobicContact CE2-CD1 4.31Å; Y2160-I2205 HydrophobicContact CG-CB 4.1Å; Y2160-I2205 HydrophobicContact CG-CD1 3.94Å; Y2160-I2205 HydrophobicContact CG-CG1 4.06Å; P2201-I2205 PolarHBondContact O-N 3.39Å; P2201-I2205 VanDerWaalsContact O-N 3.09Å; V2202-I2205 WeakPolarHBondContact O-CG2 3.31Å; I2205-Y2208 HydrophobicContact CD1-CD2 4.34Å; I2205-M2236 HydrophobicContact CD1-CE 3.63Å; I2205-M2236 HydrophobicContact CD1-SD 4.4Å; I2205-M2236 HydrophobicContact CG1-CE 3.97Å; I2205-M2236 VanDerWaalsContact O-CE 3.25Å; I2205-M2236 WeakPolarHBondContact O-CE 3.37Å; I2205-V2239 HydrophobicContact CD1-CG1 4Å; I2205-V2239 HydrophobicContact CG1-CG1 4.05Å |
| 2206 | M | 90.5 | Very high | 94 | Very high | 104 Ų | 104 | 43 Ų | 43 | 51% | 0.512 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -75.3 | -19 | 173.9 | -68.3 | -179.6 | 74.7 | 0 | 0 | 114.4 | V2202 R2204 Q2209 | V2202-M2206 HydrophobicContact CG1-SD 4.46Å; V2202-M2206 VanDerWaalsContact O-CG 3.31Å; V2202-M2206 WeakPolarHBondContact O-CG 3.37Å; V2202-M2206 PolarHBondContact O-N 3.44Å; R2204-M2206 PolarHBondContact O-N 3.23Å; M2206-Q2209 VanDerWaalsContact O-CG 3.3Å; M2206-Q2209 WeakPolarHBondContact O-CG 3.19Å; M2206-Q2209 PolarHBondContact O-NE2 3.25Å |
| 2207 | K | 92.9 | Very high | 94.2 | Very high | 111 Ų | 111 | 43.3 Ų | 43.3 | 48% | 0.483 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -87.1 | -31.4 | -179.2 | -84.3 | -173.7 | 173.3 | -164.5 | 0 | 114.3 | Q2203 R2204 Q2209 L2210 L2211 | Q2203-K2207 WeakPolarHBondContact O-CG 3.29Å; Q2203-K2207 PolarHBondContact O-N 2.99Å; R2204-K2207 PolarHBondContact O-N 3.47Å; K2207-Q2209 VanDerWaalsContact C-N 3.31Å; K2207-Q2209 PolarHBondContact O-N 3.34Å; K2207-L2210 WeakPolarHBondContact O-CB 3.25Å; K2207-L2210 PolarHBondContact O-N 2.96Å; K2207-L2211 PolarHBondContact O-N 2.89Å |
| 2208 | Y | 96.5 | Very high | 94.3 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.9 | -39.4 | -175.1 | -66.4 | -54.8 | 0 | 0 | 0 | 113.4 | L2079 E2083 H2128 F2132 F2150 R2204 I2205 L2210 L2211 L2212 M2236 | L2079-Y2208 HydrophobicContact CD1-CD1 4.05Å; L2079-Y2208 HydrophobicContact CD1-CE1 4.18Å; E2083-Y2208 PolarHBondContact OE1-OH 3.24Å; E2083-Y2208 WeakPolarHBondContact OE2-CE1 3.32Å; E2083-Y2208 PolarHBondContact OE2-OH 2.94Å; H2128-Y2208 PolarHBondContact CE1-OH 3.18Å; H2128-Y2208 VanDerWaalsContact CE1-OH 3.23Å; F2132-Y2208 HydrophobicContact CE1-CE1 4.37Å; F2150-Y2208 AromaticContact CE1-CD1 3.75Å; F2150-Y2208 HydrophobicContact CE1-CD1 3.75Å; F2150-Y2208 AromaticContact CE1-CD2 3.87Å; F2150-Y2208 HydrophobicContact CE1-CD2 3.87Å; F2150-Y2208 HydrophobicContact CE1-CE1 4.23Å; F2150-Y2208 HydrophobicContact CE1-CE2 4.36Å; F2150-Y2208 AromaticContact CE1-CG 3.53Å; F2150-Y2208 HydrophobicContact CE1-CG 3.53Å; F2150-Y2208 AromaticContact CZ-CD1 3.45Å; F2150-Y2208 HydrophobicContact CZ-CD1 3.45Å; F2150-Y2208 VanDerWaalsContact CZ-CD1 3.45Å; F2150-Y2208 HydrophobicContact CZ-CD2 4.43Å; F2150-Y2208 AromaticContact CZ-CE1 3.96Å; F2150-Y2208 HydrophobicContact CZ-CE1 3.96Å; F2150-Y2208 AromaticContact CZ-CG 3.71Å; F2150-Y2208 HydrophobicContact CZ-CG 3.71Å; R2204-Y2208 HydrophobicContact CG-CE1 4.17Å; R2204-Y2208 HydrophobicContact CG-CE2 3.77Å; R2204-Y2208 WeakPolarHBondContact CG-OH 3.46Å; R2204-Y2208 PolarHBondContact NE-OH 3.07Å; R2204-Y2208 PolarHBondContact O-N 3.1Å; I2205-Y2208 HydrophobicContact CD1-CD2 4.34Å; Y2208-L2210 PolarHBondContact O-N 3.21Å; Y2208-L2211 PolarHBondContact O-N 2.59Å; Y2208-L2212 WeakPolarHBondContact O-CB 3.37Å; Y2208-L2212 WeakPolarHBondContact O-CG 3.42Å; Y2208-L2212 PolarHBondContact O-N 3.12Å; Y2208-M2236 HydrophobicContact CD2-CE 4.19Å; Y2208-M2236 HydrophobicContact CD2-SD 4.38Å |
| 2209 | Q | 92.6 | Very high | 94.4 | Very high | 41 Ų | 41 | 45.4 Ų | 45.4 | 19% | 0.192 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.6 | -31 | 173.4 | 59.2 | -176.2 | -10.9 | 0 | 0 | 113.4 | M2206 K2207 K2213 L2233 M2236 H2237 | M2206-Q2209 VanDerWaalsContact O-CG 3.3Å; M2206-Q2209 WeakPolarHBondContact O-CG 3.19Å; M2206-Q2209 PolarHBondContact O-NE2 3.25Å; K2207-Q2209 VanDerWaalsContact C-N 3.31Å; K2207-Q2209 PolarHBondContact O-N 3.34Å; Q2209-K2213 VanDerWaalsContact O-CB 3.29Å; Q2209-K2213 WeakPolarHBondContact O-CB 3.07Å; Q2209-K2213 PolarHBondContact O-N 3.01Å; Q2209-K2213 VanDerWaalsContact O-N 3.14Å; Q2209-L2233 HydrophobicContact CB-CD1 4.13Å; Q2209-L2233 VanDerWaalsContact O-CD1 3.25Å; Q2209-L2233 WeakPolarHBondContact O-CD1 3.38Å; Q2209-M2236 HydrophobicContact CB-CB 4.11Å; Q2209-H2237 PolarHBondContact OE1-CD2 3.02Å |
| 2210 | L | 92.9 | Very high | 94.3 | Very high | 105 Ų | 105 | 47.2 Ų | 47.2 | 55% | 0.55 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -75 | -48.9 | 179.2 | -54.8 | 178 | 0 | 0 | 0 | 110.5 | K2207 Y2208 L2212 K2213 D2214 | K2207-L2210 WeakPolarHBondContact O-CB 3.25Å; K2207-L2210 PolarHBondContact O-N 2.96Å; Y2208-L2210 PolarHBondContact O-N 3.21Å; L2210-L2212 PolarHBondContact O-N 3.25Å; L2210-K2213 WeakPolarHBondContact O-CB 3.33Å; L2210-K2213 PolarHBondContact O-N 2.75Å; L2210-D2214 PolarHBondContact O-N 3.12Å |
| 2211 | L | 95.6 | Very high | 94 | Very high | 16 Ų | 16 | 53.5 Ų | 53.5 | 8% | 0.084 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -44.5 | 177.1 | -67.1 | 170.5 | 0 | 0 | 0 | 111.3 | V2075 E2078 L2079 K2207 Y2208 K2213 D2214 I2215 | V2075-L2211 HydrophobicContact CG1-CD2 3.9Å; E2078-L2211 HydrophobicContact CG-CD2 4.36Å; L2079-L2211 HydrophobicContact CB-CD1 4.28Å; L2079-L2211 HydrophobicContact CD1-CD1 3.75Å; K2207-L2211 PolarHBondContact O-N 2.89Å; Y2208-L2211 PolarHBondContact O-N 2.59Å; L2211-K2213 VanDerWaalsContact C-N 3.32Å; L2211-K2213 PolarHBondContact O-N 2.79Å; L2211-D2214 PolarHBondContact O-N 2.87Å; L2211-I2215 WeakPolarHBondContact O-CD1 3.33Å; L2211-I2215 VanDerWaalsContact O-CG1 3.25Å; L2211-I2215 WeakPolarHBondContact O-CG1 3.1Å; L2211-I2215 PolarHBondContact O-N 2.65Å |
| 2212 | L | 96.4 | Very high | 93.6 | Very high | 1 Ų | 1 | 53.5 Ų | 53.5 | 1% | 0.005 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -38 | 175.5 | -76.1 | 170 | 0 | 0 | 0 | 112.6 | F2150 Y2208 L2210 I2215 L2216 L2229 A2232 L2233 M2236 | F2150-L2212 HydrophobicContact CD1-CD1 4.35Å; F2150-L2212 HydrophobicContact CD2-CD1 3.83Å; F2150-L2212 HydrophobicContact CD2-CD2 3.82Å; F2150-L2212 HydrophobicContact CD2-CG 4.19Å; F2150-L2212 HydrophobicContact CE2-CD1 4.09Å; F2150-L2212 HydrophobicContact CE2-CD2 4Å; F2150-L2212 HydrophobicContact CE2-CG 4.16Å; F2150-L2212 HydrophobicContact CG-CD1 3.99Å; F2150-L2212 HydrophobicContact CZ-CD1 4.47Å; Y2208-L2212 WeakPolarHBondContact O-CB 3.37Å; Y2208-L2212 WeakPolarHBondContact O-CG 3.42Å; Y2208-L2212 PolarHBondContact O-N 3.12Å; L2210-L2212 PolarHBondContact O-N 3.25Å; L2212-I2215 PolarHBondContact O-N 2.72Å; L2212-L2216 WeakPolarHBondContact O-CB 3.48Å; L2212-L2216 PolarHBondContact O-N 2.72Å; L2212-L2229 HydrophobicContact CD2-CD2 4.49Å; L2212-A2232 HydrophobicContact CD1-CB 4.12Å; L2212-A2232 HydrophobicContact CD2-CB 4.11Å; L2212-L2233 HydrophobicContact CB-CB 4.48Å; L2212-L2233 HydrophobicContact CB-CD1 4.16Å; L2212-M2236 HydrophobicContact CD1-CB 4.06Å; L2212-M2236 HydrophobicContact CD1-CG 3.68Å |
| 2213 | K | 94.8 | Very high | 93.1 | Very high | 133 Ų | 133 | 55 Ų | 55 | 58% | 0.578 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -64.9 | -38.5 | 177.8 | -173.3 | 175.5 | -177.4 | 176 | 0 | 112.4 | Q2209 L2210 L2211 K2217 L2233 | Q2209-K2213 VanDerWaalsContact O-CB 3.29Å; Q2209-K2213 WeakPolarHBondContact O-CB 3.07Å; Q2209-K2213 PolarHBondContact O-N 3.01Å; Q2209-K2213 VanDerWaalsContact O-N 3.14Å; L2210-K2213 WeakPolarHBondContact O-CB 3.33Å; L2210-K2213 PolarHBondContact O-N 2.75Å; L2211-K2213 VanDerWaalsContact C-N 3.32Å; L2211-K2213 PolarHBondContact O-N 2.79Å; K2213-K2217 VanDerWaalsContact O-CB 3.25Å; K2213-K2217 WeakPolarHBondContact O-CB 3.38Å; K2213-K2217 PolarHBondContact O-N 2.9Å; K2213-K2217 VanDerWaalsContact O-N 3.13Å; K2213-L2233 HydrophobicContact CB-CD1 4.36Å; K2213-L2233 HydrophobicContact CB-CD2 4.28Å |
| 2214 | D | 94.9 | Very high | 92.8 | Very high | 56 Ų | 56 | 52.7 Ų | 52.7 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -77 | -36.3 | 174.7 | -83.8 | -45.6 | 0 | 0 | 0 | 113 | V2075 L2210 L2211 L2216 K2217 Y2218 | V2075-D2214 HydrophobicContact CG1-CB 4.34Å; V2075-D2214 HydrophobicContact CG2-CB 4.4Å; L2210-D2214 PolarHBondContact O-N 3.12Å; L2211-D2214 PolarHBondContact O-N 2.87Å; D2214-L2216 VanDerWaalsContact C-N 3.33Å; D2214-L2216 PolarHBondContact O-N 3.49Å; D2214-K2217 PolarHBondContact O-N 3.5Å; D2214-K2217 WeakPolarHBondContact OD1-CD 3.41Å; D2214-K2217 WeakPolarHBondContact OD1-CE 3.39Å; D2214-K2217 IonicContact OD1-NZ 2.67Å; D2214-K2217 PolarHBondContact OD1-NZ 3.4Å; D2214-Y2218 HydrophobicContact CB-CD2 4.43Å; D2214-Y2218 HydrophobicContact CB-CE2 4.2Å; D2214-Y2218 WeakPolarHBondContact O-CD2 3.3Å; D2214-Y2218 PolarHBondContact O-N 2.88Å |
| 2215 | I | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -44.1 | 172.3 | -66.8 | 161.6 | 0 | 0 | 0 | 110.8 | R2072 V2075 L2076 L2079 L2211 L2212 Y2218 T2219 L2229 | R2072-I2215 HydrophobicContact CG-CG2 4.32Å; V2075-I2215 HydrophobicContact CB-CG1 4.04Å; V2075-I2215 HydrophobicContact CG1-CD1 4.22Å; V2075-I2215 HydrophobicContact CG1-CG1 3.67Å; L2076-I2215 HydrophobicContact CD2-CD1 3.81Å; L2076-I2215 HydrophobicContact CD2-CG1 4.16Å; L2076-I2215 HydrophobicContact CD2-CG2 4.18Å; L2076-I2215 HydrophobicContact CG-CD1 4.46Å; L2076-I2215 HydrophobicContact CG-CG1 4.41Å; L2079-I2215 HydrophobicContact CD2-CD1 4.09Å; L2211-I2215 WeakPolarHBondContact O-CD1 3.33Å; L2211-I2215 VanDerWaalsContact O-CG1 3.25Å; L2211-I2215 WeakPolarHBondContact O-CG1 3.1Å; L2211-I2215 PolarHBondContact O-N 2.65Å; L2212-I2215 PolarHBondContact O-N 2.72Å; I2215-Y2218 PolarHBondContact O-N 3.18Å; I2215-T2219 WeakPolarHBondContact O-CB 3.12Å; I2215-T2219 PolarHBondContact O-N 3.43Å; I2215-T2219 PolarHBondContact O-OG1 2.94Å; I2215-L2229 HydrophobicContact CG2-CD1 3.99Å; I2215-L2229 HydrophobicContact CG2-CD2 3.9Å |
| 2216 | L | 95 | Very high | 92.1 | Very high | 16 Ų | 16 | 56.5 Ų | 56.5 | 8% | 0.084 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -57 | -58.2 | 174.3 | 174 | 61 | 0 | 0 | 0 | 110.9 | L2212 D2214 Y2218 T2219 E2220 T2226 L2229 Q2230 L2233 | L2212-L2216 WeakPolarHBondContact O-CB 3.48Å; L2212-L2216 PolarHBondContact O-N 2.72Å; D2214-L2216 VanDerWaalsContact C-N 3.33Å; D2214-L2216 PolarHBondContact O-N 3.49Å; L2216-Y2218 VanDerWaalsContact C-N 3.27Å; L2216-Y2218 PolarHBondContact O-N 2.88Å; L2216-T2219 WeakPolarHBondContact O-CA 3.48Å; L2216-T2219 WeakPolarHBondContact O-CB 3.23Å; L2216-T2219 PolarHBondContact O-N 2.86Å; L2216-E2220 HydrophobicContact CD1-CG 4.18Å; L2216-E2220 WeakPolarHBondContact CD1-OE1 3.29Å; L2216-E2220 WeakPolarHBondContact CG-OE1 3.46Å; L2216-E2220 WeakPolarHBondContact O-CG 3.41Å; L2216-E2220 PolarHBondContact O-N 2.89Å; L2216-T2226 HydrophobicContact CD1-CG2 3.86Å; L2216-L2229 HydrophobicContact CB-CB 4.41Å; L2216-L2229 HydrophobicContact CD1-CB 4.02Å; L2216-Q2230 HydrophobicContact CD1-CG 3.65Å; L2216-Q2230 HydrophobicContact CD2-CG 3.99Å; L2216-Q2230 HydrophobicContact CG-CG 4.5Å; L2216-L2233 HydrophobicContact CD2-CD2 3.84Å |
| 2217 | K | 95.4 | Very high | 91.9 | Very high | 80 Ų | 80 | 54.9 Ų | 54.9 | 35% | 0.348 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -55.7 | -32.2 | 179 | 166.6 | -179.5 | 152.1 | -155.4 | 0 | 114.5 | K2213 D2214 R2221 | K2213-K2217 VanDerWaalsContact O-CB 3.25Å; K2213-K2217 WeakPolarHBondContact O-CB 3.38Å; K2213-K2217 PolarHBondContact O-N 2.9Å; K2213-K2217 VanDerWaalsContact O-N 3.13Å; D2214-K2217 PolarHBondContact O-N 3.5Å; D2214-K2217 WeakPolarHBondContact OD1-CD 3.41Å; D2214-K2217 WeakPolarHBondContact OD1-CE 3.39Å; D2214-K2217 IonicContact OD1-NZ 2.67Å; D2214-K2217 PolarHBondContact OD1-NZ 3.4Å; K2217-R2221 VanDerWaalsContact O-CD 3.3Å; K2217-R2221 WeakPolarHBondContact O-CD 3.47Å; K2217-R2221 VanDerWaalsContact O-CG 3.24Å; K2217-R2221 WeakPolarHBondContact O-CG 3.2Å |
| 2218 | Y | 95.6 | Very high | 91.8 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 19% | 0.192 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -85.8 | -22.4 | 174.3 | -66.6 | -53 | 0 | 0 | 0 | 113.6 | K2071 V2075 D2214 I2215 L2216 A2222 | K2071-Y2218 HydrophobicContact CB-CD1 3.74Å; K2071-Y2218 HydrophobicContact CB-CD2 4.1Å; K2071-Y2218 HydrophobicContact CB-CE1 3.8Å; K2071-Y2218 HydrophobicContact CB-CE2 4.15Å; K2071-Y2218 HydrophobicContact CB-CG 3.92Å; K2071-Y2218 HydrophobicContact CD-CD1 4.24Å; K2071-Y2218 HydrophobicContact CD-CE1 3.74Å; K2071-Y2218 HydrophobicContact CG-CE1 4.32Å; V2075-Y2218 HydrophobicContact CG2-CD2 4.07Å; V2075-Y2218 HydrophobicContact CG2-CE2 3.98Å; D2214-Y2218 HydrophobicContact CB-CD2 4.43Å; D2214-Y2218 HydrophobicContact CB-CE2 4.2Å; D2214-Y2218 WeakPolarHBondContact O-CD2 3.3Å; D2214-Y2218 PolarHBondContact O-N 2.88Å; I2215-Y2218 PolarHBondContact O-N 3.18Å; L2216-Y2218 VanDerWaalsContact C-N 3.27Å; L2216-Y2218 PolarHBondContact O-N 2.88Å; Y2218-A2222 PolarHBondContact O-N 3.36Å |
| 2219 | T | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.2 | -44.2 | 171.7 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | R2072 Y2143 I2215 L2216 R2221 A2222 G2223 E2224 D2225 T2226 L2229 | R2072-T2219 WeakPolarHBondContact CD-OG1 3.4Å; R2072-T2219 PolarHBondContact NH1-OG1 3.46Å; Y2143-T2219 HydrophobicContact CD2-CG2 4.15Å; Y2143-T2219 HydrophobicContact CE2-CG2 3.59Å; I2215-T2219 WeakPolarHBondContact O-CB 3.12Å; I2215-T2219 PolarHBondContact O-N 3.43Å; I2215-T2219 PolarHBondContact O-OG1 2.94Å; L2216-T2219 WeakPolarHBondContact O-CA 3.48Å; L2216-T2219 WeakPolarHBondContact O-CB 3.23Å; L2216-T2219 PolarHBondContact O-N 2.86Å; T2219-R2221 PolarHBondContact O-N 3.31Å; T2219-A2222 WeakPolarHBondContact O-CA 3.44Å; T2219-A2222 WeakPolarHBondContact O-CB 3.41Å; T2219-A2222 PolarHBondContact O-N 3.25Å; T2219-G2223 PolarHBondContact O-N 2.96Å; T2219-E2224 HydrophobicContact CG2-CB 4.02Å; T2219-E2224 PolarHBondContact O-N 3.23Å; T2219-D2225 VanDerWaalsContact CG2-O 3.24Å; T2219-D2225 WeakPolarHBondContact CG2-O 3.39Å; T2219-T2226 HydrophobicContact CG2-CG2 3.82Å; T2219-L2229 HydrophobicContact CG2-CD1 3.99Å; T2219-L2229 WeakPolarHBondContact OG1-CD1 3.26Å |
| 2220 | E | 90.5 | Very high | 91.7 | Very high | 99 Ų | 99 | 54 Ų | 54 | 46% | 0.463 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -52.7 | -43.2 | 171 | -70.8 | 169.3 | 167.8 | 0 | 0 | 111.2 | L2216 A2222 G2223 T2226 | L2216-E2220 HydrophobicContact CD1-CG 4.18Å; L2216-E2220 WeakPolarHBondContact CD1-OE1 3.29Å; L2216-E2220 WeakPolarHBondContact CG-OE1 3.46Å; L2216-E2220 WeakPolarHBondContact O-CG 3.41Å; L2216-E2220 PolarHBondContact O-N 2.89Å; E2220-A2222 VanDerWaalsContact C-N 3.33Å; E2220-A2222 PolarHBondContact O-N 3.47Å; E2220-G2223 PolarHBondContact O-N 3.1Å; E2220-T2226 HydrophobicContact CB-CG2 4.42Å; E2220-T2226 HydrophobicContact CG-CG2 3.53Å |
| 2221 | R | 88.3 | Confident | 91.4 | Very high | 168 Ų | 168 | 54.7 Ų | 54.7 | 63% | 0.634 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -14.2 | 177.1 | -70.1 | 171.9 | -178.2 | -120.3 | -1.7 | 114.8 | A2068 K2217 T2219 | A2068-R2221 HydrophobicContact CB-CB 3.71Å; K2217-R2221 VanDerWaalsContact O-CD 3.3Å; K2217-R2221 WeakPolarHBondContact O-CD 3.47Å; K2217-R2221 VanDerWaalsContact O-CG 3.24Å; K2217-R2221 WeakPolarHBondContact O-CG 3.2Å; T2219-R2221 PolarHBondContact O-N 3.31Å |
| 2222 | A | 87.7 | Confident | 91.4 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.267 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85 | -16.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A2068 R2069 Y2218 T2219 E2220 E2224 | A2068-A2222 HydrophobicContact CB-CB 4.3Å; R2069-A2222 HydrophobicContact CG-CB 3.98Å; R2069-A2222 PolarHBondContact NH2-O 3.41Å; Y2218-A2222 PolarHBondContact O-N 3.36Å; T2219-A2222 WeakPolarHBondContact O-CA 3.44Å; T2219-A2222 WeakPolarHBondContact O-CB 3.41Å; T2219-A2222 PolarHBondContact O-N 3.25Å; E2220-A2222 VanDerWaalsContact C-N 3.33Å; E2220-A2222 PolarHBondContact O-N 3.47Å; A2222-E2224 HydrophobicContact CB-CG 4.28Å |
| 2223 | G | 80.3 | Confident | 91.2 | Very high | 63 Ų | 63 | 54.8 Ų | 54.8 | 65% | 0.649 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 77 | 33.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | T2219 E2220 | T2219-G2223 PolarHBondContact O-N 2.96Å; E2220-G2223 PolarHBondContact O-N 3.1Å |
| 2224 | E | 87.2 | Confident | 90.9 | Very high | 49 Ų | 49 | 54.8 Ų | 54.8 | 23% | 0.229 | 27% | 0.273 | C | S | . | . | trans | -119.3 | 163.8 | -175.5 | -72 | 168.6 | -153 | 0 | 0 | 111 | R2069 R2072 Y2143 T2219 A2222 | R2069-E2224 IonicContact CZ-OE1 3.89Å; R2069-E2224 IonicContact NE-OE1 2.75Å; R2069-E2224 PolarHBondContact NE-OE1 3.3Å; R2069-E2224 IonicContact NH2-OE1 2.77Å; R2069-E2224 PolarHBondContact NH2-OE1 3.41Å; R2072-E2224 IonicContact CZ-OE2 3.3Å; R2072-E2224 IonicContact NH1-OE2 2.57Å; R2072-E2224 PolarHBondContact NH1-OE2 2.98Å; R2072-E2224 IonicContact NH2-OE1 3.51Å; R2072-E2224 IonicContact NH2-OE2 3.61Å; R2072-E2224 PolarHBondContact NH2-OE2 2.88Å; Y2143-E2224 WeakPolarHBondContact CE1-OE2 3.09Å; T2219-E2224 HydrophobicContact CG2-CB 4.02Å; T2219-E2224 PolarHBondContact O-N 3.23Å; A2222-E2224 HydrophobicContact CB-CG 4.28Å | ||
| 2225 | D | 83.1 | Confident | 90.5 | Very high | 75 Ų | 75 | 52.9 Ų | 52.9 | 40% | 0.401 | 26% | 0.263 | S | S | . | . | trans | -66.8 | 141.5 | -173.2 | -173.8 | 32.8 | 0 | 0 | 0 | 112.9 | Y2143 T2219 T2227 | Y2143-D2225 WeakPolarHBondContact CE2-O 3.49Å; Y2143-D2225 PolarHBondContact OH-N 3.1Å; Y2143-D2225 PolarHBondContact OH-O 2.99Å; T2219-D2225 VanDerWaalsContact CG2-O 3.24Å; T2219-D2225 WeakPolarHBondContact CG2-O 3.39Å; D2225-T2227 VanDerWaalsContact OD1-CG2 3.27Å; D2225-T2227 WeakPolarHBondContact OD1-CG2 3.46Å; D2225-T2227 PolarHBondContact OD1-N 2.94Å; D2225-T2227 PolarHBondContact OD2-OG1 3.45Å | ||
| 2226 | T | 91.8 | Very high | 90.3 | Very high | 21 Ų | 21 | 52.9 Ų | 52.9 | 13% | 0.129 | 26% | 0.263 | C | S | . | . | trans | -123.1 | -8.7 | -173.6 | 57.6 | 0 | 0 | 0 | 0 | 112.9 | L2216 T2219 E2220 I2228 L2229 Q2230 | L2216-T2226 HydrophobicContact CD1-CG2 3.86Å; T2219-T2226 HydrophobicContact CG2-CG2 3.82Å; E2220-T2226 HydrophobicContact CB-CG2 4.42Å; E2220-T2226 HydrophobicContact CG-CG2 3.53Å; T2226-I2228 VanDerWaalsContact C-N 3.26Å; T2226-I2228 PolarHBondContact O-N 2.91Å; T2226-I2228 VanDerWaalsContact O-N 3.16Å; T2226-L2229 WeakPolarHBondContact O-CA 3.18Å; T2226-L2229 WeakPolarHBondContact O-CB 3.36Å; T2226-L2229 PolarHBondContact O-N 3.37Å; T2226-Q2230 PolarHBondContact O-N 3.33Å | ||
| 2227 | T | 87.8 | Confident | 90 | Very high | 69 Ų | 69 | 56.7 Ų | 56.7 | 42% | 0.423 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -54.2 | -40.6 | -173.2 | 62.6 | 0 | 0 | 0 | 0 | 113.1 | D2225 K2231 | D2225-T2227 VanDerWaalsContact OD1-CG2 3.27Å; D2225-T2227 WeakPolarHBondContact OD1-CG2 3.46Å; D2225-T2227 PolarHBondContact OD1-N 2.94Å; D2225-T2227 PolarHBondContact OD2-OG1 3.45Å; T2227-K2231 WeakPolarHBondContact O-CG 3.37Å; T2227-K2231 PolarHBondContact O-N 3.14Å |
| 2228 | I | 89.4 | Confident | 89.5 | Confident | 38 Ų | 38 | 56.2 Ų | 56.2 | 20% | 0.195 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.5 | -33.6 | 178.4 | -161.8 | 78.8 | 0 | 0 | 0 | 112.3 | E2144 R2148 T2226 A2232 | E2144-I2228 HydrophobicContact CB-CG2 4.1Å; E2144-I2228 HydrophobicContact CG-CG2 4.2Å; R2148-I2228 HydrophobicContact CG-CD1 4.03Å; R2148-I2228 HydrophobicContact CG-CG1 4.02Å; T2226-I2228 VanDerWaalsContact C-N 3.26Å; T2226-I2228 PolarHBondContact O-N 2.91Å; T2226-I2228 VanDerWaalsContact O-N 3.16Å; I2228-A2232 WeakPolarHBondContact O-CB 3.37Å; I2228-A2232 PolarHBondContact O-N 3.4Å |
| 2229 | L | 94.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -75.1 | -38.4 | 179.7 | -65.6 | 172.3 | 0 | 0 | 0 | 111.7 | Y2143 L2212 I2215 L2216 T2219 T2226 A2232 L2233 | Y2143-L2229 HydrophobicContact CD2-CD1 4.27Å; Y2143-L2229 HydrophobicContact CE2-CD1 4.41Å; L2212-L2229 HydrophobicContact CD2-CD2 4.49Å; I2215-L2229 HydrophobicContact CG2-CD1 3.99Å; I2215-L2229 HydrophobicContact CG2-CD2 3.9Å; L2216-L2229 HydrophobicContact CB-CB 4.41Å; L2216-L2229 HydrophobicContact CD1-CB 4.02Å; T2219-L2229 HydrophobicContact CG2-CD1 3.99Å; T2219-L2229 WeakPolarHBondContact OG1-CD1 3.26Å; T2226-L2229 WeakPolarHBondContact O-CA 3.18Å; T2226-L2229 WeakPolarHBondContact O-CB 3.36Å; T2226-L2229 PolarHBondContact O-N 3.37Å; L2229-A2232 PolarHBondContact O-N 3.02Å; L2229-L2233 WeakPolarHBondContact O-CB 3.39Å; L2229-L2233 PolarHBondContact O-N 3.49Å |
| 2230 | Q | 92.3 | Very high | 88.7 | Confident | 96 Ų | 96 | 54.9 Ų | 54.9 | 45% | 0.449 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 173.9 | -67.9 | 178.8 | -6.4 | 0 | 0 | 111.2 | L2216 T2226 L2233 Q2234 | L2216-Q2230 HydrophobicContact CD1-CG 3.65Å; L2216-Q2230 HydrophobicContact CD2-CG 3.99Å; L2216-Q2230 HydrophobicContact CG-CG 4.5Å; T2226-Q2230 PolarHBondContact O-N 3.33Å; Q2230-L2233 PolarHBondContact O-N 3.15Å; Q2230-Q2234 PolarHBondContact O-N 3.08Å |
| 2231 | K | 88.2 | Confident | 88.4 | Confident | 120 Ų | 120 | 56.7 Ų | 56.7 | 52% | 0.522 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -62.2 | -43.5 | 173.8 | -71.7 | 171 | -178.1 | 173.7 | 0 | 112.3 | V2151 T2227 L2233 Q2234 V2235 | V2151-K2231 HydrophobicContact CG2-CB 3.96Å; T2227-K2231 WeakPolarHBondContact O-CG 3.37Å; T2227-K2231 PolarHBondContact O-N 3.14Å; K2231-L2233 VanDerWaalsContact C-N 3.34Å; K2231-L2233 PolarHBondContact O-N 2.74Å; K2231-Q2234 PolarHBondContact O-N 2.89Å; K2231-V2235 PolarHBondContact O-N 3.49Å |
| 2232 | A | 93.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -41.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F2150 V2151 L2212 I2228 L2229 V2235 M2236 | F2150-A2232 HydrophobicContact CB-CB 3.82Å; V2151-A2232 HydrophobicContact CG2-CB 4.17Å; L2212-A2232 HydrophobicContact CD1-CB 4.12Å; L2212-A2232 HydrophobicContact CD2-CB 4.11Å; I2228-A2232 WeakPolarHBondContact O-CB 3.37Å; I2228-A2232 PolarHBondContact O-N 3.4Å; L2229-A2232 PolarHBondContact O-N 3.02Å; A2232-V2235 PolarHBondContact O-N 3.18Å; A2232-M2236 PolarHBondContact O-N 3.35Å |
| 2233 | L | 93.1 | Very high | 88 | Confident | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -67.4 | -38 | 176.7 | -177.9 | 58.9 | 0 | 0 | 0 | 111.8 | Q2209 L2212 K2213 L2216 L2229 Q2230 K2231 M2236 H2237 | Q2209-L2233 HydrophobicContact CB-CD1 4.13Å; Q2209-L2233 VanDerWaalsContact O-CD1 3.25Å; Q2209-L2233 WeakPolarHBondContact O-CD1 3.38Å; L2212-L2233 HydrophobicContact CB-CB 4.48Å; L2212-L2233 HydrophobicContact CB-CD1 4.16Å; K2213-L2233 HydrophobicContact CB-CD1 4.36Å; K2213-L2233 HydrophobicContact CB-CD2 4.28Å; L2216-L2233 HydrophobicContact CD2-CD2 3.84Å; L2229-L2233 WeakPolarHBondContact O-CB 3.39Å; L2229-L2233 PolarHBondContact O-N 3.49Å; Q2230-L2233 PolarHBondContact O-N 3.15Å; K2231-L2233 VanDerWaalsContact C-N 3.34Å; K2231-L2233 PolarHBondContact O-N 2.74Å; L2233-M2236 CarbonylContact O-C 3.56Å; L2233-M2236 PolarHBondContact O-N 2.86Å; L2233-H2237 PolarHBondContact O-N 3.39Å; L2233-H2237 PolarHBondContact O-ND1 3.38Å; L2233-H2237 VanDerWaalsContact O-ND1 3.12Å |
| 2234 | Q | 89.2 | Confident | 88.1 | Confident | 133 Ų | 133 | 51.2 Ų | 51.2 | 62% | 0.621 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61.1 | -48.7 | 173.9 | -170.8 | 179.7 | 12.6 | 0 | 0 | 111.7 | Q2230 K2231 M2236 H2237 V2238 | Q2230-Q2234 PolarHBondContact O-N 3.08Å; K2231-Q2234 PolarHBondContact O-N 2.89Å; Q2234-M2236 VanDerWaalsContact C-N 3.27Å; Q2234-M2236 PolarHBondContact O-N 3.29Å; Q2234-H2237 PolarHBondContact O-N 2.98Å; Q2234-H2237 VanDerWaalsContact O-N 3.11Å; Q2234-V2238 PolarHBondContact O-N 3.08Å |
| 2235 | V | 86.5 | Confident | 87.9 | Confident | 15 Ų | 15 | 49.9 Ų | 49.9 | 9% | 0.091 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -53.7 | -45.7 | 172.6 | 165.1 | 0 | 0 | 0 | 0 | 111 | E2154 K2231 A2232 H2237 V2238 V2239 | E2154-V2235 HydrophobicContact CB-CG1 3.82Å; E2154-V2235 HydrophobicContact CB-CG2 4.46Å; E2154-V2235 HydrophobicContact CG-CG1 3.85Å; E2154-V2235 HydrophobicContact CG-CG2 4.45Å; K2231-V2235 PolarHBondContact O-N 3.49Å; A2232-V2235 PolarHBondContact O-N 3.18Å; V2235-H2237 VanDerWaalsContact C-N 3.29Å; V2235-H2237 PolarHBondContact O-N 3.47Å; V2235-V2238 PolarHBondContact O-N 2.69Å; V2235-V2238 VanDerWaalsContact O-N 3.12Å; V2235-V2239 PolarHBondContact O-N 3.1Å |
| 2236 | M | 92.7 | Very high | 88 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -74.7 | -8.5 | -179.5 | -77.4 | -48.5 | -40.9 | 0 | 0 | 115.6 | F2150 L2157 I2205 Y2208 Q2209 L2212 A2232 L2233 Q2234 P2240 | F2150-M2236 HydrophobicContact CD1-CG 3.77Å; F2150-M2236 HydrophobicContact CD1-SD 3.86Å; F2150-M2236 HydrophobicContact CE1-CG 4.16Å; F2150-M2236 HydrophobicContact CE1-SD 4.12Å; F2150-M2236 HydrophobicContact CG-CG 4.42Å; L2157-M2236 HydrophobicContact CD1-SD 4.05Å; I2205-M2236 HydrophobicContact CD1-CE 3.63Å; I2205-M2236 HydrophobicContact CD1-SD 4.4Å; I2205-M2236 HydrophobicContact CG1-CE 3.97Å; I2205-M2236 VanDerWaalsContact O-CE 3.25Å; I2205-M2236 WeakPolarHBondContact O-CE 3.37Å; Y2208-M2236 HydrophobicContact CD2-CE 4.19Å; Y2208-M2236 HydrophobicContact CD2-SD 4.38Å; Q2209-M2236 HydrophobicContact CB-CB 4.11Å; L2212-M2236 HydrophobicContact CD1-CB 4.06Å; L2212-M2236 HydrophobicContact CD1-CG 3.68Å; A2232-M2236 PolarHBondContact O-N 3.35Å; L2233-M2236 CarbonylContact O-C 3.56Å; L2233-M2236 PolarHBondContact O-N 2.86Å; Q2234-M2236 VanDerWaalsContact C-N 3.27Å; Q2234-M2236 PolarHBondContact O-N 3.29Å; M2236-P2240 HydrophobicContact CE-CG 4.27Å; M2236-P2240 WeakPolarHBondContact O-CD 3.37Å; M2236-P2240 VanDerWaalsContact O-CG 3.23Å; M2236-P2240 WeakPolarHBondContact O-CG 3.17Å |
| 2237 | H | 88.1 | Confident | 87.4 | Confident | 96 Ų | 96 | 49.3 Ų | 49.3 | 44% | 0.444 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -85.1 | -32 | 163.8 | -68.6 | 128.9 | 0 | 0 | 0 | 112.4 | Q2209 L2233 Q2234 V2235 K2241 | Q2209-H2237 PolarHBondContact OE1-CD2 3.02Å; L2233-H2237 PolarHBondContact O-N 3.39Å; L2233-H2237 PolarHBondContact O-ND1 3.38Å; L2233-H2237 VanDerWaalsContact O-ND1 3.12Å; Q2234-H2237 PolarHBondContact O-N 2.98Å; Q2234-H2237 VanDerWaalsContact O-N 3.11Å; V2235-H2237 VanDerWaalsContact C-N 3.29Å; V2235-H2237 PolarHBondContact O-N 3.47Å; H2237-K2241 WeakPolarHBondContact O-CB 3.42Å |
| 2238 | V | 85.3 | Confident | 87 | Confident | 70 Ų | 70 | 47.7 Ų | 47.7 | 42% | 0.424 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -70.6 | -46.2 | -178.2 | 173.7 | 0 | 0 | 0 | 0 | 111.9 | Q2234 V2235 K2241 A2242 | Q2234-V2238 PolarHBondContact O-N 3.08Å; V2235-V2238 PolarHBondContact O-N 2.69Å; V2235-V2238 VanDerWaalsContact O-N 3.12Å; V2238-K2241 PolarHBondContact O-N 3.31Å; V2238-A2242 PolarHBondContact O-N 2.74Å |
| 2239 | V | 87.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.9 | -44.7 | -174.5 | -179.1 | 0 | 0 | 0 | 0 | 113.2 | I2205 V2235 A2242 C2243 | I2205-V2239 HydrophobicContact CD1-CG1 4Å; I2205-V2239 HydrophobicContact CG1-CG1 4.05Å; V2235-V2239 PolarHBondContact O-N 3.1Å; V2239-A2242 PolarHBondContact O-N 2.69Å; V2239-C2243 PolarHBondContact O-N 3.11Å; V2239-C2243 VanDerWaalsContact O-N 3.13Å; V2239-C2243 PolarHBondContact O-SG 3.31Å |
| 2240 | P | 86.1 | Confident | 85.7 | Confident | 22 Ų | 22 | 47.9 Ų | 47.9 | 14% | 0.143 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -63.8 | -39.9 | 174.2 | -23.6 | 35.7 | 0 | 0 | 0 | 113 | M2236 A2242 C2243 D2244 | M2236-P2240 HydrophobicContact CE-CG 4.27Å; M2236-P2240 WeakPolarHBondContact O-CD 3.37Å; M2236-P2240 VanDerWaalsContact O-CG 3.23Å; M2236-P2240 WeakPolarHBondContact O-CG 3.17Å; P2240-A2242 VanDerWaalsContact C-N 3.29Å; P2240-A2242 PolarHBondContact O-N 3.04Å; P2240-C2243 VanDerWaalsContact O-CB 3.32Å; P2240-C2243 WeakPolarHBondContact O-CB 3.39Å; P2240-C2243 PolarHBondContact O-N 2.97Å; P2240-D2244 PolarHBondContact O-N 2.69Å; P2240-D2244 VanDerWaalsContact O-N 3.14Å |
| 2241 | K | 83.6 | Confident | 85.2 | Confident | 136 Ų | 136 | 46.9 Ų | 46.9 | 59% | 0.591 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.3 | -36.9 | 176.2 | -172.2 | 173.2 | -178.6 | 176.4 | 0 | 111.9 | H2237 V2238 N2245 | H2237-K2241 WeakPolarHBondContact O-CB 3.42Å; V2238-K2241 PolarHBondContact O-N 3.31Å; K2241-N2245 WeakPolarHBondContact O-CB 3.31Å; K2241-N2245 PolarHBondContact O-N 3.29Å; K2241-N2245 VanDerWaalsContact O-N 3.11Å |
| 2242 | A | 83.4 | Confident | 85 | Confident | 24 Ų | 24 | 42.4 Ų | 42.4 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.9 | -32.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113 | V2161 V2238 V2239 P2240 M2246 | V2161-A2242 HydrophobicContact CG2-CB 3.91Å; V2238-A2242 PolarHBondContact O-N 2.74Å; V2239-A2242 PolarHBondContact O-N 2.69Å; P2240-A2242 VanDerWaalsContact C-N 3.29Å; P2240-A2242 PolarHBondContact O-N 3.04Å; A2242-M2246 WeakPolarHBondContact O-CB 3.3Å; A2242-M2246 PolarHBondContact O-N 3.47Å; A2242-M2246 VanDerWaalsContact O-N 3.17Å |
| 2243 | C | 85.3 | Confident | 84.4 | Confident | 7 Ų | 7 | 47.3 Ų | 47.3 | 5% | 0.047 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.6 | -50.1 | 174.7 | -62.8 | 0 | 0 | 0 | 0 | 111.7 | C2164 V2239 P2240 M2246 M2247 | C2164-C2243 HydrophobicContact CB-CB 3.84Å; V2239-C2243 PolarHBondContact O-N 3.11Å; V2239-C2243 VanDerWaalsContact O-N 3.13Å; V2239-C2243 PolarHBondContact O-SG 3.31Å; P2240-C2243 VanDerWaalsContact O-CB 3.32Å; P2240-C2243 WeakPolarHBondContact O-CB 3.39Å; P2240-C2243 PolarHBondContact O-N 2.97Å; C2243-M2246 PolarHBondContact O-N 2.86Å; C2243-M2247 WeakPolarHBondContact O-CG 3.3Å; C2243-M2247 PolarHBondContact O-N 3.12Å |
| 2244 | D | 81.9 | Confident | 83.9 | Confident | 86 Ų | 86 | 49.6 Ų | 49.6 | 46% | 0.46 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | -179.7 | -178.5 | 59.4 | 0 | 0 | 0 | 112.1 | P2240 M2246 M2247 H2248 | P2240-D2244 PolarHBondContact O-N 2.69Å; P2240-D2244 VanDerWaalsContact O-N 3.14Å; D2244-M2246 VanDerWaalsContact C-N 3.29Å; D2244-M2246 PolarHBondContact O-N 2.82Å; D2244-M2247 WeakPolarHBondContact O-CB 3.39Å; D2244-M2247 PolarHBondContact O-N 3.11Å; D2244-M2247 VanDerWaalsContact O-N 3.1Å; D2244-H2248 PolarHBondContact O-N 2.89Å |
| 2245 | N | 82.9 | Confident | 83.6 | Confident | 20 Ų | 20 | 44.9 Ų | 44.9 | 11% | 0.107 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.6 | -45.1 | 173.1 | -93.1 | -8.1 | 0 | 0 | 0 | 112.5 | K2241 H2248 L2265 Q2268 | K2241-N2245 WeakPolarHBondContact O-CB 3.31Å; K2241-N2245 PolarHBondContact O-N 3.29Å; K2241-N2245 VanDerWaalsContact O-N 3.11Å; N2245-H2248 PolarHBondContact O-N 2.99Å; N2245-L2265 HydrophobicContact CB-CD2 3.82Å; N2245-L2265 VanDerWaalsContact O-CD2 3.25Å; N2245-L2265 WeakPolarHBondContact O-CD2 3.3Å; N2245-Q2268 PolarHBondContact OD1-NE2 2.69Å |
| 2246 | M | 84.1 | Confident | 83.1 | Confident | 21 Ų | 21 | 52.4 Ų | 52.4 | 10% | 0.103 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -77.2 | -21.4 | -179.2 | -154.1 | 66.3 | 177.6 | 0 | 0 | 113.6 | V2161 Q2165 A2242 C2243 D2244 H2248 V2249 G2250 L2265 F2292 | V2161-M2246 HydrophobicContact CG1-CB 3.71Å; V2161-M2246 HydrophobicContact CG1-CG 4.05Å; Q2165-M2246 HydrophobicContact CB-CG 4.4Å; Q2165-M2246 HydrophobicContact CG-CG 4.2Å; A2242-M2246 WeakPolarHBondContact O-CB 3.3Å; A2242-M2246 PolarHBondContact O-N 3.47Å; A2242-M2246 VanDerWaalsContact O-N 3.17Å; C2243-M2246 PolarHBondContact O-N 2.86Å; D2244-M2246 VanDerWaalsContact C-N 3.29Å; D2244-M2246 PolarHBondContact O-N 2.82Å; M2246-H2248 VanDerWaalsContact C-N 3.33Å; M2246-H2248 PolarHBondContact O-N 3.16Å; M2246-V2249 HydrophobicContact CE-CB 4.48Å; M2246-V2249 HydrophobicContact CE-CG1 4.01Å; M2246-V2249 WeakPolarHBondContact O-CB 3.11Å; M2246-V2249 PolarHBondContact O-N 3.23Å; M2246-V2249 HydrophobicContact SD-CB 4Å; M2246-V2249 HydrophobicContact SD-CG1 4.15Å; M2246-V2249 HydrophobicContact SD-CG2 4.01Å; M2246-G2250 PolarHBondContact O-N 2.85Å; M2246-G2250 VanDerWaalsContact O-N 3.16Å; M2246-L2265 HydrophobicContact SD-CB 4.34Å; M2246-F2292 HydrophobicContact CE-CE1 4.37Å; M2246-F2292 HydrophobicContact SD-CE1 4.38Å |
| 2247 | M | 79.3 | Confident | 82.2 | Confident | 64 Ų | 64 | 54 Ų | 54 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.6 | -35.3 | 171.6 | -79.7 | 174.3 | 50.1 | 0 | 0 | 112.3 | C2243 D2244 G2250 | C2243-M2247 WeakPolarHBondContact O-CG 3.3Å; C2243-M2247 PolarHBondContact O-N 3.12Å; D2244-M2247 WeakPolarHBondContact O-CB 3.39Å; D2244-M2247 PolarHBondContact O-N 3.11Å; D2244-M2247 VanDerWaalsContact O-N 3.1Å; M2247-G2250 PolarHBondContact O-N 3.45Å |
| 2248 | H | 81.2 | Confident | 81.5 | Confident | 34 Ų | 34 | 57.1 Ų | 57.1 | 16% | 0.157 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 172.2 | -81.9 | -92.4 | 0 | 0 | 0 | 112.3 | D2244 N2245 M2246 G2250 R2251 Q2268 F2290 Y2313 | D2244-H2248 PolarHBondContact O-N 2.89Å; N2245-H2248 PolarHBondContact O-N 2.99Å; M2246-H2248 VanDerWaalsContact C-N 3.33Å; M2246-H2248 PolarHBondContact O-N 3.16Å; H2248-G2250 PolarHBondContact O-N 2.64Å; H2248-R2251 PolarHBondContact O-N 3.19Å; H2248-R2251 VanDerWaalsContact O-N 3.07Å; H2248-Q2268 PolarHBondContact CD2-NE2 2.96Å; H2248-F2290 HydrophobicContact CB-CE1 4.11Å; H2248-Y2313 HydrophobicContact CB-CE2 4.35Å; H2248-Y2313 AromaticContact ND1-CE2 3.93Å; H2248-Y2313 AromaticContact ND1-CZ 3.88Å; H2248-Y2313 PolarHBondContact ND1-OH 3.16Å |
| 2249 | V | 81.9 | Confident | 81 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 4% | 0.036 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.9 | -31.8 | 176.2 | 175.6 | 0 | 0 | 0 | 0 | 111.6 | M2246 R2251 L2252 I2259 L2265 F2290 F2292 | M2246-V2249 HydrophobicContact CE-CB 4.48Å; M2246-V2249 HydrophobicContact CE-CG1 4.01Å; M2246-V2249 WeakPolarHBondContact O-CB 3.11Å; M2246-V2249 PolarHBondContact O-N 3.23Å; M2246-V2249 HydrophobicContact SD-CB 4Å; M2246-V2249 HydrophobicContact SD-CG1 4.15Å; M2246-V2249 HydrophobicContact SD-CG2 4.01Å; V2249-R2251 PolarHBondContact O-N 2.8Å; V2249-L2252 WeakPolarHBondContact O-CB 3.01Å; V2249-L2252 PolarHBondContact O-N 3.06Å; V2249-I2259 HydrophobicContact CG1-CD1 3.93Å; V2249-I2259 HydrophobicContact CG1-CG1 3.38Å; V2249-L2265 HydrophobicContact CG2-CD1 4.39Å; V2249-L2265 HydrophobicContact CG2-CD2 3.51Å; V2249-L2265 HydrophobicContact CG2-CG 4.44Å; V2249-F2290 HydrophobicContact CG2-CD1 3.67Å; V2249-F2290 HydrophobicContact CG2-CE1 3.83Å; V2249-F2292 HydrophobicContact CG1-CZ 3.94Å; V2249-F2292 HydrophobicContact CG2-CE1 4.39Å; V2249-F2292 HydrophobicContact CG2-CZ 3.77Å |
| 2250 | G | 74.5 | Confident | 80.2 | Confident | 37 Ų | 37 | 60.8 Ų | 60.8 | 38% | 0.381 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -12.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M2246 M2247 H2248 | M2246-G2250 PolarHBondContact O-N 2.85Å; M2246-G2250 VanDerWaalsContact O-N 3.16Å; M2247-G2250 PolarHBondContact O-N 3.45Å; H2248-G2250 PolarHBondContact O-N 2.64Å |
| 2251 | R | 81.9 | Confident | 79.8 | Confident | 74 Ų | 74 | 62.6 Ų | 62.6 | 28% | 0.279 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 4.4 | 177 | -52.4 | -178.6 | -170.8 | 142.3 | 6.5 | 113.7 | H2248 V2249 Y2313 | H2248-R2251 PolarHBondContact O-N 3.19Å; H2248-R2251 VanDerWaalsContact O-N 3.07Å; V2249-R2251 PolarHBondContact O-N 2.8Å; R2251-Y2313 HydrophobicContact CB-CD2 3.89Å; R2251-Y2313 HydrophobicContact CB-CE2 4.1Å; R2251-Y2313 PolarHBondContact O-N 2.99Å |
| 2252 | L | 83.7 | Confident | 79.7 | Confident | 26 Ų | 26 | 56.7 Ų | 56.7 | 14% | 0.136 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 124.2 | 176.5 | -176.7 | 65 | 0 | 0 | 0 | 110.7 | V2249 F2255 I2259 F2290 I2297 A2299 Y2313 | V2249-L2252 WeakPolarHBondContact O-CB 3.01Å; V2249-L2252 PolarHBondContact O-N 3.06Å; L2252-F2255 HydrophobicContact CD2-CB 4.11Å; L2252-F2255 HydrophobicContact CD2-CG 4.5Å; L2252-F2255 HydrophobicContact CG-CB 4.39Å; L2252-I2259 HydrophobicContact CD2-CD1 4.18Å; L2252-F2290 HydrophobicContact CD1-CE2 4.38Å; L2252-I2297 HydrophobicContact CD2-CD1 4.41Å; L2252-I2297 HydrophobicContact CD2-CG2 4.13Å; L2252-A2299 HydrophobicContact CD1-CB 3.64Å; L2252-Y2313 CarbonylContact C-O 3.59Å; L2252-Y2313 WeakPolarHBondContact CA-O 3.1Å |
| 2253 | Q | 80.6 | Confident | 79.6 | Confident | 104 Ų | 104 | 56.7 Ų | 56.7 | 49% | 0.486 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 149.3 | -179.2 | -62.4 | -177.1 | -10.5 | 0 | 0 | 111.1 | F2255 Y2313 Y2315 | Q2253-F2255 VanDerWaalsContact C-N 3.34Å; Q2253-F2255 PolarHBondContact O-N 2.86Å; Q2253-Y2313 PolarHBondContact N-O 3.34Å; Q2253-Y2315 WeakPolarHBondContact O-CB 3.23Å; Q2253-Y2315 PolarHBondContact O-N 3.49Å |
| 2254 | G | 81.9 | Confident | 79.2 | Confident | 66 Ų | 66 | 61.7 Ų | 61.7 | 68% | 0.68 | 35% | 0.349 | S | S | * | . | S | Bend | trans | 78.6 | 6.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | D2256 Y2315 | G2254-D2256 PolarHBondContact O-N 3.48Å; G2254-Y2315 VanDerWaalsContact O-CD1 3.3Å; G2254-Y2315 WeakPolarHBondContact O-CD1 3.46Å |
| 2255 | F | 84.1 | Confident | 79.4 | Confident | 35 Ų | 35 | 58.7 Ų | 58.7 | 15% | 0.154 | 33% | 0.333 | C | S | . | . | trans | -80 | 111.9 | 170.5 | -178.3 | -117.8 | 0 | 0 | 0 | 109.9 | L2252 Q2253 G2257 I2259 Q2262 I2297 Y2315 | L2252-F2255 HydrophobicContact CD2-CB 4.11Å; L2252-F2255 HydrophobicContact CD2-CG 4.5Å; L2252-F2255 HydrophobicContact CG-CB 4.39Å; Q2253-F2255 VanDerWaalsContact C-N 3.34Å; Q2253-F2255 PolarHBondContact O-N 2.86Å; F2255-G2257 WeakPolarHBondContact CD1-O 3.22Å; F2255-G2257 VanDerWaalsContact CE1-C 3.5Å; F2255-G2257 VanDerWaalsContact CE1-O 3.3Å; F2255-G2257 WeakPolarHBondContact CE1-O 3.44Å; F2255-G2257 PolarHBondContact O-N 2.84Å; F2255-I2259 HydrophobicContact CD1-CB 4.47Å; F2255-I2259 HydrophobicContact CD1-CD1 3.93Å; F2255-I2259 HydrophobicContact CE1-CD1 3.92Å; F2255-Q2262 HydrophobicContact CE1-CG 4.25Å; F2255-Q2262 HydrophobicContact CZ-CG 4.27Å; F2255-I2297 HydrophobicContact CD2-CD1 4.33Å; F2255-I2297 HydrophobicContact CE1-CD1 4.2Å; F2255-I2297 HydrophobicContact CE2-CD1 3.96Å; F2255-I2297 HydrophobicContact CZ-CD1 3.88Å; F2255-Y2315 HydrophobicContact CB-CD2 4.24Å; F2255-Y2315 HydrophobicContact CB-CG 4.06Å; F2255-Y2315 AromaticContact CD2-CD2 3.6Å; F2255-Y2315 HydrophobicContact CD2-CD2 3.6Å; F2255-Y2315 AromaticContact CD2-CE2 3.65Å; F2255-Y2315 HydrophobicContact CD2-CE2 3.65Å; F2255-Y2315 HydrophobicContact CD2-CG 4.09Å; F2255-Y2315 HydrophobicContact CE2-CD2 4.46Å; F2255-Y2315 HydrophobicContact CE2-CE2 4.13Å; F2255-Y2315 HydrophobicContact CG-CD2 4.37Å | ||
| 2256 | D | 75.5 | Confident | 79.5 | Confident | 173 Ų | 173 | 60.4 Ų | 60.4 | 93% | 0.925 | 34% | 0.342 | S | S | * | . | trans | -78.1 | 7.5 | -177.5 | -160 | 35.8 | 0 | 0 | 0 | 113.7 | G2254 | G2254-D2256 PolarHBondContact O-N 3.48Š| ||
| 2257 | G | 74.2 | Confident | 79.8 | Confident | 33 Ų | 33 | 60.7 Ų | 60.7 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -103.5 | 156.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | F2255 I2259 | F2255-G2257 WeakPolarHBondContact CD1-O 3.22Å; F2255-G2257 VanDerWaalsContact CE1-C 3.5Å; F2255-G2257 VanDerWaalsContact CE1-O 3.3Å; F2255-G2257 WeakPolarHBondContact CE1-O 3.44Å; F2255-G2257 PolarHBondContact O-N 2.84Å; G2257-I2259 PolarHBondContact O-N 3.22Å; G2257-I2259 VanDerWaalsContact O-N 3.09Å |
| 2258 | K | 73.4 | Confident | 80.4 | Confident | 162 Ų | 162 | 58.6 Ų | 58.6 | 70% | 0.704 | 33% | 0.332 | S | S | * | . | trans | -68 | 109.5 | 166.7 | -73.5 | -178.6 | 178.8 | 176.3 | 0 | 108.9 | T2260 S2261 Q2262 | K2258-T2260 PolarHBondContact O-N 3.5Å; K2258-S2261 PolarHBondContact O-N 3.27Å; K2258-S2261 PolarHBondContact O-OG 3Å; K2258-Q2262 PolarHBondContact O-NE2 3.43Å | ||
| 2259 | I | 74.5 | Confident | 80.8 | Confident | 38 Ų | 38 | 57.3 Ų | 57.3 | 20% | 0.195 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -61.5 | -28.6 | -179 | -161 | 60.4 | 0 | 0 | 0 | 112.5 | V2249 L2252 F2255 G2257 S2261 Q2262 F2292 I2297 | V2249-I2259 HydrophobicContact CG1-CD1 3.93Å; V2249-I2259 HydrophobicContact CG1-CG1 3.38Å; L2252-I2259 HydrophobicContact CD2-CD1 4.18Å; F2255-I2259 HydrophobicContact CD1-CB 4.47Å; F2255-I2259 HydrophobicContact CD1-CD1 3.93Å; F2255-I2259 HydrophobicContact CE1-CD1 3.92Å; G2257-I2259 PolarHBondContact O-N 3.22Å; G2257-I2259 VanDerWaalsContact O-N 3.09Å; I2259-S2261 VanDerWaalsContact C-N 3.28Å; I2259-S2261 PolarHBondContact O-N 2.99Å; I2259-Q2262 HydrophobicContact CD1-CG 4.27Å; I2259-Q2262 WeakPolarHBondContact O-CG 3.42Å; I2259-Q2262 PolarHBondContact O-N 3.44Å; I2259-F2292 HydrophobicContact CD1-CE1 4.41Å; I2259-F2292 HydrophobicContact CD1-CE2 4.12Å; I2259-F2292 HydrophobicContact CD1-CZ 3.69Å; I2259-F2292 HydrophobicContact CG1-CZ 4.17Å; I2259-I2297 HydrophobicContact CD1-CD1 3.79Å |
| 2260 | T | 70.2 | Confident | 81.2 | Confident | 108 Ų | 108 | 59.5 Ų | 59.5 | 66% | 0.663 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -72.3 | -15.9 | 174.1 | 55 | 0 | 0 | 0 | 0 | 114.1 | K2258 Q2262 | K2258-T2260 PolarHBondContact O-N 3.5Å; T2260-Q2262 VanDerWaalsContact C-N 3.32Å |
| 2261 | S | 78.1 | Confident | 82.1 | Confident | 60 Ų | 60 | 58 Ų | 58 | 42% | 0.42 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -87.6 | 0.3 | 176.4 | 81.2 | 0 | 0 | 0 | 0 | 113.2 | K2258 I2259 G2263 Q2294 | K2258-S2261 PolarHBondContact O-N 3.27Å; K2258-S2261 PolarHBondContact O-OG 3Å; I2259-S2261 VanDerWaalsContact C-N 3.28Å; I2259-S2261 PolarHBondContact O-N 2.99Å; S2261-G2263 VanDerWaalsContact C-N 3.27Å; S2261-Q2294 PolarHBondContact O-OE1 3.16Å; S2261-Q2294 VanDerWaalsContact O-OE1 3.13Å |
| 2262 | Q | 81.1 | Confident | 82.5 | Confident | 13 Ų | 13 | 57.3 Ų | 57.3 | 6% | 0.061 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -83.3 | -4.8 | 178.7 | -49.5 | -53.8 | -64.8 | 0 | 0 | 112.7 | F2255 K2258 I2259 T2260 F2292 Q2294 S2295 I2297 | F2255-Q2262 HydrophobicContact CE1-CG 4.25Å; F2255-Q2262 HydrophobicContact CZ-CG 4.27Å; K2258-Q2262 PolarHBondContact O-NE2 3.43Å; I2259-Q2262 HydrophobicContact CD1-CG 4.27Å; I2259-Q2262 WeakPolarHBondContact O-CG 3.42Å; I2259-Q2262 PolarHBondContact O-N 3.44Å; T2260-Q2262 VanDerWaalsContact C-N 3.32Å; Q2262-F2292 HydrophobicContact CB-CB 3.84Å; Q2262-F2292 HydrophobicContact CB-CD1 3.85Å; Q2262-F2292 HydrophobicContact CB-CD2 4.22Å; Q2262-F2292 HydrophobicContact CB-CE1 4.43Å; Q2262-F2292 HydrophobicContact CB-CG 3.73Å; Q2262-F2292 VanDerWaalsContact O-CB 3.29Å; Q2262-F2292 WeakPolarHBondContact O-CB 3.38Å; Q2262-Q2294 VanDerWaalsContact O-CB 3.27Å; Q2262-Q2294 WeakPolarHBondContact O-CB 3.38Å; Q2262-Q2294 WeakPolarHBondContact O-CG 3.46Å; Q2262-Q2294 PolarHBondContact O-N 3.23Å; Q2262-S2295 PolarHBondContact OE1-OG 3.43Å; Q2262-I2297 HydrophobicContact CG-CD1 4.41Å |
| 2263 | G | 80.7 | Confident | 82.8 | Confident | 23 Ų | 23 | 56 Ų | 56 | 24% | 0.237 | 32% | 0.32 | C | S | . | . | trans | 86.6 | -165 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S2261 E2293 | S2261-G2263 VanDerWaalsContact C-N 3.27Å; G2263-E2293 WeakPolarHBondContact CA-OE2 3.46Å | ||
| 2264 | K | 78.4 | Confident | 82.9 | Confident | 113 Ų | 113 | 51.2 Ų | 51.2 | 49% | 0.491 | 30% | 0.298 | S | S | . | . | trans | -67 | 146.9 | 172 | -57.8 | -176.5 | -171.7 | -176.6 | 0 | 110.5 | F2292 E2293 | K2264-F2292 CarbonylContact O-C 3.53Å; K2264-F2292 VanDerWaalsContact O-CA 3.24Å; K2264-F2292 WeakPolarHBondContact O-CA 3.16Å; K2264-E2293 HydrophobicContact CB-CG 4.12Å; K2264-E2293 WeakPolarHBondContact CB-OE1 3.26Å; K2264-E2293 WeakPolarHBondContact CD-OE1 3.28Å; K2264-E2293 WeakPolarHBondContact CG-OE1 3.39Å; K2264-E2293 PolarHBondContact N-OE2 3.3Å; K2264-E2293 PolarHBondContact O-N 3.2Å | ||
| 2265 | L | 86.4 | Confident | 82.3 | Confident | 22 Ų | 22 | 51.5 Ų | 51.5 | 12% | 0.115 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 118.6 | 165.4 | -175.1 | 70.1 | 0 | 0 | 0 | 109.2 | N2245 M2246 V2249 Q2268 F2290 L2291 F2292 | N2245-L2265 HydrophobicContact CB-CD2 3.82Å; N2245-L2265 VanDerWaalsContact O-CD2 3.25Å; N2245-L2265 WeakPolarHBondContact O-CD2 3.3Å; M2246-L2265 HydrophobicContact SD-CB 4.34Å; V2249-L2265 HydrophobicContact CG2-CD1 4.39Å; V2249-L2265 HydrophobicContact CG2-CD2 3.51Å; V2249-L2265 HydrophobicContact CG2-CG 4.44Å; L2265-Q2268 HydrophobicContact CD2-CB 4.15Å; L2265-Q2268 HydrophobicContact CD2-CG 3.85Å; L2265-F2290 HydrophobicContact CD1-CB 3.86Å; L2265-F2290 HydrophobicContact CD1-CD1 4.31Å; L2265-F2290 HydrophobicContact CD2-CD1 4.38Å; L2265-L2291 WeakPolarHBondContact CD1-O 3.43Å; L2265-F2292 HydrophobicContact CB-CD1 3.91Å; L2265-F2292 HydrophobicContact CB-CE1 3.82Å; L2265-F2292 HydrophobicContact CB-CZ 4.48Å; L2265-F2292 HydrophobicContact CD1-CD1 3.97Å; L2265-F2292 HydrophobicContact CD1-CD2 3.88Å; L2265-F2292 HydrophobicContact CD1-CE1 3.86Å; L2265-F2292 HydrophobicContact CD1-CE2 3.76Å; L2265-F2292 HydrophobicContact CD1-CG 3.97Å; L2265-F2292 HydrophobicContact CD1-CZ 3.76Å; L2265-F2292 HydrophobicContact CG-CE1 4.39Å |
| 2266 | L | 84.6 | Confident | 80.9 | Confident | 57 Ų | 57 | 51.1 Ų | 51.1 | 30% | 0.298 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | -46.5 | -178.6 | -57.3 | 175 | 0 | 0 | 0 | 111.1 | L2291 E2293 L2370 | L2266-L2291 HydrophobicContact CB-CG 4.49Å; L2266-L2291 WeakPolarHBondContact CB-O 3.42Å; L2266-L2291 PolarHBondContact N-O 3.11Å; L2266-E2293 HydrophobicContact CD1-CG 4.13Å; L2266-E2293 HydrophobicContact CD2-CG 3.93Å; L2266-E2293 HydrophobicContact CG-CG 4.11Å; L2266-L2370 HydrophobicContact CD1-CB 4.5Å; L2266-L2370 HydrophobicContact CD1-CD1 3.88Å; L2266-L2370 HydrophobicContact CD1-CD2 4.07Å; L2266-L2370 HydrophobicContact CD1-CG 4.36Å |
| 2267 | H | 90.4 | Very high | 79.7 | Confident | 27 Ų | 27 | 47.9 Ų | 47.9 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 154.4 | -178.3 | -158.6 | 82.4 | 0 | 0 | 0 | 112.3 | L2291 W2363 F2366 | H2267-L2291 HydrophobicContact CB-CB 4.3Å; H2267-L2291 HydrophobicContact CB-CD2 4.23Å; H2267-L2291 PolarHBondContact N-O 3.13Å; H2267-L2291 WeakPolarHBondContact O-CB 3.11Å; H2267-L2291 PolarHBondContact O-N 3.49Å; H2267-W2363 AromaticContact CD2-CD2 3.88Å; H2267-W2363 AromaticContact CD2-CE2 3.48Å; H2267-W2363 VanDerWaalsContact CD2-CE2 3.48Å; H2267-W2363 AromaticContact CD2-CH2 3.99Å; H2267-W2363 AromaticContact CD2-CZ2 3.57Å; H2267-W2363 AromaticContact CD2-NE1 3.84Å; H2267-W2363 AromaticContact NE2-CE2 3.91Å; H2267-W2363 AromaticContact NE2-NE1 3.77Å; H2267-F2366 HydrophobicContact CB-CB 4.45Å; H2267-F2366 HydrophobicContact CB-CD2 3.87Å; H2267-F2366 HydrophobicContact CB-CE2 4.35Å; H2267-F2366 HydrophobicContact CB-CG 4.11Å; H2267-F2366 AromaticContact CE1-CE2 3.7Å; H2267-F2366 AromaticContact CG-CD2 3.62Å; H2267-F2366 AromaticContact CG-CE2 3.87Å; H2267-F2366 AromaticContact ND1-CD2 3.37Å; H2267-F2366 WeakPolarHBondContact ND1-CD2 3.35Å; H2267-F2366 AromaticContact ND1-CE2 3.12Å; H2267-F2366 WeakPolarHBondContact ND1-CE2 3.37Å; H2267-F2366 AromaticContact ND1-CZ 3.92Å |
| 2268 | Q | 90.8 | Very high | 78.3 | Confident | 19 Ų | 19 | 52.8 Ų | 52.8 | 9% | 0.089 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 145.1 | 176.5 | 60.5 | 91.3 | 25.4 | 0 | 0 | 112.3 | N2245 H2248 L2265 R2288 V2289 F2290 | N2245-Q2268 PolarHBondContact OD1-NE2 2.69Å; H2248-Q2268 PolarHBondContact CD2-NE2 2.96Å; L2265-Q2268 HydrophobicContact CD2-CB 4.15Å; L2265-Q2268 HydrophobicContact CD2-CG 3.85Å; Q2268-R2288 VanDerWaalsContact OE1-CZ 3.3Å; Q2268-V2289 VanDerWaalsContact CA-O 3.24Å; Q2268-V2289 WeakPolarHBondContact CA-O 3.41Å; Q2268-F2290 HydrophobicContact CB-CD1 3.66Å; Q2268-F2290 HydrophobicContact CB-CE1 4.22Å; Q2268-F2290 HydrophobicContact CB-CG 4.4Å; Q2268-F2290 HydrophobicContact CG-CD1 4.38Å |
| 2269 | G | 90.8 | Very high | 76.9 | Confident | 8 Ų | 8 | 49 Ų | 49 | 8% | 0.082 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.7 | 174.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R2288 V2289 | G2269-R2288 WeakPolarHBondContact O-CA 3.35Å; G2269-R2288 VanDerWaalsContact O-CD 3.28Å; G2269-R2288 WeakPolarHBondContact O-CD 3.16Å; G2269-V2289 PolarHBondContact N-O 2.94Å; G2269-V2289 VanDerWaalsContact N-O 3.11Å; G2269-V2289 PolarHBondContact O-N 3.27Å |
| 2270 | T | 90.4 | Very high | 75.5 | Confident | 52 Ų | 52 | 54.8 Ų | 54.8 | 32% | 0.319 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 120.4 | 174.4 | -64 | 0 | 0 | 0 | 0 | 109.3 | E2286 R2287 R2288 | T2270-E2286 HydrophobicContact CG2-CB 4.21Å; T2270-R2287 CarbonylContact C-O 3.55Å; T2270-R2287 VanDerWaalsContact CA-O 3.3Å; T2270-R2287 WeakPolarHBondContact CA-O 3.36Å; T2270-R2288 WeakPolarHBondContact OG1-CD 3.38Å; T2270-R2288 PolarHBondContact OG1-NH1 3.42Å |
| 2271 | L | 92.3 | Very high | 74.3 | Confident | 4 Ų | 4 | 59.2 Ų | 59.2 | 2% | 0.021 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 158.6 | -179.2 | -61.1 | 176.7 | 0 | 0 | 0 | 110.9 | V2273 E2286 R2287 V2289 F2337 V2352 A2354 E2359 W2363 | L2271-V2273 HydrophobicContact CB-CG2 4.26Å; L2271-E2286 WeakPolarHBondContact O-CA 3.4Å; L2271-R2287 PolarHBondContact N-O 3.02Å; L2271-R2287 PolarHBondContact O-N 3.45Å; L2271-V2289 HydrophobicContact CB-CG2 4.43Å; L2271-V2289 HydrophobicContact CD1-CG2 4.23Å; L2271-F2337 HydrophobicContact CD1-CZ 4.28Å; L2271-V2352 HydrophobicContact CB-CG1 3.88Å; L2271-V2352 HydrophobicContact CD1-CG1 3.54Å; L2271-V2352 HydrophobicContact CG-CG1 4.28Å; L2271-A2354 HydrophobicContact CD2-CB 4.41Å; L2271-E2359 HydrophobicContact CD2-CG 4.3Å; L2271-W2363 HydrophobicContact CD1-CD2 3.92Å; L2271-W2363 HydrophobicContact CD1-CE3 4.48Å; L2271-W2363 HydrophobicContact CD1-CG 4.22Å; L2271-W2363 HydrophobicContact CD1-CZ2 4Å; L2271-W2363 HydrophobicContact CG-CZ2 4.46Å |
| 2272 | L | 90.1 | Very high | 73.4 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 31% | 0.314 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 116.5 | 171.2 | -80.2 | 165.7 | 0 | 0 | 0 | 109 | L2284 E2286 V2352 Q2353 | L2272-L2284 HydrophobicContact CB-CB 4.35Å; L2272-L2284 HydrophobicContact CB-CD2 4.4Å; L2272-L2284 HydrophobicContact CD2-CB 4.29Å; L2272-E2286 HydrophobicContact CD2-CG 3.82Å; L2272-V2352 CarbonylContact O-C 3.26Å; L2272-V2352 WeakPolarHBondContact O-CA 3.44Å; L2272-Q2353 HydrophobicContact CB-CB 4.01Å; L2272-Q2353 PolarHBondContact N-O 3.3Å; L2272-Q2353 VanDerWaalsContact N-O 3.11Å; L2272-Q2353 PolarHBondContact O-N 2.9Å |
| 2273 | V | 89.8 | Confident | 73 | Confident | 0 Ų | 0 | 68 Ų | 68 | 0% | 0 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 130.9 | -170.7 | -179.2 | 0 | 0 | 0 | 0 | 111.4 | L2271 K2285 R2287 V2289 T2350 V2351 V2352 | L2271-V2273 HydrophobicContact CB-CG2 4.26Å; V2273-K2285 PolarHBondContact N-O 2.97Å; V2273-K2285 PolarHBondContact O-N 3.14Å; V2273-R2287 HydrophobicContact CB-CB 4.38Å; V2273-R2287 HydrophobicContact CB-CG 4.24Å; V2273-R2287 HydrophobicContact CG2-CB 4.17Å; V2273-R2287 PolarHBondContact O-NH2 3.24Å; V2273-V2289 HydrophobicContact CG2-CG2 4.34Å; V2273-T2350 HydrophobicContact CG1-CG2 3.47Å; V2273-T2350 VanDerWaalsContact CG1-CG2 3.47Å; V2273-V2351 WeakPolarHBondContact CA-O 3.23Å; V2273-V2352 HydrophobicContact CG2-CG1 4.43Å; V2273-V2352 HydrophobicContact CG2-CG2 4.41Å |
| 2274 | A | 82.4 | Confident | 72.9 | Confident | 2 Ų | 2 | 68.9 Ų | 68.9 | 2% | 0.017 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 131.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | L2282 L2284 V2351 | A2274-L2282 HydrophobicContact CB-CB 3.94Å; A2274-L2282 HydrophobicContact CB-CD2 4.21Å; A2274-L2284 HydrophobicContact CB-CD2 3.85Å; A2274-L2284 HydrophobicContact CB-CG 4.4Å; A2274-V2351 PolarHBondContact N-O 2.93Å; A2274-V2351 PolarHBondContact O-N 3.44Å |
| 2275 | D | 69.3 | Low | 73.1 | Confident | 73 Ų | 73 | 69.1 Ų | 69.1 | 39% | 0.39 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 137.8 | 165.8 | -27.2 | -63.9 | 0 | 0 | 0 | 107.7 | R2287 | D2275-R2287 VanDerWaalsContact CG-NH1 3.26Å; D2275-R2287 VanDerWaalsContact CG-NH2 3.28Å; D2275-R2287 IonicContact OD1-CZ 3.88Å; D2275-R2287 IonicContact OD1-NH1 3.07Å; D2275-R2287 PolarHBondContact OD1-NH1 2.81Å; D2275-R2287 IonicContact OD1-NH2 3.73Å; D2275-R2287 PolarHBondContact OD1-NH2 3.27Å; D2275-R2287 IonicContact OD2-CZ 2.78Å; D2275-R2287 VanDerWaalsContact OD2-CZ 3.28Å; D2275-R2287 IonicContact OD2-NH1 3.34Å; D2275-R2287 PolarHBondContact OD2-NH1 2.86Å; D2275-R2287 IonicContact OD2-NH2 2.76Å; D2275-R2287 PolarHBondContact OD2-NH2 3.07Å |
| 2276 | G | 55 | Low | 73.1 | Confident | 26 Ų | 26 | 74.4 Ų | 74.4 | 27% | 0.268 | 41% | 0.411 | S | S | . | . | trans | 178.3 | 144.7 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 2277 | P | 51.5 | Low | 73.4 | Confident | 105 Ų | 105 | 71.9 Ų | 71.9 | 68% | 0.682 | 40% | 0.398 | S | S | * | . | trans | -64.8 | 150 | 167.6 | 30.4 | -34.5 | 0 | 0 | 0 | 110 | G2279 | P2277-G2279 PolarHBondContact O-N 3.07Å; P2277-G2279 VanDerWaalsContact O-N 3.11Å | ||
| 2278 | S | 45.1 | Very low | 73.4 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 95% | 0.951 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.9 | 111.3 | -176.4 | 28.7 | 0 | 0 | 0 | 0 | 112.3 | ||
| 2279 | G | 43.6 | Very low | 73.5 | Confident | 83 Ų | 83 | 71.6 Ų | 71.6 | 86% | 0.856 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 140.2 | -7.2 | 171 | 0 | 0 | 0 | 0 | 0 | 117.4 | P2277 | P2277-G2279 PolarHBondContact O-N 3.07Å; P2277-G2279 VanDerWaalsContact O-N 3.11Å |
| 2280 | Q | 43.8 | Very low | 73.6 | Confident | 160 Ų | 160 | 71.2 Ų | 71.2 | 75% | 0.748 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -112.2 | 158.8 | 177.4 | -67.2 | -172.4 | -4.4 | 0 | 0 | 112.7 | L2282 | Q2280-L2282 PolarHBondContact O-N 3.4Š|
| 2281 | Q | 46.3 | Very low | 73.7 | Confident | 201 Ų | 201 | 68.8 Ų | 68.8 | 94% | 0.939 | 38% | 0.376 | S | S | * | . | trans | -64.1 | 105.5 | 178.6 | -76.9 | -172.3 | -17.8 | 0 | 0 | 111.4 | K2283 | Q2281-K2283 PolarHBondContact O-N 2.88Š| ||
| 2282 | L | 57.9 | Low | 73.7 | Confident | 83 Ų | 83 | 68.6 Ų | 68.6 | 44% | 0.435 | 38% | 0.375 | S | S | . | . | trans | -72.6 | 105.9 | -178.7 | -69.1 | 172.9 | 0 | 0 | 0 | 111.6 | A2274 Q2280 L2284 V2351 | A2274-L2282 HydrophobicContact CB-CB 3.94Å; A2274-L2282 HydrophobicContact CB-CD2 4.21Å; Q2280-L2282 PolarHBondContact O-N 3.4Å; L2282-L2284 PolarHBondContact O-N 2.96Å; L2282-V2351 HydrophobicContact CD1-CB 4.48Å; L2282-V2351 HydrophobicContact CD1-CG2 3.79Å | ||
| 2283 | K | 73.5 | Confident | 73.5 | Confident | 174 Ų | 174 | 68.9 Ų | 68.9 | 76% | 0.757 | 38% | 0.375 | S | S | * | . | trans | -88.3 | 101.2 | 172.4 | -173.2 | 170.4 | -176.7 | 171.8 | 0 | 110.9 | Q2281 | Q2281-K2283 PolarHBondContact O-N 2.88Š| ||
| 2284 | L | 78.1 | Confident | 73.5 | Confident | 41 Ų | 41 | 73.5 Ų | 73.5 | 22% | 0.215 | 40% | 0.397 | C | S | . | . | trans | -53.3 | 143.4 | 171.7 | -66.1 | 165.4 | 0 | 0 | 0 | 111.8 | L2272 A2274 L2282 Q2353 | L2272-L2284 HydrophobicContact CB-CB 4.35Å; L2272-L2284 HydrophobicContact CB-CD2 4.4Å; L2272-L2284 HydrophobicContact CD2-CB 4.29Å; A2274-L2284 HydrophobicContact CB-CD2 3.85Å; A2274-L2284 HydrophobicContact CB-CG 4.4Å; L2282-L2284 PolarHBondContact O-N 2.96Å; L2284-Q2353 HydrophobicContact CD1-CB 4.49Å | ||
| 2285 | K | 83.2 | Confident | 73.8 | Confident | 119 Ų | 119 | 73.4 Ų | 73.4 | 52% | 0.517 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 144 | 172.8 | -65.4 | -178.9 | 179.9 | 178.2 | 0 | 110 | V2273 | V2273-K2285 PolarHBondContact N-O 2.97Å; V2273-K2285 PolarHBondContact O-N 3.14Å |
| 2286 | E | 85.2 | Confident | 74.9 | Confident | 132 Ų | 132 | 70 Ų | 70 | 62% | 0.617 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66 | 132.1 | 173.7 | -66.3 | 177.7 | -175 | 0 | 0 | 111.3 | T2270 L2271 L2272 | T2270-E2286 HydrophobicContact CG2-CB 4.21Å; L2271-E2286 WeakPolarHBondContact O-CA 3.4Å; L2272-E2286 HydrophobicContact CD2-CG 3.82Å |
| 2287 | R | 91.1 | Very high | 76.7 | Confident | 5 Ų | 5 | 68.8 Ų | 68.8 | 2% | 0.019 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 150.7 | 178.9 | -63.7 | -171.3 | -152.1 | 178.8 | 2.9 | 111.1 | T2270 L2271 V2273 D2275 I2298 A2299 D2300 | T2270-R2287 CarbonylContact C-O 3.55Å; T2270-R2287 VanDerWaalsContact CA-O 3.3Å; T2270-R2287 WeakPolarHBondContact CA-O 3.36Å; L2271-R2287 PolarHBondContact N-O 3.02Å; L2271-R2287 PolarHBondContact O-N 3.45Å; V2273-R2287 HydrophobicContact CB-CB 4.38Å; V2273-R2287 HydrophobicContact CB-CG 4.24Å; V2273-R2287 HydrophobicContact CG2-CB 4.17Å; V2273-R2287 PolarHBondContact O-NH2 3.24Å; D2275-R2287 VanDerWaalsContact CG-NH1 3.26Å; D2275-R2287 VanDerWaalsContact CG-NH2 3.28Å; D2275-R2287 IonicContact OD1-CZ 3.88Å; D2275-R2287 IonicContact OD1-NH1 3.07Å; D2275-R2287 PolarHBondContact OD1-NH1 2.81Å; D2275-R2287 IonicContact OD1-NH2 3.73Å; D2275-R2287 PolarHBondContact OD1-NH2 3.27Å; D2275-R2287 IonicContact OD2-CZ 2.78Å; D2275-R2287 VanDerWaalsContact OD2-CZ 3.28Å; D2275-R2287 IonicContact OD2-NH1 3.34Å; D2275-R2287 PolarHBondContact OD2-NH1 2.86Å; D2275-R2287 IonicContact OD2-NH2 2.76Å; D2275-R2287 PolarHBondContact OD2-NH2 3.07Å; R2287-I2298 HydrophobicContact CB-CG2 4.09Å; R2287-I2298 VanDerWaalsContact CD-CG2 3.45Å; R2287-I2298 HydrophobicContact CG-CG2 4.41Å; R2287-A2299 CarbonylContact C-O 3.57Å; R2287-A2299 WeakPolarHBondContact CA-O 3.47Å; R2287-A2299 VanDerWaalsContact CB-O 3.3Å; R2287-A2299 WeakPolarHBondContact CB-O 3.26Å; R2287-D2300 IonicContact NE-OD1 3.09Å |
| 2288 | R | 91.1 | Very high | 78.6 | Confident | 38 Ų | 38 | 63.9 Ų | 63.9 | 14% | 0.143 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 129.9 | 168.7 | -153.5 | 73.8 | -179.4 | -179.5 | -3.1 | 108.3 | Q2268 G2269 T2270 F2290 A2299 C2301 Y2313 | Q2268-R2288 VanDerWaalsContact OE1-CZ 3.3Å; G2269-R2288 WeakPolarHBondContact O-CA 3.35Å; G2269-R2288 VanDerWaalsContact O-CD 3.28Å; G2269-R2288 WeakPolarHBondContact O-CD 3.16Å; T2270-R2288 WeakPolarHBondContact OG1-CD 3.38Å; T2270-R2288 PolarHBondContact OG1-NH1 3.42Å; R2288-F2290 HydrophobicContact CB-CE2 3.94Å; R2288-F2290 HydrophobicContact CB-CZ 4.28Å; R2288-F2290 HydrophobicContact CG-CD2 4.44Å; R2288-F2290 HydrophobicContact CG-CE1 4.24Å; R2288-F2290 HydrophobicContact CG-CE2 3.72Å; R2288-F2290 HydrophobicContact CG-CZ 3.61Å; R2288-A2299 PolarHBondContact N-O 3.41Å; R2288-A2299 PolarHBondContact O-N 3.29Å; R2288-C2301 PolarHBondContact N-SG 3.13Å; R2288-C2301 VanDerWaalsContact N-SG 3.37Å; R2288-Y2313 HydrophobicContact CB-CD1 3.67Å; R2288-Y2313 HydrophobicContact CB-CE1 3.92Å; R2288-Y2313 HydrophobicContact CB-CG 4.19Å; R2288-Y2313 HydrophobicContact CG-CD1 3.98Å; R2288-Y2313 HydrophobicContact CG-CE1 3.8Å; R2288-Y2313 HydrophobicContact CG-CE2 4.43Å; R2288-Y2313 HydrophobicContact CG-CG 4.38Å |
| 2289 | V | 92.3 | Very high | 80.9 | Confident | 2 Ų | 2 | 57.4 Ų | 57.4 | 1% | 0.012 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 135.5 | 174.4 | -174.4 | 0 | 0 | 0 | 0 | 108 | Q2268 G2269 L2271 V2273 V2296 I2297 I2298 W2363 | Q2268-V2289 VanDerWaalsContact CA-O 3.24Å; Q2268-V2289 WeakPolarHBondContact CA-O 3.41Å; G2269-V2289 PolarHBondContact N-O 2.94Å; G2269-V2289 VanDerWaalsContact N-O 3.11Å; G2269-V2289 PolarHBondContact O-N 3.27Å; L2271-V2289 HydrophobicContact CB-CG2 4.43Å; L2271-V2289 HydrophobicContact CD1-CG2 4.23Å; V2273-V2289 HydrophobicContact CG2-CG2 4.34Å; V2289-V2296 HydrophobicContact CG1-CG1 3.69Å; V2289-I2297 WeakPolarHBondContact CA-O 3.22Å; V2289-I2298 HydrophobicContact CG2-CG1 4.44Å; V2289-W2363 HydrophobicContact CB-CH2 3.65Å; V2289-W2363 HydrophobicContact CB-CZ2 4.2Å; V2289-W2363 HydrophobicContact CB-CZ3 4.28Å; V2289-W2363 HydrophobicContact CG1-CH2 3.61Å; V2289-W2363 HydrophobicContact CG1-CZ3 3.76Å |
| 2290 | F | 92.9 | Very high | 83 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 119.1 | 177.3 | -59.2 | -89.2 | 0 | 0 | 0 | 109 | H2248 V2249 L2252 L2265 Q2268 R2288 F2292 V2296 I2297 A2299 Y2313 | H2248-F2290 HydrophobicContact CB-CE1 4.11Å; V2249-F2290 HydrophobicContact CG2-CD1 3.67Å; V2249-F2290 HydrophobicContact CG2-CE1 3.83Å; L2252-F2290 HydrophobicContact CD1-CE2 4.38Å; L2265-F2290 HydrophobicContact CD1-CB 3.86Å; L2265-F2290 HydrophobicContact CD1-CD1 4.31Å; L2265-F2290 HydrophobicContact CD2-CD1 4.38Å; Q2268-F2290 HydrophobicContact CB-CD1 3.66Å; Q2268-F2290 HydrophobicContact CB-CE1 4.22Å; Q2268-F2290 HydrophobicContact CB-CG 4.4Å; Q2268-F2290 HydrophobicContact CG-CD1 4.38Å; R2288-F2290 HydrophobicContact CB-CE2 3.94Å; R2288-F2290 HydrophobicContact CB-CZ 4.28Å; R2288-F2290 HydrophobicContact CG-CD2 4.44Å; R2288-F2290 HydrophobicContact CG-CE1 4.24Å; R2288-F2290 HydrophobicContact CG-CE2 3.72Å; R2288-F2290 HydrophobicContact CG-CZ 3.61Å; F2290-F2292 HydrophobicContact CB-CD2 4.2Å; F2290-F2292 HydrophobicContact CB-CE2 3.64Å; F2290-F2292 HydrophobicContact CB-CZ 4.47Å; F2290-V2296 CarbonylContact O-C 3.26Å; F2290-V2296 WeakPolarHBondContact O-CA 3.35Å; F2290-I2297 HydrophobicContact CB-CB 4.34Å; F2290-I2297 PolarHBondContact N-O 3.45Å; F2290-I2297 PolarHBondContact O-N 3.16Å; F2290-A2299 HydrophobicContact CE2-CB 4.33Å; F2290-Y2313 HydrophobicContact CE2-CD2 4.41Å; F2290-Y2313 HydrophobicContact CE2-CG 4.5Å; F2290-Y2313 AromaticContact CZ-CD2 3.74Å; F2290-Y2313 HydrophobicContact CZ-CD2 3.74Å; F2290-Y2313 HydrophobicContact CZ-CE2 4.1Å; F2290-Y2313 HydrophobicContact CZ-CG 4.23Å |
| 2291 | L | 93.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 101.7 | -179.3 | 179.9 | 62.9 | 0 | 0 | 0 | 109.6 | L2265 L2266 H2267 V2296 W2363 F2366 I2367 L2370 | L2265-L2291 WeakPolarHBondContact CD1-O 3.43Å; L2266-L2291 HydrophobicContact CB-CG 4.49Å; L2266-L2291 WeakPolarHBondContact CB-O 3.42Å; L2266-L2291 PolarHBondContact N-O 3.11Å; H2267-L2291 HydrophobicContact CB-CB 4.3Å; H2267-L2291 HydrophobicContact CB-CD2 4.23Å; H2267-L2291 PolarHBondContact N-O 3.13Å; H2267-L2291 WeakPolarHBondContact O-CB 3.11Å; H2267-L2291 PolarHBondContact O-N 3.49Å; L2291-V2296 HydrophobicContact CD1-CG2 3.72Å; L2291-W2363 HydrophobicContact CB-CZ3 3.99Å; L2291-W2363 HydrophobicContact CD2-CZ3 4.46Å; L2291-F2366 HydrophobicContact CD2-CB 3.65Å; L2291-I2367 HydrophobicContact CD1-CG1 4.33Å; L2291-I2367 HydrophobicContact CD2-CG1 3.96Å; L2291-L2370 HydrophobicContact CD1-CD2 3.57Å; L2291-L2370 HydrophobicContact CG-CD2 4.18Å |
| 2292 | F | 92.3 | Very high | 86.2 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 162.7 | 172.2 | -61.2 | -98.8 | 0 | 0 | 0 | 111.1 | M2246 V2249 I2259 Q2262 K2264 L2265 F2290 Q2294 S2295 I2297 L2370 | M2246-F2292 HydrophobicContact CE-CE1 4.37Å; M2246-F2292 HydrophobicContact SD-CE1 4.38Å; V2249-F2292 HydrophobicContact CG1-CZ 3.94Å; V2249-F2292 HydrophobicContact CG2-CE1 4.39Å; V2249-F2292 HydrophobicContact CG2-CZ 3.77Å; I2259-F2292 HydrophobicContact CD1-CE1 4.41Å; I2259-F2292 HydrophobicContact CD1-CE2 4.12Å; I2259-F2292 HydrophobicContact CD1-CZ 3.69Å; I2259-F2292 HydrophobicContact CG1-CZ 4.17Å; Q2262-F2292 HydrophobicContact CB-CB 3.84Å; Q2262-F2292 HydrophobicContact CB-CD1 3.85Å; Q2262-F2292 HydrophobicContact CB-CD2 4.22Å; Q2262-F2292 HydrophobicContact CB-CE1 4.43Å; Q2262-F2292 HydrophobicContact CB-CG 3.73Å; Q2262-F2292 VanDerWaalsContact O-CB 3.29Å; Q2262-F2292 WeakPolarHBondContact O-CB 3.38Å; K2264-F2292 CarbonylContact O-C 3.53Å; K2264-F2292 VanDerWaalsContact O-CA 3.24Å; K2264-F2292 WeakPolarHBondContact O-CA 3.16Å; L2265-F2292 HydrophobicContact CB-CD1 3.91Å; L2265-F2292 HydrophobicContact CB-CE1 3.82Å; L2265-F2292 HydrophobicContact CB-CZ 4.48Å; L2265-F2292 HydrophobicContact CD1-CD1 3.97Å; L2265-F2292 HydrophobicContact CD1-CD2 3.88Å; L2265-F2292 HydrophobicContact CD1-CE1 3.86Å; L2265-F2292 HydrophobicContact CD1-CE2 3.76Å; L2265-F2292 HydrophobicContact CD1-CG 3.97Å; L2265-F2292 HydrophobicContact CD1-CZ 3.76Å; L2265-F2292 HydrophobicContact CG-CE1 4.39Å; F2290-F2292 HydrophobicContact CB-CD2 4.2Å; F2290-F2292 HydrophobicContact CB-CE2 3.64Å; F2290-F2292 HydrophobicContact CB-CZ 4.47Å; F2292-Q2294 PolarHBondContact O-N 3.09Å; F2292-Q2294 VanDerWaalsContact O-N 3.1Å; F2292-S2295 WeakPolarHBondContact CA-O 3.45Å; F2292-S2295 WeakPolarHBondContact CB-O 3.42Å; F2292-S2295 PolarHBondContact N-O 3.22Å; F2292-S2295 PolarHBondContact O-N 3.5Å; F2292-I2297 HydrophobicContact CD2-CD1 4.15Å; F2292-I2297 HydrophobicContact CD2-CG1 4.23Å; F2292-I2297 HydrophobicContact CE2-CD1 3.75Å; F2292-I2297 HydrophobicContact CE2-CG1 4.16Å; F2292-L2370 WeakPolarHBondContact O-CD2 3.28Å |
| 2293 | E | 85.7 | Confident | 86.7 | Confident | 67 Ų | 67 | 47.2 Ų | 47.2 | 31% | 0.313 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -54.4 | -26.7 | 175.6 | -67.7 | 168 | 157.4 | 0 | 0 | 113.9 | G2263 K2264 L2266 | G2263-E2293 WeakPolarHBondContact CA-OE2 3.46Å; K2264-E2293 HydrophobicContact CB-CG 4.12Å; K2264-E2293 WeakPolarHBondContact CB-OE1 3.26Å; K2264-E2293 WeakPolarHBondContact CD-OE1 3.28Å; K2264-E2293 WeakPolarHBondContact CG-OE1 3.39Å; K2264-E2293 PolarHBondContact N-OE2 3.3Å; K2264-E2293 PolarHBondContact O-N 3.2Å; L2266-E2293 HydrophobicContact CD1-CG 4.13Å; L2266-E2293 HydrophobicContact CD2-CG 3.93Å; L2266-E2293 HydrophobicContact CG-CG 4.11Å |
| 2294 | Q | 89.2 | Confident | 85.9 | Confident | 97 Ų | 97 | 41.3 Ų | 41.3 | 45% | 0.453 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -114.5 | -18.6 | -178.8 | -53.9 | -173.7 | 19.7 | 0 | 0 | 115.1 | S2261 Q2262 F2292 M2320 V2321 | S2261-Q2294 PolarHBondContact O-OE1 3.16Å; S2261-Q2294 VanDerWaalsContact O-OE1 3.13Å; Q2262-Q2294 VanDerWaalsContact O-CB 3.27Å; Q2262-Q2294 WeakPolarHBondContact O-CB 3.38Å; Q2262-Q2294 WeakPolarHBondContact O-CG 3.46Å; Q2262-Q2294 PolarHBondContact O-N 3.23Å; F2292-Q2294 PolarHBondContact O-N 3.09Å; F2292-Q2294 VanDerWaalsContact O-N 3.1Å; Q2294-M2320 HydrophobicContact CB-CE 4.36Å; Q2294-M2320 WeakPolarHBondContact O-CE 3.41Å; Q2294-V2321 WeakPolarHBondContact O-CG2 3.39Å; Q2294-V2321 PolarHBondContact O-N 2.84Å |
| 2295 | S | 90.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 151.6 | -179.9 | 68.3 | 0 | 0 | 0 | 0 | 114.6 | Q2262 F2292 I2319 | Q2262-S2295 PolarHBondContact OE1-OG 3.43Å; F2292-S2295 WeakPolarHBondContact CA-O 3.45Å; F2292-S2295 WeakPolarHBondContact CB-O 3.42Å; F2292-S2295 PolarHBondContact N-O 3.22Å; F2292-S2295 PolarHBondContact O-N 3.5Å; S2295-I2319 CarbonylContact C-O 3.56Å; S2295-I2319 WeakPolarHBondContact CA-O 3.35Å |
| 2296 | V | 91.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 111.4 | 167.1 | -166.5 | 0 | 0 | 0 | 0 | 107.9 | V2289 F2290 L2291 H2318 I2319 L2324 | V2289-V2296 HydrophobicContact CG1-CG1 3.69Å; F2290-V2296 CarbonylContact O-C 3.26Å; F2290-V2296 WeakPolarHBondContact O-CA 3.35Å; L2291-V2296 HydrophobicContact CD1-CG2 3.72Å; V2296-H2318 CarbonylContact O-C 3.59Å; V2296-H2318 WeakPolarHBondContact O-CA 3.49Å; V2296-H2318 WeakPolarHBondContact O-CB 3.48Å; V2296-I2319 PolarHBondContact N-O 3.29Å; V2296-I2319 PolarHBondContact O-N 2.97Å; V2296-L2324 HydrophobicContact CG2-CD1 3.77Å; V2296-L2324 HydrophobicContact CG2-CD2 3.8Å; V2296-L2324 HydrophobicContact CG2-CG 4.46Å |
| 2297 | I | 92.7 | Very high | 81.7 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 131.2 | 179.1 | -53.2 | -174.2 | 0 | 0 | 0 | 109.4 | L2252 F2255 I2259 Q2262 V2289 F2290 F2292 Y2315 H2318 | L2252-I2297 HydrophobicContact CD2-CD1 4.41Å; L2252-I2297 HydrophobicContact CD2-CG2 4.13Å; F2255-I2297 HydrophobicContact CD2-CD1 4.33Å; F2255-I2297 HydrophobicContact CE1-CD1 4.2Å; F2255-I2297 HydrophobicContact CE2-CD1 3.96Å; F2255-I2297 HydrophobicContact CZ-CD1 3.88Å; I2259-I2297 HydrophobicContact CD1-CD1 3.79Å; Q2262-I2297 HydrophobicContact CG-CD1 4.41Å; V2289-I2297 WeakPolarHBondContact CA-O 3.22Å; F2290-I2297 HydrophobicContact CB-CB 4.34Å; F2290-I2297 PolarHBondContact N-O 3.45Å; F2290-I2297 PolarHBondContact O-N 3.16Å; F2292-I2297 HydrophobicContact CD2-CD1 4.15Å; F2292-I2297 HydrophobicContact CD2-CG1 4.23Å; F2292-I2297 HydrophobicContact CE2-CD1 3.75Å; F2292-I2297 HydrophobicContact CE2-CG1 4.16Å; I2297-Y2315 HydrophobicContact CG2-CD2 3.72Å; I2297-Y2315 HydrophobicContact CG2-CE2 4.09Å; I2297-H2318 HydrophobicContact CB-CB 4.39Å; I2297-H2318 HydrophobicContact CG1-CB 4.02Å |
| 2298 | I | 92.1 | Very high | 79.3 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 127.8 | 177.1 | -56.2 | 178.4 | 0 | 0 | 0 | 108.8 | R2287 V2289 K2316 T2317 T2350 | R2287-I2298 HydrophobicContact CB-CG2 4.09Å; R2287-I2298 VanDerWaalsContact CD-CG2 3.45Å; R2287-I2298 HydrophobicContact CG-CG2 4.41Å; V2289-I2298 HydrophobicContact CG2-CG1 4.44Å; I2298-K2316 WeakPolarHBondContact O-CB 3.49Å; I2298-K2316 PolarHBondContact O-N 2.93Å; I2298-T2317 HydrophobicContact CB-CG2 3.93Å; I2298-T2317 HydrophobicContact CD1-CG2 4.25Å; I2298-T2317 HydrophobicContact CG1-CG2 4.45Å; I2298-T2317 PolarHBondContact N-O 3.27Å; I2298-T2317 PolarHBondContact O-N 2.98Å; I2298-T2350 HydrophobicContact CD1-CG2 4.08Å |
| 2299 | A | 92.1 | Very high | 77.3 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 140.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L2252 R2287 R2288 F2290 I2314 | L2252-A2299 HydrophobicContact CD1-CB 3.64Å; R2287-A2299 CarbonylContact C-O 3.57Å; R2287-A2299 WeakPolarHBondContact CA-O 3.47Å; R2287-A2299 VanDerWaalsContact CB-O 3.3Å; R2287-A2299 WeakPolarHBondContact CB-O 3.26Å; R2288-A2299 PolarHBondContact N-O 3.41Å; R2288-A2299 PolarHBondContact O-N 3.29Å; F2290-A2299 HydrophobicContact CE2-CB 4.33Å; A2299-I2314 CarbonylContact C-O 3.54Å; A2299-I2314 WeakPolarHBondContact CA-O 3.32Å; A2299-I2314 VanDerWaalsContact CB-O 3.3Å; A2299-I2314 WeakPolarHBondContact CB-O 3.35Å |
| 2300 | D | 88.6 | Confident | 75.6 | Confident | 50 Ų | 50 | 69.8 Ų | 69.8 | 27% | 0.267 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 131.9 | 173.8 | -69 | -36.8 | 0 | 0 | 0 | 109.9 | R2287 I2314 K2316 | R2287-D2300 IonicContact NE-OD1 3.09Å; D2300-I2314 PolarHBondContact N-O 2.96Å; D2300-I2314 PolarHBondContact O-N 3.36Å; D2300-K2316 IonicContact OD1-NZ 3.76Å; D2300-K2316 PolarHBondContact OD1-NZ 3.13Å; D2300-K2316 IonicContact OD2-NZ 3.92Å; D2300-K2316 PolarHBondContact OD2-NZ 3.04Å |
| 2301 | C | 80.1 | Confident | 74.5 | Confident | 37 Ų | 37 | 71.6 Ų | 71.6 | 25% | 0.25 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 120.1 | 176.4 | -73.8 | 0 | 0 | 0 | 0 | 110.4 | R2288 | R2288-C2301 PolarHBondContact N-SG 3.13Å; R2288-C2301 VanDerWaalsContact N-SG 3.37Å |
| 2302 | I | 77.1 | Confident | 73.7 | Confident | 83 Ų | 83 | 74.8 Ų | 74.8 | 43% | 0.426 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 109.3 | 172.6 | -60 | -171.6 | 0 | 0 | 0 | 109.4 | P2311 N2312 I2314 | I2302-P2311 WeakPolarHBondContact O-CA 3.35Å; I2302-N2312 PolarHBondContact N-O 3.17Å; I2302-N2312 PolarHBondContact O-N 3Å; I2302-I2314 HydrophobicContact CD1-CD1 3.45Å; I2302-I2314 VanDerWaalsContact CD1-CD1 3.45Å; I2302-I2314 HydrophobicContact CD1-CG1 3.83Å |
| 2303 | L | 67.5 | Low | 73.5 | Confident | 144 Ų | 144 | 75 Ų | 75 | 75% | 0.754 | 37% | 0.372 | S | S | * | . | trans | -66 | 132 | 166.8 | -68.3 | 171.4 | 0 | 0 | 0 | 109.5 | ||||
| 2304 | P | 57.6 | Low | 73.5 | Confident | 49 Ų | 49 | 75 Ų | 75 | 32% | 0.318 | 37% | 0.374 | S | S | . | . | trans | -78.7 | 152.4 | -176.7 | 30.4 | -31.5 | 0 | 0 | 0 | 111.8 | R2306 A2309 | P2304-R2306 PolarHBondContact O-N 3.32Å; P2304-A2309 HydrophobicContact CB-CB 3.74Å; P2304-A2309 HydrophobicContact CG-CB 3.46Å; P2304-A2309 VanDerWaalsContact CG-CB 3.46Å; P2304-A2309 WeakPolarHBondContact CG-O 3.5Å | ||
| 2305 | K | 55.5 | Low | 73.6 | Confident | 221 Ų | 221 | 73.3 Ų | 73.3 | 96% | 0.961 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -69 | 9.8 | -179.7 | -61.9 | -174.3 | 177.9 | -177.3 | 0 | 115.2 | ||
| 2306 | R | 55.7 | Low | 73.4 | Confident | 207 Ų | 207 | 76.7 Ų | 76.7 | 78% | 0.781 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -132.9 | 127.6 | 177.3 | -68 | -176.1 | -179.6 | 176.6 | 0.5 | 107.9 | P2304 F2308 A2309 | P2304-R2306 PolarHBondContact O-N 3.32Å; R2306-F2308 PolarHBondContact O-N 3.39Å; R2306-A2309 PolarHBondContact O-N 3.11Å; R2306-A2309 VanDerWaalsContact O-N 3.11Å |
| 2307 | E | 47.5 | Very low | 73.3 | Confident | 191 Ų | 191 | 78.6 Ų | 78.6 | 89% | 0.893 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -18.7 | -165.5 | -59.1 | 178.8 | 143.8 | 0 | 0 | 115.1 | ||
| 2308 | F | 40.1 | Very low | 73.1 | Confident | 201 Ų | 201 | 81.6 Ų | 81.6 | 88% | 0.882 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | 6.8 | -177.5 | -60.8 | -76.7 | 0 | 0 | 0 | 114.8 | R2306 | R2306-F2308 PolarHBondContact O-N 3.39Š|
| 2309 | A | 48.6 | Very low | 73 | Confident | 52 Ų | 52 | 81.8 Ų | 81.8 | 43% | 0.43 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -89.5 | 151 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | P2304 R2306 | P2304-A2309 HydrophobicContact CB-CB 3.74Å; P2304-A2309 HydrophobicContact CG-CB 3.46Å; P2304-A2309 VanDerWaalsContact CG-CB 3.46Å; P2304-A2309 WeakPolarHBondContact CG-O 3.5Å; R2306-A2309 PolarHBondContact O-N 3.11Å; R2306-A2309 VanDerWaalsContact O-N 3.11Å |
| 2310 | S | 57.4 | Low | 72.8 | Confident | 63 Ų | 63 | 84.7 Ų | 84.7 | 44% | 0.441 | 42% | 0.419 | S | S | . | . | P | Polyproline II helix | trans | -75.7 | 146.2 | 175 | 58.7 | 0 | 0 | 0 | 0 | 112.2 | ||
| 2311 | P | 69.3 | Low | 72.7 | Confident | 39 Ų | 39 | 82.5 Ų | 82.5 | 25% | 0.253 | 41% | 0.407 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 145.7 | 177.3 | 28.3 | -35.3 | 0 | 0 | 0 | 112.8 | I2302 Y2313 | I2302-P2311 WeakPolarHBondContact O-CA 3.35Å; P2311-Y2313 HydrophobicContact CB-CE1 4.47Å; P2311-Y2313 HydrophobicContact CG-CE1 4.38Å |
| 2312 | N | 77.6 | Confident | 72.7 | Confident | 67 Ų | 67 | 86.4 Ų | 86.4 | 36% | 0.358 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 154.8 | 168.8 | -76.4 | -19.1 | 0 | 0 | 0 | 110 | I2302 | I2302-N2312 PolarHBondContact N-O 3.17Å; I2302-N2312 PolarHBondContact O-N 3Å |
| 2313 | Y | 86.5 | Confident | 73.1 | Confident | 4 Ų | 4 | 85.8 Ų | 85.8 | 2% | 0.016 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 121.4 | 179.8 | -47.6 | -59.5 | 0 | 0 | 0 | 109.4 | H2248 R2251 L2252 Q2253 R2288 F2290 P2311 | H2248-Y2313 HydrophobicContact CB-CE2 4.35Å; H2248-Y2313 AromaticContact ND1-CE2 3.93Å; H2248-Y2313 AromaticContact ND1-CZ 3.88Å; H2248-Y2313 PolarHBondContact ND1-OH 3.16Å; R2251-Y2313 HydrophobicContact CB-CD2 3.89Å; R2251-Y2313 HydrophobicContact CB-CE2 4.1Å; R2251-Y2313 PolarHBondContact O-N 2.99Å; L2252-Y2313 CarbonylContact C-O 3.59Å; L2252-Y2313 WeakPolarHBondContact CA-O 3.1Å; Q2253-Y2313 PolarHBondContact N-O 3.34Å; R2288-Y2313 HydrophobicContact CB-CD1 3.67Å; R2288-Y2313 HydrophobicContact CB-CE1 3.92Å; R2288-Y2313 HydrophobicContact CB-CG 4.19Å; R2288-Y2313 HydrophobicContact CG-CD1 3.98Å; R2288-Y2313 HydrophobicContact CG-CE1 3.8Å; R2288-Y2313 HydrophobicContact CG-CE2 4.43Å; R2288-Y2313 HydrophobicContact CG-CG 4.38Å; F2290-Y2313 HydrophobicContact CE2-CD2 4.41Å; F2290-Y2313 HydrophobicContact CE2-CG 4.5Å; F2290-Y2313 AromaticContact CZ-CD2 3.74Å; F2290-Y2313 HydrophobicContact CZ-CD2 3.74Å; F2290-Y2313 HydrophobicContact CZ-CE2 4.1Å; F2290-Y2313 HydrophobicContact CZ-CG 4.23Å; P2311-Y2313 HydrophobicContact CB-CE1 4.47Å; P2311-Y2313 HydrophobicContact CG-CE1 4.38Å |
| 2314 | I | 85.9 | Confident | 74.2 | Confident | 68 Ų | 68 | 79 Ų | 79 | 35% | 0.349 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 123.1 | 173.7 | -62.3 | -166.2 | 0 | 0 | 0 | 108.9 | A2299 D2300 I2302 K2316 | A2299-I2314 CarbonylContact C-O 3.54Å; A2299-I2314 WeakPolarHBondContact CA-O 3.32Å; A2299-I2314 VanDerWaalsContact CB-O 3.3Å; A2299-I2314 WeakPolarHBondContact CB-O 3.35Å; D2300-I2314 PolarHBondContact N-O 2.96Å; D2300-I2314 PolarHBondContact O-N 3.36Å; I2302-I2314 HydrophobicContact CD1-CD1 3.45Å; I2302-I2314 VanDerWaalsContact CD1-CD1 3.45Å; I2302-I2314 HydrophobicContact CD1-CG1 3.83Å; I2314-K2316 PolarHBondContact O-N 3.26Å |
| 2315 | Y | 91.1 | Very high | 75.6 | Confident | 61 Ų | 61 | 76.9 Ų | 76.9 | 24% | 0.239 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.4 | 134.3 | 175 | 167.9 | -101.5 | 0 | 0 | 0 | 111.2 | Q2253 G2254 F2255 I2297 T2317 H2318 | Q2253-Y2315 WeakPolarHBondContact O-CB 3.23Å; Q2253-Y2315 PolarHBondContact O-N 3.49Å; G2254-Y2315 VanDerWaalsContact O-CD1 3.3Å; G2254-Y2315 WeakPolarHBondContact O-CD1 3.46Å; F2255-Y2315 HydrophobicContact CB-CD2 4.24Å; F2255-Y2315 HydrophobicContact CB-CG 4.06Å; F2255-Y2315 AromaticContact CD2-CD2 3.6Å; F2255-Y2315 HydrophobicContact CD2-CD2 3.6Å; F2255-Y2315 AromaticContact CD2-CE2 3.65Å; F2255-Y2315 HydrophobicContact CD2-CE2 3.65Å; F2255-Y2315 HydrophobicContact CD2-CG 4.09Å; F2255-Y2315 HydrophobicContact CE2-CD2 4.46Å; F2255-Y2315 HydrophobicContact CE2-CE2 4.13Å; F2255-Y2315 HydrophobicContact CG-CD2 4.37Å; I2297-Y2315 HydrophobicContact CG2-CD2 3.72Å; I2297-Y2315 HydrophobicContact CG2-CE2 4.09Å; Y2315-T2317 VanDerWaalsContact CE2-C 3.4Å; Y2315-T2317 WeakPolarHBondContact CE2-O 3.39Å; Y2315-H2318 HydrophobicContact CE2-CB 4.19Å; Y2315-H2318 AromaticContact CE2-ND1 3.9Å; Y2315-H2318 AromaticContact CZ-ND1 3.79Å; Y2315-H2318 PolarHBondContact OH-ND1 3.36Å |
| 2316 | K | 88 | Confident | 77.3 | Confident | 70 Ų | 70 | 68.1 Ų | 68.1 | 30% | 0.304 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | -49.3 | -179.3 | -162.6 | -154.1 | -158.5 | 76.5 | 0 | 112.3 | I2298 D2300 I2314 | I2298-K2316 WeakPolarHBondContact O-CB 3.49Å; I2298-K2316 PolarHBondContact O-N 2.93Å; D2300-K2316 IonicContact OD1-NZ 3.76Å; D2300-K2316 PolarHBondContact OD1-NZ 3.13Å; D2300-K2316 IonicContact OD2-NZ 3.92Å; D2300-K2316 PolarHBondContact OD2-NZ 3.04Å; I2314-K2316 PolarHBondContact O-N 3.26Å |
| 2317 | T | 87.7 | Confident | 78.7 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 25% | 0.252 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.1 | 164.6 | -179.3 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | I2298 Y2315 | I2298-T2317 HydrophobicContact CB-CG2 3.93Å; I2298-T2317 HydrophobicContact CD1-CG2 4.25Å; I2298-T2317 HydrophobicContact CG1-CG2 4.45Å; I2298-T2317 PolarHBondContact N-O 3.27Å; I2298-T2317 PolarHBondContact O-N 2.98Å; Y2315-T2317 VanDerWaalsContact CE2-C 3.4Å; Y2315-T2317 WeakPolarHBondContact CE2-O 3.39Å |
| 2318 | H | 90.2 | Very high | 80.5 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 29% | 0.292 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 157.8 | 167.2 | 69.7 | -73.4 | 0 | 0 | 0 | 111.2 | V2296 I2297 Y2315 | V2296-H2318 CarbonylContact O-C 3.59Å; V2296-H2318 WeakPolarHBondContact O-CA 3.49Å; V2296-H2318 WeakPolarHBondContact O-CB 3.48Å; I2297-H2318 HydrophobicContact CB-CB 4.39Å; I2297-H2318 HydrophobicContact CG1-CB 4.02Å; Y2315-H2318 HydrophobicContact CE2-CB 4.19Å; Y2315-H2318 AromaticContact CE2-ND1 3.9Å; Y2315-H2318 AromaticContact CZ-ND1 3.79Å; Y2315-H2318 PolarHBondContact OH-ND1 3.36Å |
| 2319 | I | 89.3 | Confident | 82.2 | Confident | 6 Ų | 6 | 50.5 Ų | 50.5 | 3% | 0.031 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121.9 | 172.4 | -58.2 | 170.6 | 0 | 0 | 0 | 107.3 | S2295 V2296 L2324 I2339 N2341 | S2295-I2319 CarbonylContact C-O 3.56Å; S2295-I2319 WeakPolarHBondContact CA-O 3.35Å; V2296-I2319 PolarHBondContact N-O 3.29Å; V2296-I2319 PolarHBondContact O-N 2.97Å; I2319-L2324 HydrophobicContact CB-CD1 4.14Å; I2319-L2324 HydrophobicContact CD1-CD1 4.39Å; I2319-L2324 HydrophobicContact CG2-CB 4.33Å; I2319-L2324 HydrophobicContact CG2-CD1 3.71Å; I2319-I2339 HydrophobicContact CD1-CG2 3.85Å; I2319-N2341 HydrophobicContact CD1-CB 4.07Å; I2319-N2341 HydrophobicContact CG1-CB 4.26Å; I2319-N2341 HydrophobicContact CG2-CB 4.45Å |
| 2320 | M | 88 | Confident | 83.6 | Confident | 62 Ų | 62 | 49.5 Ų | 49.5 | 31% | 0.305 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 138 | 171.6 | -64 | -60.6 | -64.3 | 0 | 0 | 109.4 | Q2294 N2322 K2323 L2324 | Q2294-M2320 HydrophobicContact CB-CE 4.36Å; Q2294-M2320 WeakPolarHBondContact O-CE 3.41Å; M2320-N2322 VanDerWaalsContact C-N 3.26Å; M2320-N2322 VanDerWaalsContact CB-OD1 3.3Å; M2320-N2322 WeakPolarHBondContact CB-OD1 3.46Å; M2320-N2322 PolarHBondContact O-N 3.41Å; M2320-K2323 HydrophobicContact CB-CG 4.47Å; M2320-K2323 CarbonylContact O-C 3.6Å; M2320-K2323 WeakPolarHBondContact O-CA 3.44Å; M2320-K2323 PolarHBondContact O-N 3.43Å; M2320-L2324 PolarHBondContact O-N 2.91Å |
| 2321 | V | 85.9 | Confident | 83.9 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.018 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -63.7 | -32.3 | -169.6 | -179.7 | 0 | 0 | 0 | 0 | 112 | Q2294 K2323 L2324 L2370 Q2374 | Q2294-V2321 WeakPolarHBondContact O-CG2 3.39Å; Q2294-V2321 PolarHBondContact O-N 2.84Å; V2321-K2323 PolarHBondContact O-N 2.95Å; V2321-K2323 VanDerWaalsContact O-N 3.12Å; V2321-L2324 HydrophobicContact CG1-CD2 4.33Å; V2321-L2324 WeakPolarHBondContact O-CB 3.3Å; V2321-L2324 PolarHBondContact O-N 3.35Å; V2321-L2370 HydrophobicContact CB-CD2 4.47Å; V2321-L2370 HydrophobicContact CG1-CD1 4.44Å; V2321-L2370 HydrophobicContact CG1-CD2 3.87Å; V2321-L2370 HydrophobicContact CG1-CG 3.77Å; V2321-L2370 HydrophobicContact CG2-CD2 3.68Å; V2321-L2370 HydrophobicContact CG2-CG 4.42Å; V2321-Q2374 HydrophobicContact CG1-CG 3.72Å |
| 2322 | N | 79.5 | Confident | 84.1 | Confident | 120 Ų | 120 | 54.7 Ų | 54.7 | 64% | 0.642 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -65.5 | -10.5 | 172.7 | 66.5 | -11.2 | 0 | 0 | 0 | 114.5 | M2320 | M2320-N2322 VanDerWaalsContact C-N 3.26Å; M2320-N2322 VanDerWaalsContact CB-OD1 3.3Å; M2320-N2322 WeakPolarHBondContact CB-OD1 3.46Å; M2320-N2322 PolarHBondContact O-N 3.41Å |
| 2323 | K | 86.5 | Confident | 84.1 | Confident | 70 Ų | 70 | 55 Ų | 55 | 30% | 0.304 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -109.9 | 5.3 | 171.1 | -48 | -162.9 | -171.4 | -175.3 | 0 | 112.6 | M2320 V2321 K2342 D2343 | M2320-K2323 HydrophobicContact CB-CG 4.47Å; M2320-K2323 CarbonylContact O-C 3.6Å; M2320-K2323 WeakPolarHBondContact O-CA 3.44Å; M2320-K2323 PolarHBondContact O-N 3.43Å; V2321-K2323 PolarHBondContact O-N 2.95Å; V2321-K2323 VanDerWaalsContact O-N 3.12Å; K2323-K2342 VanDerWaalsContact O-CB 3.31Å; K2323-K2342 WeakPolarHBondContact O-CB 3.42Å; K2323-K2342 PolarHBondContact O-N 3.4Å; K2323-D2343 HydrophobicContact CB-CB 4.45Å; K2323-D2343 HydrophobicContact CD-CB 3.48Å; K2323-D2343 VanDerWaalsContact CD-CB 3.48Å; K2323-D2343 WeakPolarHBondContact CD-OD2 3.43Å; K2323-D2343 IonicContact NZ-OD1 2.65Å; K2323-D2343 PolarHBondContact NZ-OD1 3.38Å; K2323-D2343 IonicContact NZ-OD2 2.84Å; K2323-D2343 PolarHBondContact NZ-OD2 2.89Å |
| 2324 | L | 90.8 | Very high | 83.7 | Confident | 1 Ų | 1 | 59.4 Ų | 59.4 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 143.9 | -175.7 | -165.1 | 71 | 0 | 0 | 0 | 111.9 | V2296 I2319 M2320 V2321 I2339 K2342 I2367 L2371 | V2296-L2324 HydrophobicContact CG2-CD1 3.77Å; V2296-L2324 HydrophobicContact CG2-CD2 3.8Å; V2296-L2324 HydrophobicContact CG2-CG 4.46Å; I2319-L2324 HydrophobicContact CB-CD1 4.14Å; I2319-L2324 HydrophobicContact CD1-CD1 4.39Å; I2319-L2324 HydrophobicContact CG2-CB 4.33Å; I2319-L2324 HydrophobicContact CG2-CD1 3.71Å; M2320-L2324 PolarHBondContact O-N 2.91Å; V2321-L2324 HydrophobicContact CG1-CD2 4.33Å; V2321-L2324 WeakPolarHBondContact O-CB 3.3Å; V2321-L2324 PolarHBondContact O-N 3.35Å; L2324-I2339 HydrophobicContact CD1-CG2 3.4Å; L2324-I2339 VanDerWaalsContact CD1-CG2 3.4Å; L2324-I2339 HydrophobicContact CG-CG2 4.48Å; L2324-K2342 WeakPolarHBondContact O-CD 3.44Å; L2324-K2342 VanDerWaalsContact O-CE 3.26Å; L2324-K2342 WeakPolarHBondContact O-CE 3.37Å; L2324-K2342 PolarHBondContact O-NZ 2.92Å; L2324-I2367 HydrophobicContact CD2-CG2 4.09Å; L2324-L2371 HydrophobicContact CB-CD2 4.06Å; L2324-L2371 HydrophobicContact CD2-CD2 4.19Å; L2324-L2371 HydrophobicContact CD2-CG 4.4Å; L2324-L2371 HydrophobicContact CG-CD2 4.34Å |
| 2325 | G | 86.6 | Confident | 83.8 | Confident | 4 Ų | 4 | 58.7 Ų | 58.7 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 157.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | K2340 | G2325-K2340 PolarHBondContact N-O 3.48Å; G2325-K2340 PolarHBondContact O-N 3.15Å |
| 2326 | L | 91.8 | Very high | 83.7 | Confident | 37 Ų | 37 | 58.4 Ų | 58.4 | 19% | 0.194 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 135.1 | 177.8 | 178.8 | 66.4 | 0 | 0 | 0 | 109 | V2328 F2337 I2338 I2364 I2367 K2368 L2371 | L2326-V2328 HydrophobicContact CD2-CG2 4.03Å; L2326-V2328 HydrophobicContact CG-CG2 4.19Å; L2326-F2337 HydrophobicContact CD1-CB 4.5Å; L2326-F2337 HydrophobicContact CD1-CD2 3.71Å; L2326-F2337 HydrophobicContact CD1-CE2 4.42Å; L2326-I2338 WeakPolarHBondContact CA-O 3.42Å; L2326-I2364 HydrophobicContact CD2-CG1 4.42Å; L2326-I2364 HydrophobicContact CD2-CG2 4.22Å; L2326-I2367 HydrophobicContact CB-CG2 4.19Å; L2326-I2367 HydrophobicContact CD1-CG2 4.38Å; L2326-I2367 HydrophobicContact CD2-CB 4.3Å; L2326-I2367 HydrophobicContact CD2-CG2 3.91Å; L2326-I2367 HydrophobicContact CG-CG2 4.39Å; L2326-K2368 HydrophobicContact CD2-CG 4.2Å; L2326-L2371 HydrophobicContact CB-CD1 3.79Å |
| 2327 | E | 84.8 | Confident | 83.9 | Confident | 81 Ų | 81 | 55.1 Ų | 55.1 | 38% | 0.379 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 115.1 | 166.7 | 177.2 | 168.8 | -136.2 | 0 | 0 | 107.3 | F2337 I2338 K2340 | E2327-F2337 WeakPolarHBondContact O-CA 3.43Å; E2327-F2337 WeakPolarHBondContact O-CB 3.14Å; E2327-I2338 HydrophobicContact CB-CB 4.22Å; E2327-I2338 PolarHBondContact N-O 3.39Å; E2327-I2338 PolarHBondContact O-N 2.66Å; E2327-K2340 WeakPolarHBondContact OE2-CE 3.45Å; E2327-K2340 IonicContact OE2-NZ 3.63Å; E2327-K2340 PolarHBondContact OE2-NZ 2.93Å |
| 2328 | V | 84.4 | Confident | 83.9 | Confident | 36 Ų | 36 | 54.3 Ų | 54.3 | 22% | 0.218 | 31% | 0.308 | C | S | . | . | trans | -77.1 | -33.7 | -166 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | L2326 K2360 I2364 | L2326-V2328 HydrophobicContact CD2-CG2 4.03Å; L2326-V2328 HydrophobicContact CG-CG2 4.19Å; V2328-K2360 WeakPolarHBondContact O-CE 3.46Å; V2328-K2360 PolarHBondContact O-NZ 3.09Å; V2328-I2364 HydrophobicContact CB-CD1 4.34Å; V2328-I2364 HydrophobicContact CG1-CD1 3.93Å; V2328-I2364 HydrophobicContact CG2-CD1 4.33Å; V2328-I2364 HydrophobicContact CG2-CG2 4.12Å | ||
| 2329 | D | 76.9 | Confident | 83.9 | Confident | 113 Ų | 113 | 51.5 Ų | 51.5 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | trans | -124.1 | 124.8 | -169.6 | -64.7 | -55.7 | 0 | 0 | 0 | 111.7 | K2360 | D2329-K2360 IonicContact OD1-NZ 3.22Š| ||
| 2330 | V | 76.4 | Confident | 83.7 | Confident | 31 Ų | 31 | 53.9 Ų | 53.9 | 19% | 0.188 | 31% | 0.306 | C | S | . | . | trans | -106.4 | 117.1 | 172.4 | -177.8 | 0 | 0 | 0 | 0 | 107.5 | G2332 E2333 R2336 I2338 | V2330-G2332 PolarHBondContact O-N 3.42Å; V2330-G2332 VanDerWaalsContact O-N 3.08Å; V2330-E2333 HydrophobicContact CB-CB 4.26Å; V2330-E2333 HydrophobicContact CG1-CB 4.13Å; V2330-E2333 HydrophobicContact CG1-CG 4.5Å; V2330-E2333 PolarHBondContact O-N 2.97Å; V2330-R2336 HydrophobicContact CB-CB 4.19Å; V2330-R2336 HydrophobicContact CG2-CB 3.92Å; V2330-I2338 HydrophobicContact CG2-CD1 4.15Å; V2330-I2338 HydrophobicContact CG2-CG1 3.9Å | ||
| 2331 | P | 64.6 | Low | 83.6 | Confident | 131 Ų | 131 | 51.6 Ų | 51.6 | 85% | 0.851 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.4 | 116.1 | -174.8 | -30 | 36.5 | 0 | 0 | 0 | 113.4 | ||
| 2332 | G | 73.7 | Confident | 83.4 | Confident | 80 Ų | 80 | 57.1 Ų | 57.1 | 83% | 0.825 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.4 | -6.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V2330 P2334 | V2330-G2332 PolarHBondContact O-N 3.42Å; V2330-G2332 VanDerWaalsContact O-N 3.08Å; G2332-P2334 WeakPolarHBondContact O-CD 3.35Å |
| 2333 | E | 76.8 | Confident | 83.3 | Confident | 73 Ų | 73 | 52.8 Ų | 52.8 | 34% | 0.341 | 30% | 0.295 | S | S | . | . | trans | -125.5 | 76.2 | -173.2 | -61.6 | -165.5 | 131.4 | 0 | 0 | 112.2 | V2330 L2335 R2336 | V2330-E2333 HydrophobicContact CB-CB 4.26Å; V2330-E2333 HydrophobicContact CG1-CB 4.13Å; V2330-E2333 HydrophobicContact CG1-CG 4.5Å; V2330-E2333 PolarHBondContact O-N 2.97Å; E2333-L2335 VanDerWaalsContact C-N 3.3Å; E2333-L2335 PolarHBondContact O-N 3.46Å; E2333-L2335 VanDerWaalsContact O-N 3.13Å; E2333-R2336 HydrophobicContact CB-CB 4.27Å; E2333-R2336 HydrophobicContact CB-CG 4.12Å; E2333-R2336 PolarHBondContact O-N 2.74Å; E2333-R2336 IonicContact OE1-CZ 3.73Å; E2333-R2336 VanDerWaalsContact OE1-CZ 3.24Å; E2333-R2336 IonicContact OE1-NH1 3.72Å; E2333-R2336 PolarHBondContact OE1-NH1 2.95Å; E2333-R2336 IonicContact OE1-NH2 2.65Å; E2333-R2336 PolarHBondContact OE1-NH2 3.14Å; E2333-R2336 WeakPolarHBondContact OE2-CD 3.37Å; E2333-R2336 IonicContact OE2-CZ 2.7Å; E2333-R2336 IonicContact OE2-NE 2.72Å; E2333-R2336 IonicContact OE2-NH1 3.31Å; E2333-R2336 PolarHBondContact OE2-NH1 3.06Å | ||
| 2334 | P | 79.4 | Confident | 82.5 | Confident | 96 Ų | 96 | 55 Ų | 55 | 62% | 0.623 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.1 | -30.3 | -163.7 | 22.8 | -34.5 | 0 | 0 | 0 | 115 | G2332 R2336 K2360 | G2332-P2334 WeakPolarHBondContact O-CD 3.35Å; P2334-R2336 VanDerWaalsContact C-N 3.28Å; P2334-R2336 PolarHBondContact O-N 2.81Å; P2334-K2360 VanDerWaalsContact O-CD 3.25Å; P2334-K2360 WeakPolarHBondContact O-CD 3.35Å; P2334-K2360 WeakPolarHBondContact O-CE 3.32Å; P2334-K2360 PolarHBondContact O-NZ 3.06Å |
| 2335 | L | 87.1 | Confident | 81.3 | Confident | 54 Ų | 54 | 60.1 Ų | 60.1 | 28% | 0.283 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | 1.3 | 179 | -64.4 | 178 | 0 | 0 | 0 | 114.1 | E2333 Q2353 A2354 L2357 | E2333-L2335 VanDerWaalsContact C-N 3.3Å; E2333-L2335 PolarHBondContact O-N 3.46Å; E2333-L2335 VanDerWaalsContact O-N 3.13Å; L2335-Q2353 HydrophobicContact CB-CG 4.28Å; L2335-A2354 PolarHBondContact O-N 3.27Å; L2335-L2357 HydrophobicContact CD2-CB 4.28Å |
| 2336 | R | 89 | Confident | 80.4 | Confident | 55 Ų | 55 | 64 Ų | 64 | 21% | 0.208 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 154.1 | 179.9 | -60.3 | -149.4 | -175.9 | 129.3 | 16.2 | 113.1 | V2330 E2333 P2334 V2352 Q2353 K2360 | V2330-R2336 HydrophobicContact CB-CB 4.19Å; V2330-R2336 HydrophobicContact CG2-CB 3.92Å; E2333-R2336 HydrophobicContact CB-CB 4.27Å; E2333-R2336 HydrophobicContact CB-CG 4.12Å; E2333-R2336 PolarHBondContact O-N 2.74Å; E2333-R2336 IonicContact OE1-CZ 3.73Å; E2333-R2336 VanDerWaalsContact OE1-CZ 3.24Å; E2333-R2336 IonicContact OE1-NH1 3.72Å; E2333-R2336 PolarHBondContact OE1-NH1 2.95Å; E2333-R2336 IonicContact OE1-NH2 2.65Å; E2333-R2336 PolarHBondContact OE1-NH2 3.14Å; E2333-R2336 WeakPolarHBondContact OE2-CD 3.37Å; E2333-R2336 IonicContact OE2-CZ 2.7Å; E2333-R2336 IonicContact OE2-NE 2.72Å; E2333-R2336 IonicContact OE2-NH1 3.31Å; E2333-R2336 PolarHBondContact OE2-NH1 3.06Å; P2334-R2336 VanDerWaalsContact C-N 3.28Å; P2334-R2336 PolarHBondContact O-N 2.81Å; R2336-V2352 VanDerWaalsContact CA-O 3.26Å; R2336-V2352 WeakPolarHBondContact CA-O 3.37Å; R2336-Q2353 HydrophobicContact CG-CB 3.86Å; R2336-Q2353 HydrophobicContact CG-CG 4.03Å; R2336-K2360 VanDerWaalsContact O-CE 3.3Å; R2336-K2360 WeakPolarHBondContact O-CE 3.12Å; R2336-K2360 PolarHBondContact O-NZ 2.77Å |
| 2337 | F | 92.3 | Very high | 79.1 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 161.4 | 169.9 | 61.2 | -82.6 | 0 | 0 | 0 | 108.6 | L2271 L2326 E2327 I2339 V2352 K2360 W2363 I2364 I2367 | L2271-F2337 HydrophobicContact CD1-CZ 4.28Å; L2326-F2337 HydrophobicContact CD1-CB 4.5Å; L2326-F2337 HydrophobicContact CD1-CD2 3.71Å; L2326-F2337 HydrophobicContact CD1-CE2 4.42Å; E2327-F2337 WeakPolarHBondContact O-CA 3.43Å; E2327-F2337 WeakPolarHBondContact O-CB 3.14Å; F2337-I2339 HydrophobicContact CD2-CG1 4.19Å; F2337-I2339 HydrophobicContact CE2-CD1 4.09Å; F2337-I2339 HydrophobicContact CE2-CG1 3.96Å; F2337-V2352 HydrophobicContact CD1-CB 4.46Å; F2337-V2352 HydrophobicContact CD2-CB 4.26Å; F2337-V2352 HydrophobicContact CE1-CB 4.16Å; F2337-V2352 HydrophobicContact CE1-CG1 3.81Å; F2337-V2352 HydrophobicContact CE2-CB 3.96Å; F2337-V2352 HydrophobicContact CE2-CG1 4.01Å; F2337-V2352 HydrophobicContact CE2-CG2 4.44Å; F2337-V2352 HydrophobicContact CZ-CB 3.91Å; F2337-V2352 HydrophobicContact CZ-CG1 3.51Å; F2337-V2352 PolarHBondContact N-O 3.25Å; F2337-V2352 PolarHBondContact O-N 3.23Å; F2337-K2360 HydrophobicContact CD1-CG 4.04Å; F2337-K2360 HydrophobicContact CE1-CG 4.48Å; F2337-W2363 HydrophobicContact CZ-CB 4.01Å; F2337-I2364 HydrophobicContact CB-CD1 3.99Å; F2337-I2364 HydrophobicContact CD1-CD1 4.43Å; F2337-I2364 HydrophobicContact CD2-CG1 4.49Å; F2337-I2364 HydrophobicContact CG-CD1 4.19Å; F2337-I2364 HydrophobicContact CG-CG1 4.34Å; F2337-I2367 HydrophobicContact CE2-CD1 4.23Å |
| 2338 | I | 88.5 | Confident | 78.4 | Confident | 24 Ų | 24 | 67.1 Ų | 67.1 | 12% | 0.123 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125.1 | -177.6 | -50.9 | -176.6 | 0 | 0 | 0 | 109.7 | L2326 E2327 V2330 K2340 D2349 V2351 | L2326-I2338 WeakPolarHBondContact CA-O 3.42Å; E2327-I2338 HydrophobicContact CB-CB 4.22Å; E2327-I2338 PolarHBondContact N-O 3.39Å; E2327-I2338 PolarHBondContact O-N 2.66Å; V2330-I2338 HydrophobicContact CG2-CD1 4.15Å; V2330-I2338 HydrophobicContact CG2-CG1 3.9Å; I2338-K2340 HydrophobicContact CG2-CG 4.14Å; I2338-D2349 HydrophobicContact CG2-CB 3.86Å; I2338-V2351 HydrophobicContact CD1-CG2 4.2Å; I2338-V2351 HydrophobicContact CG1-CG2 4.22Å |
| 2339 | I | 89.8 | Confident | 78.1 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 115.8 | 170.5 | -58.8 | -178.2 | 0 | 0 | 0 | 107.6 | I2319 L2324 F2337 T2350 V2352 I2367 | I2319-I2339 HydrophobicContact CD1-CG2 3.85Å; L2324-I2339 HydrophobicContact CD1-CG2 3.4Å; L2324-I2339 VanDerWaalsContact CD1-CG2 3.4Å; L2324-I2339 HydrophobicContact CG-CG2 4.48Å; F2337-I2339 HydrophobicContact CD2-CG1 4.19Å; F2337-I2339 HydrophobicContact CE2-CD1 4.09Å; F2337-I2339 HydrophobicContact CE2-CG1 3.96Å; I2339-T2350 PolarHBondContact N-O 3.26Å; I2339-T2350 WeakPolarHBondContact O-CB 3.42Å; I2339-T2350 PolarHBondContact O-N 2.59Å; I2339-V2352 HydrophobicContact CD1-CG2 3.91Å; I2339-V2352 HydrophobicContact CG1-CG2 3.98Å; I2339-I2367 HydrophobicContact CD1-CD1 4.16Å |
| 2340 | K | 85.2 | Confident | 78.5 | Confident | 57 Ų | 57 | 63.2 Ų | 63.2 | 25% | 0.248 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 134.4 | -175.8 | -52.3 | -156.5 | 178.6 | -135.4 | 0 | 110.9 | G2325 E2327 I2338 D2349 | G2325-K2340 PolarHBondContact N-O 3.48Å; G2325-K2340 PolarHBondContact O-N 3.15Å; E2327-K2340 WeakPolarHBondContact OE2-CE 3.45Å; E2327-K2340 IonicContact OE2-NZ 3.63Å; E2327-K2340 PolarHBondContact OE2-NZ 2.93Å; I2338-K2340 HydrophobicContact CG2-CG 4.14Å; K2340-D2349 VanDerWaalsContact CB-OD1 3.24Å; K2340-D2349 WeakPolarHBondContact CB-OD1 3.46Å; K2340-D2349 WeakPolarHBondContact CD-OD1 3.23Å; K2340-D2349 WeakPolarHBondContact CD-OD2 3.45Å; K2340-D2349 VanDerWaalsContact CE-OD2 3.28Å; K2340-D2349 WeakPolarHBondContact CE-OD2 3.41Å; K2340-D2349 VanDerWaalsContact CG-OD1 3.22Å; K2340-D2349 WeakPolarHBondContact CG-OD1 3.17Å; K2340-D2349 IonicContact NZ-OD2 3.01Å; K2340-D2349 PolarHBondContact NZ-OD2 3.18Å |
| 2341 | N | 86.2 | Confident | 79 | Confident | 13 Ų | 13 | 62.6 Ų | 62.6 | 7% | 0.07 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 110.6 | 167 | -168.3 | 11.2 | 0 | 0 | 0 | 110 | I2319 D2343 N2346 Q2347 A2348 | I2319-N2341 HydrophobicContact CD1-CB 4.07Å; I2319-N2341 HydrophobicContact CG1-CB 4.26Å; I2319-N2341 HydrophobicContact CG2-CB 4.45Å; N2341-D2343 PolarHBondContact O-N 3.15Å; N2341-D2343 VanDerWaalsContact OD1-CB 3.28Å; N2341-D2343 WeakPolarHBondContact OD1-CB 3.49Å; N2341-D2343 PolarHBondContact OD1-N 2.89Å; N2341-N2346 WeakPolarHBondContact CB-O 3.49Å; N2341-N2346 PolarHBondContact ND2-O 3.3Å; N2341-Q2347 WeakPolarHBondContact O-CA 3.46Å; N2341-A2348 PolarHBondContact N-O 3.47Å |
| 2342 | K | 81.4 | Confident | 80.2 | Confident | 120 Ų | 120 | 56.4 Ų | 56.4 | 52% | 0.522 | 33% | 0.326 | S | S | . | . | trans | -78.5 | -0.8 | 177.5 | -61.7 | 170.6 | 178.4 | 157.4 | 0 | 112.9 | K2323 L2324 P2344 | K2323-K2342 VanDerWaalsContact O-CB 3.31Å; K2323-K2342 WeakPolarHBondContact O-CB 3.42Å; K2323-K2342 PolarHBondContact O-N 3.4Å; L2324-K2342 WeakPolarHBondContact O-CD 3.44Å; L2324-K2342 VanDerWaalsContact O-CE 3.26Å; L2324-K2342 WeakPolarHBondContact O-CE 3.37Å; L2324-K2342 PolarHBondContact O-NZ 2.92Å; K2342-P2344 WeakPolarHBondContact O-CD 3.35Å | ||
| 2343 | D | 76.6 | Confident | 81 | Confident | 29 Ų | 29 | 54.7 Ų | 54.7 | 16% | 0.155 | 30% | 0.296 | C | S | . | . | trans | -60.8 | 116.5 | 179.1 | -160.5 | -1.1 | 0 | 0 | 0 | 111.5 | K2323 N2341 S2345 N2346 Q2347 | K2323-D2343 HydrophobicContact CB-CB 4.45Å; K2323-D2343 HydrophobicContact CD-CB 3.48Å; K2323-D2343 VanDerWaalsContact CD-CB 3.48Å; K2323-D2343 WeakPolarHBondContact CD-OD2 3.43Å; K2323-D2343 IonicContact NZ-OD1 2.65Å; K2323-D2343 PolarHBondContact NZ-OD1 3.38Å; K2323-D2343 IonicContact NZ-OD2 2.84Å; K2323-D2343 PolarHBondContact NZ-OD2 2.89Å; N2341-D2343 PolarHBondContact O-N 3.15Å; N2341-D2343 VanDerWaalsContact OD1-CB 3.28Å; N2341-D2343 WeakPolarHBondContact OD1-CB 3.49Å; N2341-D2343 PolarHBondContact OD1-N 2.89Å; D2343-S2345 PolarHBondContact O-N 3.32Å; D2343-S2345 PolarHBondContact OD1-N 2.84Å; D2343-N2346 CarbonylContact O-C 3.59Å; D2343-N2346 VanDerWaalsContact O-C 3.28Å; D2343-N2346 PolarHBondContact O-N 3.37Å; D2343-Q2347 WeakPolarHBondContact O-CG 3.42Å; D2343-Q2347 PolarHBondContact O-N 3.11Å | ||
| 2344 | P | 71.3 | Confident | 81.5 | Confident | 115 Ų | 115 | 51.3 Ų | 51.3 | 75% | 0.747 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -17 | 177.4 | 25.7 | -35.5 | 0 | 0 | 0 | 113.1 | K2342 | K2342-P2344 WeakPolarHBondContact O-CD 3.35Š|
| 2345 | S | 65.1 | Low | 81.8 | Confident | 110 Ų | 110 | 51 Ų | 51 | 77% | 0.769 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -19.4 | 172.2 | -57.7 | 0 | 0 | 0 | 0 | 114.5 | D2343 | D2343-S2345 PolarHBondContact O-N 3.32Å; D2343-S2345 PolarHBondContact OD1-N 2.84Å |
| 2346 | N | 67.5 | Low | 81.7 | Confident | 85 Ų | 85 | 51.5 Ų | 51.5 | 46% | 0.455 | 29% | 0.286 | S | S | . | . | trans | -159.7 | 67.9 | -173.8 | -171.7 | 13.7 | 0 | 0 | 0 | 112.1 | N2341 D2343 A2348 | N2341-N2346 WeakPolarHBondContact CB-O 3.49Å; N2341-N2346 PolarHBondContact ND2-O 3.3Å; D2343-N2346 CarbonylContact O-C 3.59Å; D2343-N2346 VanDerWaalsContact O-C 3.28Å; D2343-N2346 PolarHBondContact O-N 3.37Å; N2346-A2348 VanDerWaalsContact C-N 3.28Å; N2346-A2348 PolarHBondContact O-N 2.94Å | ||
| 2347 | Q | 63.8 | Low | 81.4 | Confident | 151 Ų | 151 | 53.7 Ų | 53.7 | 71% | 0.706 | 30% | 0.302 | S | S | * | . | trans | -75.1 | 78.9 | 176.4 | -65.8 | -171.2 | -18.7 | 0 | 0 | 111.3 | N2341 D2343 | N2341-Q2347 WeakPolarHBondContact O-CA 3.46Å; D2343-Q2347 WeakPolarHBondContact O-CG 3.42Å; D2343-Q2347 PolarHBondContact O-N 3.11Å | ||
| 2348 | A | 70.2 | Confident | 80.9 | Confident | 32 Ų | 32 | 60.7 Ų | 60.7 | 26% | 0.264 | 33% | 0.334 | S | S | . | . | trans | -110.5 | 117.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | N2341 N2346 | N2341-A2348 PolarHBondContact N-O 3.47Å; N2346-A2348 VanDerWaalsContact C-N 3.28Å; N2346-A2348 PolarHBondContact O-N 2.94Å | ||
| 2349 | D | 78.7 | Confident | 80.8 | Confident | 59 Ų | 59 | 61.4 Ų | 61.4 | 32% | 0.316 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 126.4 | 169.4 | -84.2 | 8.2 | 0 | 0 | 0 | 109.1 | I2338 K2340 | I2338-D2349 HydrophobicContact CG2-CB 3.86Å; K2340-D2349 VanDerWaalsContact CB-OD1 3.24Å; K2340-D2349 WeakPolarHBondContact CB-OD1 3.46Å; K2340-D2349 WeakPolarHBondContact CD-OD1 3.23Å; K2340-D2349 WeakPolarHBondContact CD-OD2 3.45Å; K2340-D2349 VanDerWaalsContact CE-OD2 3.28Å; K2340-D2349 WeakPolarHBondContact CE-OD2 3.41Å; K2340-D2349 VanDerWaalsContact CG-OD1 3.22Å; K2340-D2349 WeakPolarHBondContact CG-OD1 3.17Å; K2340-D2349 IonicContact NZ-OD2 3.01Å; K2340-D2349 PolarHBondContact NZ-OD2 3.18Å |
| 2350 | T | 84.8 | Confident | 80.8 | Confident | 8 Ų | 8 | 61.5 Ų | 61.5 | 5% | 0.049 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 109.4 | -176.2 | -56.5 | 0 | 0 | 0 | 0 | 108.5 | V2273 I2298 I2339 V2352 | V2273-T2350 HydrophobicContact CG1-CG2 3.47Å; V2273-T2350 VanDerWaalsContact CG1-CG2 3.47Å; I2298-T2350 HydrophobicContact CD1-CG2 4.08Å; I2339-T2350 PolarHBondContact N-O 3.26Å; I2339-T2350 WeakPolarHBondContact O-CB 3.42Å; I2339-T2350 PolarHBondContact O-N 2.59Å; T2350-V2352 HydrophobicContact CG2-CG2 4.23Å |
| 2351 | V | 86.5 | Confident | 80.9 | Confident | 18 Ų | 18 | 63.2 Ų | 63.2 | 11% | 0.109 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 126.8 | 179.9 | -177.9 | 0 | 0 | 0 | 0 | 109.1 | V2273 A2274 L2282 I2338 | V2273-V2351 WeakPolarHBondContact CA-O 3.23Å; A2274-V2351 PolarHBondContact N-O 2.93Å; A2274-V2351 PolarHBondContact O-N 3.44Å; L2282-V2351 HydrophobicContact CD1-CB 4.48Å; L2282-V2351 HydrophobicContact CD1-CG2 3.79Å; I2338-V2351 HydrophobicContact CD1-CG2 4.2Å; I2338-V2351 HydrophobicContact CG1-CG2 4.22Å |
| 2352 | V | 90.8 | Very high | 80.9 | Confident | 1 Ų | 1 | 67.7 Ų | 67.7 | 1% | 0.006 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 137.3 | -175.4 | -173.3 | 0 | 0 | 0 | 0 | 109.8 | L2271 L2272 V2273 R2336 F2337 I2339 T2350 | L2271-V2352 HydrophobicContact CB-CG1 3.88Å; L2271-V2352 HydrophobicContact CD1-CG1 3.54Å; L2271-V2352 HydrophobicContact CG-CG1 4.28Å; L2272-V2352 CarbonylContact O-C 3.26Å; L2272-V2352 WeakPolarHBondContact O-CA 3.44Å; V2273-V2352 HydrophobicContact CG2-CG1 4.43Å; V2273-V2352 HydrophobicContact CG2-CG2 4.41Å; R2336-V2352 VanDerWaalsContact CA-O 3.26Å; R2336-V2352 WeakPolarHBondContact CA-O 3.37Å; F2337-V2352 HydrophobicContact CD1-CB 4.46Å; F2337-V2352 HydrophobicContact CD2-CB 4.26Å; F2337-V2352 HydrophobicContact CE1-CB 4.16Å; F2337-V2352 HydrophobicContact CE1-CG1 3.81Å; F2337-V2352 HydrophobicContact CE2-CB 3.96Å; F2337-V2352 HydrophobicContact CE2-CG1 4.01Å; F2337-V2352 HydrophobicContact CE2-CG2 4.44Å; F2337-V2352 HydrophobicContact CZ-CB 3.91Å; F2337-V2352 HydrophobicContact CZ-CG1 3.51Å; F2337-V2352 PolarHBondContact N-O 3.25Å; F2337-V2352 PolarHBondContact O-N 3.23Å; I2339-V2352 HydrophobicContact CD1-CG2 3.91Å; I2339-V2352 HydrophobicContact CG1-CG2 3.98Å; T2350-V2352 HydrophobicContact CG2-CG2 4.23Å |
| 2353 | Q | 89.2 | Confident | 81.5 | Confident | 44 Ų | 44 | 62 Ų | 62 | 21% | 0.206 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 127.5 | 174.7 | 179.8 | 173.5 | -24.6 | 0 | 0 | 110.1 | L2272 L2284 L2335 R2336 | L2272-Q2353 HydrophobicContact CB-CB 4.01Å; L2272-Q2353 PolarHBondContact N-O 3.3Å; L2272-Q2353 VanDerWaalsContact N-O 3.11Å; L2272-Q2353 PolarHBondContact O-N 2.9Å; L2284-Q2353 HydrophobicContact CD1-CB 4.49Å; L2335-Q2353 HydrophobicContact CB-CG 4.28Å; R2336-Q2353 HydrophobicContact CG-CB 3.86Å; R2336-Q2353 HydrophobicContact CG-CG 4.03Å |
| 2354 | A | 89 | Confident | 82.1 | Confident | 2 Ų | 2 | 60.6 Ų | 60.6 | 2% | 0.017 | 34% | 0.335 | C | S | . | . | trans | -84.9 | 162.2 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | L2271 L2335 E2359 K2360 | L2271-A2354 HydrophobicContact CD2-CB 4.41Å; L2335-A2354 PolarHBondContact O-N 3.27Å; A2354-E2359 HydrophobicContact CB-CB 4.19Å; A2354-E2359 HydrophobicContact CB-CG 4.08Å; A2354-K2360 HydrophobicContact CB-CB 3.99Å | ||
| 2355 | S | 85.9 | Confident | 83 | Confident | 90 Ų | 90 | 56.9 Ų | 56.9 | 63% | 0.629 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -79.7 | -34.2 | 176.9 | 66.5 | 0 | 0 | 0 | 0 | 112.9 | E2359 | S2355-E2359 VanDerWaalsContact CB-OE2 3.3Å; S2355-E2359 WeakPolarHBondContact CB-OE2 3.29Å; S2355-E2359 PolarHBondContact N-OE2 3.27Å; S2355-E2359 PolarHBondContact OG-OE2 3.19Å |
| 2356 | T | 85 | Confident | 84.1 | Confident | 65 Ų | 65 | 54.4 Ų | 54.4 | 40% | 0.399 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -132.6 | 164.4 | 177.4 | 70.1 | 0 | 0 | 0 | 0 | 111.2 | E2358 E2359 K2360 | T2356-E2358 VanDerWaalsContact C-N 3.32Å; T2356-E2359 PolarHBondContact O-N 2.99Å; T2356-E2359 WeakPolarHBondContact OG1-CB 3.48Å; T2356-E2359 PolarHBondContact OG1-N 3.18Å; T2356-K2360 PolarHBondContact O-N 3.15Å; T2356-K2360 VanDerWaalsContact O-N 3.09Å |
| 2357 | L | 81.5 | Confident | 85.3 | Confident | 100 Ų | 100 | 50.4 Ų | 50.4 | 52% | 0.524 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -67.2 | -35.9 | 174.3 | -173.6 | 62.6 | 0 | 0 | 0 | 111.4 | L2335 E2359 K2360 E2361 | L2335-L2357 HydrophobicContact CD2-CB 4.28Å; L2357-E2359 PolarHBondContact O-N 2.94Å; L2357-K2360 HydrophobicContact CD1-CD 4.18Å; L2357-K2360 WeakPolarHBondContact O-CB 3.43Å; L2357-K2360 PolarHBondContact O-N 2.99Å; L2357-E2361 PolarHBondContact O-N 3.45Å |
| 2358 | E | 81.1 | Confident | 86.5 | Confident | 147 Ų | 147 | 47.4 Ų | 47.4 | 69% | 0.687 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -63 | -39.4 | 174.6 | -66.3 | 164.7 | -160.8 | 0 | 0 | 112.3 | T2356 E2361 Q2362 | T2356-E2358 VanDerWaalsContact C-N 3.32Å; E2358-E2361 PolarHBondContact O-N 3.47Å; E2358-Q2362 WeakPolarHBondContact O-CG 3.36Å; E2358-Q2362 PolarHBondContact O-N 3.02Å |
| 2359 | E | 87 | Confident | 87.3 | Confident | 40 Ų | 40 | 51.8 Ų | 51.8 | 19% | 0.187 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 173.1 | -179.5 | 176.5 | -137.9 | 0 | 0 | 111 | L2271 A2354 S2355 T2356 L2357 Q2362 W2363 | L2271-E2359 HydrophobicContact CD2-CG 4.3Å; A2354-E2359 HydrophobicContact CB-CB 4.19Å; A2354-E2359 HydrophobicContact CB-CG 4.08Å; S2355-E2359 VanDerWaalsContact CB-OE2 3.3Å; S2355-E2359 WeakPolarHBondContact CB-OE2 3.29Å; S2355-E2359 PolarHBondContact N-OE2 3.27Å; S2355-E2359 PolarHBondContact OG-OE2 3.19Å; T2356-E2359 PolarHBondContact O-N 2.99Å; T2356-E2359 WeakPolarHBondContact OG1-CB 3.48Å; T2356-E2359 PolarHBondContact OG1-N 3.18Å; L2357-E2359 PolarHBondContact O-N 2.94Å; E2359-Q2362 PolarHBondContact O-N 3.04Å; E2359-W2363 VanDerWaalsContact O-CD1 3.31Å; E2359-W2363 PolarHBondContact O-N 2.97Å |
| 2360 | K | 89.3 | Confident | 87.7 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.9 | -51.7 | 172.5 | -174.3 | -169.2 | 178.4 | -171.8 | 0 | 110.6 | V2328 D2329 P2334 R2336 F2337 A2354 T2356 L2357 Q2362 W2363 I2364 | V2328-K2360 WeakPolarHBondContact O-CE 3.46Å; V2328-K2360 PolarHBondContact O-NZ 3.09Å; D2329-K2360 IonicContact OD1-NZ 3.22Å; P2334-K2360 VanDerWaalsContact O-CD 3.25Å; P2334-K2360 WeakPolarHBondContact O-CD 3.35Å; P2334-K2360 WeakPolarHBondContact O-CE 3.32Å; P2334-K2360 PolarHBondContact O-NZ 3.06Å; R2336-K2360 VanDerWaalsContact O-CE 3.3Å; R2336-K2360 WeakPolarHBondContact O-CE 3.12Å; R2336-K2360 PolarHBondContact O-NZ 2.77Å; F2337-K2360 HydrophobicContact CD1-CG 4.04Å; F2337-K2360 HydrophobicContact CE1-CG 4.48Å; A2354-K2360 HydrophobicContact CB-CB 3.99Å; T2356-K2360 PolarHBondContact O-N 3.15Å; T2356-K2360 VanDerWaalsContact O-N 3.09Å; L2357-K2360 HydrophobicContact CD1-CD 4.18Å; L2357-K2360 WeakPolarHBondContact O-CB 3.43Å; L2357-K2360 PolarHBondContact O-N 2.99Å; K2360-Q2362 PolarHBondContact O-N 3.01Å; K2360-W2363 PolarHBondContact O-N 3.29Å; K2360-I2364 HydrophobicContact CD-CD1 4.15Å; K2360-I2364 VanDerWaalsContact CE-CD1 3.44Å; K2360-I2364 HydrophobicContact CG-CD1 3.69Å; K2360-I2364 HydrophobicContact CG-CG1 4.33Å; K2360-I2364 VanDerWaalsContact O-CB 3.31Å; K2360-I2364 WeakPolarHBondContact O-CB 3.42Å; K2360-I2364 WeakPolarHBondContact O-CG1 3.23Å; K2360-I2364 PolarHBondContact O-N 2.77Å |
| 2361 | E | 87.8 | Confident | 87.9 | Confident | 94 Ų | 94 | 50.2 Ų | 50.2 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -66.3 | -33.4 | -178.7 | -68.7 | -50.2 | 129.6 | 0 | 0 | 112.9 | L2357 E2358 G2365 | L2357-E2361 PolarHBondContact O-N 3.45Å; E2358-E2361 PolarHBondContact O-N 3.47Å; E2361-G2365 WeakPolarHBondContact O-CA 3.29Å; E2361-G2365 PolarHBondContact O-N 3.5Å |
| 2362 | Q | 86.2 | Confident | 87.8 | Confident | 106 Ų | 106 | 53.2 Ų | 53.2 | 50% | 0.495 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -49.4 | 171.7 | -75.9 | -175.8 | 38.2 | 0 | 0 | 111.9 | E2358 E2359 K2360 I2364 G2365 F2366 | E2358-Q2362 WeakPolarHBondContact O-CG 3.36Å; E2358-Q2362 PolarHBondContact O-N 3.02Å; E2359-Q2362 PolarHBondContact O-N 3.04Å; K2360-Q2362 PolarHBondContact O-N 3.01Å; Q2362-I2364 PolarHBondContact O-N 2.88Å; Q2362-G2365 PolarHBondContact O-N 3.35Å; Q2362-F2366 WeakPolarHBondContact O-CD2 3.45Å; Q2362-F2366 PolarHBondContact O-N 3.32Å |
| 2363 | W | 93.8 | Very high | 87.4 | Confident | 1 Ų | 1 | 56.7 Ų | 56.7 | 0% | 0.004 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 177.9 | -86.1 | 97.8 | 0 | 0 | 0 | 112.3 | H2267 L2271 V2289 L2291 F2337 E2359 K2360 I2367 | H2267-W2363 AromaticContact CD2-CD2 3.88Å; H2267-W2363 AromaticContact CD2-CE2 3.48Å; H2267-W2363 VanDerWaalsContact CD2-CE2 3.48Å; H2267-W2363 AromaticContact CD2-CH2 3.99Å; H2267-W2363 AromaticContact CD2-CZ2 3.57Å; H2267-W2363 AromaticContact CD2-NE1 3.84Å; H2267-W2363 AromaticContact NE2-CE2 3.91Å; H2267-W2363 AromaticContact NE2-NE1 3.77Å; L2271-W2363 HydrophobicContact CD1-CD2 3.92Å; L2271-W2363 HydrophobicContact CD1-CE3 4.48Å; L2271-W2363 HydrophobicContact CD1-CG 4.22Å; L2271-W2363 HydrophobicContact CD1-CZ2 4Å; L2271-W2363 HydrophobicContact CG-CZ2 4.46Å; V2289-W2363 HydrophobicContact CB-CH2 3.65Å; V2289-W2363 HydrophobicContact CB-CZ2 4.2Å; V2289-W2363 HydrophobicContact CB-CZ3 4.28Å; V2289-W2363 HydrophobicContact CG1-CH2 3.61Å; V2289-W2363 HydrophobicContact CG1-CZ3 3.76Å; L2291-W2363 HydrophobicContact CB-CZ3 3.99Å; L2291-W2363 HydrophobicContact CD2-CZ3 4.46Å; F2337-W2363 HydrophobicContact CZ-CB 4.01Å; E2359-W2363 VanDerWaalsContact O-CD1 3.31Å; E2359-W2363 PolarHBondContact O-N 2.97Å; K2360-W2363 PolarHBondContact O-N 3.29Å; W2363-I2367 HydrophobicContact CE3-CD1 4.13Å; W2363-I2367 WeakPolarHBondContact O-CB 3.48Å; W2363-I2367 WeakPolarHBondContact O-CG1 3.46Å; W2363-I2367 PolarHBondContact O-N 2.76Å |
| 2364 | I | 90.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.3 | -36.3 | 176.4 | -71.1 | -175.9 | 0 | 0 | 0 | 110.9 | L2326 V2328 F2337 K2360 Q2362 K2368 | L2326-I2364 HydrophobicContact CD2-CG1 4.42Å; L2326-I2364 HydrophobicContact CD2-CG2 4.22Å; V2328-I2364 HydrophobicContact CB-CD1 4.34Å; V2328-I2364 HydrophobicContact CG1-CD1 3.93Å; V2328-I2364 HydrophobicContact CG2-CD1 4.33Å; V2328-I2364 HydrophobicContact CG2-CG2 4.12Å; F2337-I2364 HydrophobicContact CB-CD1 3.99Å; F2337-I2364 HydrophobicContact CD1-CD1 4.43Å; F2337-I2364 HydrophobicContact CD2-CG1 4.49Å; F2337-I2364 HydrophobicContact CG-CD1 4.19Å; F2337-I2364 HydrophobicContact CG-CG1 4.34Å; K2360-I2364 HydrophobicContact CD-CD1 4.15Å; K2360-I2364 VanDerWaalsContact CE-CD1 3.44Å; K2360-I2364 HydrophobicContact CG-CD1 3.69Å; K2360-I2364 HydrophobicContact CG-CG1 4.33Å; K2360-I2364 VanDerWaalsContact O-CB 3.31Å; K2360-I2364 WeakPolarHBondContact O-CB 3.42Å; K2360-I2364 WeakPolarHBondContact O-CG1 3.23Å; K2360-I2364 PolarHBondContact O-N 2.77Å; Q2362-I2364 PolarHBondContact O-N 2.88Å; I2364-K2368 HydrophobicContact CG2-CD 3.74Å; I2364-K2368 VanDerWaalsContact CG2-CE 3.44Å; I2364-K2368 HydrophobicContact CG2-CG 4.13Å; I2364-K2368 WeakPolarHBondContact O-CA 3.45Å; I2364-K2368 WeakPolarHBondContact O-CB 3.18Å; I2364-K2368 WeakPolarHBondContact O-CG 3.33Å; I2364-K2368 PolarHBondContact O-N 3.22Å |
| 2365 | G | 88.4 | Confident | 86.3 | Confident | 36 Ų | 36 | 60.6 Ų | 60.6 | 37% | 0.371 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.3 | -50.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.5 | E2361 Q2362 Q2369 | E2361-G2365 WeakPolarHBondContact O-CA 3.29Å; E2361-G2365 PolarHBondContact O-N 3.5Å; Q2362-G2365 PolarHBondContact O-N 3.35Å; G2365-Q2369 VanDerWaalsContact O-CB 3.27Å; G2365-Q2369 WeakPolarHBondContact O-CB 3.31Å; G2365-Q2369 PolarHBondContact O-N 3.16Å |
| 2366 | F | 89 | Confident | 85.7 | Confident | 58 Ų | 58 | 58.1 Ų | 58.1 | 25% | 0.254 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -67.9 | -38.7 | 177.2 | -72.4 | -65.4 | 0 | 0 | 0 | 113 | H2267 L2291 Q2362 L2370 | H2267-F2366 HydrophobicContact CB-CB 4.45Å; H2267-F2366 HydrophobicContact CB-CD2 3.87Å; H2267-F2366 HydrophobicContact CB-CE2 4.35Å; H2267-F2366 HydrophobicContact CB-CG 4.11Å; H2267-F2366 AromaticContact CE1-CE2 3.7Å; H2267-F2366 AromaticContact CG-CD2 3.62Å; H2267-F2366 AromaticContact CG-CE2 3.87Å; H2267-F2366 AromaticContact ND1-CD2 3.37Å; H2267-F2366 WeakPolarHBondContact ND1-CD2 3.35Å; H2267-F2366 AromaticContact ND1-CE2 3.12Å; H2267-F2366 WeakPolarHBondContact ND1-CE2 3.37Å; H2267-F2366 AromaticContact ND1-CZ 3.92Å; L2291-F2366 HydrophobicContact CD2-CB 3.65Å; Q2362-F2366 WeakPolarHBondContact O-CD2 3.45Å; Q2362-F2366 PolarHBondContact O-N 3.32Å; F2366-L2370 VanDerWaalsContact O-CB 3.23Å; F2366-L2370 WeakPolarHBondContact O-CB 3.16Å; F2366-L2370 PolarHBondContact O-N 3.06Å |
| 2367 | I | 92.7 | Very high | 85 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -71.7 | -38.5 | 177.4 | -65.3 | 168.1 | 0 | 0 | 0 | 110.9 | L2291 L2324 L2326 F2337 I2339 W2363 L2370 L2371 | L2291-I2367 HydrophobicContact CD1-CG1 4.33Å; L2291-I2367 HydrophobicContact CD2-CG1 3.96Å; L2324-I2367 HydrophobicContact CD2-CG2 4.09Å; L2326-I2367 HydrophobicContact CB-CG2 4.19Å; L2326-I2367 HydrophobicContact CD1-CG2 4.38Å; L2326-I2367 HydrophobicContact CD2-CB 4.3Å; L2326-I2367 HydrophobicContact CD2-CG2 3.91Å; L2326-I2367 HydrophobicContact CG-CG2 4.39Å; F2337-I2367 HydrophobicContact CE2-CD1 4.23Å; I2339-I2367 HydrophobicContact CD1-CD1 4.16Å; W2363-I2367 HydrophobicContact CE3-CD1 4.13Å; W2363-I2367 WeakPolarHBondContact O-CB 3.48Å; W2363-I2367 WeakPolarHBondContact O-CG1 3.46Å; W2363-I2367 PolarHBondContact O-N 2.76Å; I2367-L2370 PolarHBondContact O-N 2.65Å; I2367-L2371 HydrophobicContact CG2-CD1 3.86Å; I2367-L2371 HydrophobicContact CG2-CG 4.23Å; I2367-L2371 VanDerWaalsContact O-CB 3.26Å; I2367-L2371 WeakPolarHBondContact O-CB 3.37Å; I2367-L2371 VanDerWaalsContact O-CG 3.26Å; I2367-L2371 WeakPolarHBondContact O-CG 3.3Å; I2367-L2371 PolarHBondContact O-N 2.78Å |
| 2368 | K | 89.2 | Confident | 84.6 | Confident | 89 Ų | 89 | 58.9 Ų | 58.9 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -58.7 | 169.6 | -79 | 174.4 | 178.8 | 169.6 | 0 | 109.6 | L2326 I2364 L2370 L2371 D2372 | L2326-K2368 HydrophobicContact CD2-CG 4.2Å; I2364-K2368 HydrophobicContact CG2-CD 3.74Å; I2364-K2368 VanDerWaalsContact CG2-CE 3.44Å; I2364-K2368 HydrophobicContact CG2-CG 4.13Å; I2364-K2368 WeakPolarHBondContact O-CA 3.45Å; I2364-K2368 WeakPolarHBondContact O-CB 3.18Å; I2364-K2368 WeakPolarHBondContact O-CG 3.33Å; I2364-K2368 PolarHBondContact O-N 3.22Å; K2368-L2370 PolarHBondContact O-N 2.75Å; K2368-L2371 CarbonylContact O-C 3.57Å; K2368-L2371 WeakPolarHBondContact O-CA 3.45Å; K2368-L2371 PolarHBondContact O-N 3.43Å; K2368-D2372 VanDerWaalsContact C-OD2 3.23Å; K2368-D2372 VanDerWaalsContact O-CB 3.27Å; K2368-D2372 WeakPolarHBondContact O-CB 3.38Å; K2368-D2372 PolarHBondContact O-N 2.66Å |
| 2369 | Q | 86.6 | Confident | 84 | Confident | 124 Ų | 124 | 56.5 Ų | 56.5 | 58% | 0.579 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -53.2 | -35.1 | 179.3 | -170.8 | -178.2 | 31.6 | 0 | 0 | 113.3 | G2365 T2373 | G2365-Q2369 VanDerWaalsContact O-CB 3.27Å; G2365-Q2369 WeakPolarHBondContact O-CB 3.31Å; G2365-Q2369 PolarHBondContact O-N 3.16Å; Q2369-T2373 WeakPolarHBondContact O-CB 3.38Å; Q2369-T2373 PolarHBondContact O-N 3Å; Q2369-T2373 PolarHBondContact O-OG1 3.44Å |
| 2370 | L | 87.9 | Confident | 82.9 | Confident | 8 Ų | 8 | 55.7 Ų | 55.7 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -76.8 | -39.5 | 175.8 | -174.8 | 60.7 | 0 | 0 | 0 | 113.3 | L2266 L2291 F2292 V2321 F2366 I2367 K2368 D2372 T2373 Q2374 | L2266-L2370 HydrophobicContact CD1-CB 4.5Å; L2266-L2370 HydrophobicContact CD1-CD1 3.88Å; L2266-L2370 HydrophobicContact CD1-CD2 4.07Å; L2266-L2370 HydrophobicContact CD1-CG 4.36Å; L2291-L2370 HydrophobicContact CD1-CD2 3.57Å; L2291-L2370 HydrophobicContact CG-CD2 4.18Å; F2292-L2370 WeakPolarHBondContact O-CD2 3.28Å; V2321-L2370 HydrophobicContact CB-CD2 4.47Å; V2321-L2370 HydrophobicContact CG1-CD1 4.44Å; V2321-L2370 HydrophobicContact CG1-CD2 3.87Å; V2321-L2370 HydrophobicContact CG1-CG 3.77Å; V2321-L2370 HydrophobicContact CG2-CD2 3.68Å; V2321-L2370 HydrophobicContact CG2-CG 4.42Å; F2366-L2370 VanDerWaalsContact O-CB 3.23Å; F2366-L2370 WeakPolarHBondContact O-CB 3.16Å; F2366-L2370 PolarHBondContact O-N 3.06Å; I2367-L2370 PolarHBondContact O-N 2.65Å; K2368-L2370 PolarHBondContact O-N 2.75Å; L2370-D2372 VanDerWaalsContact C-N 3.3Å; L2370-T2373 WeakPolarHBondContact CA-OG1 3.22Å; L2370-T2373 PolarHBondContact O-OG1 2.64Å; L2370-Q2374 WeakPolarHBondContact O-CB 3.31Å; L2370-Q2374 VanDerWaalsContact O-CG 3.29Å; L2370-Q2374 WeakPolarHBondContact O-CG 3.24Å; L2370-Q2374 PolarHBondContact O-N 2.67Å |
| 2371 | L | 88.4 | Confident | 81.5 | Confident | 26 Ų | 26 | 59.3 Ų | 59.3 | 14% | 0.136 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.9 | -32.2 | 171.4 | -75.5 | 175 | 0 | 0 | 0 | 111.7 | L2324 L2326 I2367 K2368 Q2374 M2375 | L2324-L2371 HydrophobicContact CB-CD2 4.06Å; L2324-L2371 HydrophobicContact CD2-CD2 4.19Å; L2324-L2371 HydrophobicContact CD2-CG 4.4Å; L2324-L2371 HydrophobicContact CG-CD2 4.34Å; L2326-L2371 HydrophobicContact CB-CD1 3.79Å; I2367-L2371 HydrophobicContact CG2-CD1 3.86Å; I2367-L2371 HydrophobicContact CG2-CG 4.23Å; I2367-L2371 VanDerWaalsContact O-CB 3.26Å; I2367-L2371 WeakPolarHBondContact O-CB 3.37Å; I2367-L2371 VanDerWaalsContact O-CG 3.26Å; I2367-L2371 WeakPolarHBondContact O-CG 3.3Å; I2367-L2371 PolarHBondContact O-N 2.78Å; K2368-L2371 CarbonylContact O-C 3.57Å; K2368-L2371 WeakPolarHBondContact O-CA 3.45Å; K2368-L2371 PolarHBondContact O-N 3.43Å; L2371-Q2374 CarbonylContact O-C 3.58Å; L2371-Q2374 PolarHBondContact O-N 2.82Å; L2371-M2375 WeakPolarHBondContact O-CB 3.27Å; L2371-M2375 VanDerWaalsContact O-CG 3.23Å; L2371-M2375 WeakPolarHBondContact O-CG 3.42Å; L2371-M2375 PolarHBondContact O-N 3.4Å |
| 2372 | D | 84.6 | Confident | 80.3 | Confident | 81 Ų | 81 | 59.9 Ų | 59.9 | 43% | 0.433 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -75.9 | -42.8 | 177.9 | -68.4 | -38.5 | 0 | 0 | 0 | 109.9 | K2368 L2370 Q2374 M2375 D2376 | K2368-D2372 VanDerWaalsContact C-OD2 3.23Å; K2368-D2372 VanDerWaalsContact O-CB 3.27Å; K2368-D2372 WeakPolarHBondContact O-CB 3.38Å; K2368-D2372 PolarHBondContact O-N 2.66Å; L2370-D2372 VanDerWaalsContact C-N 3.3Å; D2372-Q2374 PolarHBondContact O-N 3.36Å; D2372-M2375 CarbonylContact O-C 3.34Å; D2372-M2375 PolarHBondContact O-N 2.9Å; D2372-M2375 VanDerWaalsContact O-N 3.16Å; D2372-D2376 WeakPolarHBondContact O-CA 3.42Å; D2372-D2376 WeakPolarHBondContact O-CB 3.44Å; D2372-D2376 VanDerWaalsContact O-CG 3.25Å; D2372-D2376 PolarHBondContact O-N 3.19Å |
| 2373 | T | 81.5 | Confident | 78.8 | Confident | 73 Ų | 73 | 58.4 Ų | 58.4 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.2 | -25.3 | 167.9 | 44.5 | 0 | 0 | 0 | 0 | 112.8 | Q2369 L2370 F2377 | Q2369-T2373 WeakPolarHBondContact O-CB 3.38Å; Q2369-T2373 PolarHBondContact O-N 3Å; Q2369-T2373 PolarHBondContact O-OG1 3.44Å; L2370-T2373 WeakPolarHBondContact CA-OG1 3.22Å; L2370-T2373 PolarHBondContact O-OG1 2.64Å; T2373-F2377 WeakPolarHBondContact O-CB 3.44Å; T2373-F2377 PolarHBondContact O-N 3Å |
| 2374 | Q | 77.6 | Confident | 76.7 | Confident | 43 Ų | 43 | 59.5 Ų | 59.5 | 20% | 0.201 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -80.3 | -30 | 168.8 | -76.3 | -73.5 | -30.4 | 0 | 0 | 113.6 | V2321 L2370 L2371 D2372 L2378 | V2321-Q2374 HydrophobicContact CG1-CG 3.72Å; L2370-Q2374 WeakPolarHBondContact O-CB 3.31Å; L2370-Q2374 VanDerWaalsContact O-CG 3.29Å; L2370-Q2374 WeakPolarHBondContact O-CG 3.24Å; L2370-Q2374 PolarHBondContact O-N 2.67Å; L2371-Q2374 CarbonylContact O-C 3.58Å; L2371-Q2374 PolarHBondContact O-N 2.82Å; D2372-Q2374 PolarHBondContact O-N 3.36Å; Q2374-L2378 VanDerWaalsContact O-CB 3.24Å; Q2374-L2378 WeakPolarHBondContact O-CB 3.47Å; Q2374-L2378 PolarHBondContact O-N 3.41Å |
| 2375 | M | 77.8 | Confident | 74.8 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 42% | 0.424 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -75 | -27.6 | 170.1 | -76.4 | -59.7 | 99.3 | 0 | 0 | 111.1 | L2371 D2372 L2378 K2379 | L2371-M2375 WeakPolarHBondContact O-CB 3.27Å; L2371-M2375 VanDerWaalsContact O-CG 3.23Å; L2371-M2375 WeakPolarHBondContact O-CG 3.42Å; L2371-M2375 PolarHBondContact O-N 3.4Å; D2372-M2375 CarbonylContact O-C 3.34Å; D2372-M2375 PolarHBondContact O-N 2.9Å; D2372-M2375 VanDerWaalsContact O-N 3.16Å; M2375-L2378 HydrophobicContact CE-CB 4.46Å; M2375-L2378 HydrophobicContact CE-CD1 3.53Å; M2375-L2378 CarbonylContact O-C 3.5Å; M2375-K2379 WeakPolarHBondContact O-CB 3.45Å; M2375-K2379 WeakPolarHBondContact O-CG 3.42Å; M2375-K2379 PolarHBondContact O-N 2.59Å |
| 2376 | D | 72.8 | Confident | 73.4 | Confident | 37 Ų | 37 | 61.8 Ų | 61.8 | 20% | 0.198 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -82 | -35.4 | 173.7 | -78.2 | -4.9 | 0 | 0 | 0 | 110.7 | D2372 L2378 K2379 A2380 Y2387 | D2372-D2376 WeakPolarHBondContact O-CA 3.42Å; D2372-D2376 WeakPolarHBondContact O-CB 3.44Å; D2372-D2376 VanDerWaalsContact O-CG 3.25Å; D2372-D2376 PolarHBondContact O-N 3.19Å; D2376-L2378 VanDerWaalsContact C-N 3.33Å; D2376-K2379 CarbonylContact O-C 3.57Å; D2376-K2379 PolarHBondContact O-N 3.18Å; D2376-K2379 WeakPolarHBondContact OD1-CD 3.36Å; D2376-K2379 WeakPolarHBondContact OD1-CE 3.33Å; D2376-K2379 IonicContact OD1-NZ 3.92Å; D2376-K2379 PolarHBondContact OD1-NZ 3.35Å; D2376-A2380 WeakPolarHBondContact O-CA 3.45Å; D2376-A2380 WeakPolarHBondContact O-CB 3.47Å; D2376-A2380 PolarHBondContact O-N 3.1Å; D2376-Y2387 HydrophobicContact CB-CD2 4.34Å; D2376-Y2387 HydrophobicContact CB-CE2 3.56Å |
| 2377 | F | 71.5 | Confident | 71.8 | Confident | 116 Ų | 116 | 62.6 Ų | 62.6 | 51% | 0.509 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65 | -37.5 | 164.6 | -172.2 | -118.7 | 0 | 0 | 0 | 111.1 | T2373 A2380 L2381 | T2373-F2377 WeakPolarHBondContact O-CB 3.44Å; T2373-F2377 PolarHBondContact O-N 3Å; F2377-A2380 CarbonylContact O-C 3.53Å; F2377-A2380 VanDerWaalsContact O-C 3.24Å; F2377-A2380 WeakPolarHBondContact O-CA 3.17Å; F2377-A2380 PolarHBondContact O-N 3.09Å; F2377-L2381 HydrophobicContact CD1-CD1 3.8Å; F2377-L2381 HydrophobicContact CE1-CD1 3.56Å; F2377-L2381 HydrophobicContact CE1-CG 4.47Å; F2377-L2381 HydrophobicContact CE2-CD1 4.47Å; F2377-L2381 HydrophobicContact CG-CD1 4.36Å; F2377-L2381 HydrophobicContact CZ-CD1 3.92Å; F2377-L2381 HydrophobicContact CZ-CG 4.44Å; F2377-L2381 WeakPolarHBondContact O-CB 3.18Å; F2377-L2381 VanDerWaalsContact O-CG 3.25Å; F2377-L2381 WeakPolarHBondContact O-CG 3.22Å; F2377-L2381 PolarHBondContact O-N 3.02Å |
| 2378 | L | 73.1 | Confident | 69.9 | Low | 65 Ų | 65 | 68.2 Ų | 68.2 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -72 | -37.7 | 172.4 | -95.8 | 158.8 | 0 | 0 | 0 | 113 | Q2374 M2375 D2376 A2380 L2381 Q2382 | Q2374-L2378 VanDerWaalsContact O-CB 3.24Å; Q2374-L2378 WeakPolarHBondContact O-CB 3.47Å; Q2374-L2378 PolarHBondContact O-N 3.41Å; M2375-L2378 HydrophobicContact CE-CB 4.46Å; M2375-L2378 HydrophobicContact CE-CD1 3.53Å; M2375-L2378 CarbonylContact O-C 3.5Å; D2376-L2378 VanDerWaalsContact C-N 3.33Å; L2378-A2380 PolarHBondContact O-N 2.92Å; L2378-L2381 CarbonylContact O-C 3.58Å; L2378-L2381 PolarHBondContact O-N 3.43Å; L2378-L2381 VanDerWaalsContact O-N 3.14Å; L2378-Q2382 VanDerWaalsContact O-CB 3.25Å; L2378-Q2382 WeakPolarHBondContact O-CB 3.31Å; L2378-Q2382 WeakPolarHBondContact O-CG 3.31Å; L2378-Q2382 PolarHBondContact O-N 3.37Å |
| 2379 | K | 67.4 | Low | 68.3 | Low | 98 Ų | 98 | 69.3 Ų | 69.3 | 43% | 0.426 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -63.1 | -30.9 | 166.3 | -72.1 | 163.3 | -144.7 | 165 | 0 | 110 | M2375 D2376 L2381 H2383 | M2375-K2379 WeakPolarHBondContact O-CB 3.45Å; M2375-K2379 WeakPolarHBondContact O-CG 3.42Å; M2375-K2379 PolarHBondContact O-N 2.59Å; D2376-K2379 CarbonylContact O-C 3.57Å; D2376-K2379 PolarHBondContact O-N 3.18Å; D2376-K2379 WeakPolarHBondContact OD1-CD 3.36Å; D2376-K2379 WeakPolarHBondContact OD1-CE 3.33Å; D2376-K2379 IonicContact OD1-NZ 3.92Å; D2376-K2379 PolarHBondContact OD1-NZ 3.35Å; K2379-L2381 VanDerWaalsContact C-N 3.33Å; K2379-H2383 CarbonylContact O-C 3.58Å; K2379-H2383 WeakPolarHBondContact O-CA 3.37Å; K2379-H2383 WeakPolarHBondContact O-CB 3.29Å; K2379-H2383 PolarHBondContact O-N 2.93Å |
| 2380 | A | 65.5 | Low | 66.8 | Low | 22 Ų | 22 | 64.6 Ų | 64.6 | 18% | 0.182 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -84.3 | -0.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D2376 F2377 L2378 P2384 Y2387 | D2376-A2380 WeakPolarHBondContact O-CA 3.45Å; D2376-A2380 WeakPolarHBondContact O-CB 3.47Å; D2376-A2380 PolarHBondContact O-N 3.1Å; F2377-A2380 CarbonylContact O-C 3.53Å; F2377-A2380 VanDerWaalsContact O-C 3.24Å; F2377-A2380 WeakPolarHBondContact O-CA 3.17Å; F2377-A2380 PolarHBondContact O-N 3.09Å; L2378-A2380 PolarHBondContact O-N 2.92Å; A2380-P2384 WeakPolarHBondContact O-CB 3.46Å; A2380-P2384 WeakPolarHBondContact O-CD 3.21Å; A2380-P2384 WeakPolarHBondContact O-CG 3.32Å; A2380-Y2387 HydrophobicContact CB-CD1 3.63Å; A2380-Y2387 HydrophobicContact CB-CE1 4.26Å; A2380-Y2387 HydrophobicContact CB-CG 4.02Å |
| 2381 | L | 59.1 | Low | 64.9 | Low | 81 Ų | 81 | 67.3 Ų | 67.3 | 42% | 0.424 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -114.3 | -25.3 | 170.3 | -73.2 | 169.1 | 0 | 0 | 0 | 112.1 | F2377 L2378 K2379 | F2377-L2381 HydrophobicContact CD1-CD1 3.8Å; F2377-L2381 HydrophobicContact CE1-CD1 3.56Å; F2377-L2381 HydrophobicContact CE1-CG 4.47Å; F2377-L2381 HydrophobicContact CE2-CD1 4.47Å; F2377-L2381 HydrophobicContact CG-CD1 4.36Å; F2377-L2381 HydrophobicContact CZ-CD1 3.92Å; F2377-L2381 HydrophobicContact CZ-CG 4.44Å; F2377-L2381 WeakPolarHBondContact O-CB 3.18Å; F2377-L2381 VanDerWaalsContact O-CG 3.25Å; F2377-L2381 WeakPolarHBondContact O-CG 3.22Å; F2377-L2381 PolarHBondContact O-N 3.02Å; L2378-L2381 CarbonylContact O-C 3.58Å; L2378-L2381 PolarHBondContact O-N 3.43Å; L2378-L2381 VanDerWaalsContact O-N 3.14Å; K2379-L2381 VanDerWaalsContact C-N 3.33Å |
| 2382 | Q | 62.8 | Low | 62.8 | Low | 106 Ų | 106 | 70.6 Ų | 70.6 | 50% | 0.495 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -85.1 | -42.7 | 171.4 | -68.2 | 171.7 | 3.7 | 0 | 0 | 110.4 | L2378 | L2378-Q2382 VanDerWaalsContact O-CB 3.25Å; L2378-Q2382 WeakPolarHBondContact O-CB 3.31Å; L2378-Q2382 WeakPolarHBondContact O-CG 3.31Å; L2378-Q2382 PolarHBondContact O-N 3.37Å |
| 2383 | H | 55 | Low | 60.6 | Low | 75 Ų | 75 | 74.4 Ų | 74.4 | 35% | 0.347 | 38% | 0.384 | S | S | . | . | trans | -141.9 | 49.3 | -172.1 | -51.2 | -35.8 | 0 | 0 | 0 | 113.1 | K2379 I2385 A2386 Y2387 | K2379-H2383 CarbonylContact O-C 3.58Å; K2379-H2383 WeakPolarHBondContact O-CA 3.37Å; K2379-H2383 WeakPolarHBondContact O-CB 3.29Å; K2379-H2383 PolarHBondContact O-N 2.93Å; H2383-I2385 PolarHBondContact O-N 3.4Å; H2383-A2386 HydrophobicContact CB-CB 3.8Å; H2383-A2386 WeakPolarHBondContact O-CA 3.29Å; H2383-A2386 WeakPolarHBondContact O-CB 3.44Å; H2383-A2386 PolarHBondContact O-N 3.16Å; H2383-Y2387 PolarHBondContact O-N 3.48Å | ||
| 2384 | P | 48.1 | Very low | 58.3 | Low | 24 Ų | 24 | 77.4 Ų | 77.4 | 16% | 0.156 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -48.4 | -39.5 | -178.7 | 3.5 | -15.4 | 0 | 0 | 0 | 114.8 | E138 A2380 A2386 Y2387 Q2388 | E138-P2384 HydrophobicContact CG-CG 4.36Å; E138-P2384 WeakPolarHBondContact OE2-CG 3.46Å; A2380-P2384 WeakPolarHBondContact O-CB 3.46Å; A2380-P2384 WeakPolarHBondContact O-CD 3.21Å; A2380-P2384 WeakPolarHBondContact O-CG 3.32Å; P2384-A2386 VanDerWaalsContact C-N 3.32Å; P2384-A2386 PolarHBondContact O-N 3.22Å; P2384-Y2387 PolarHBondContact O-N 3.24Å; P2384-Q2388 WeakPolarHBondContact O-CB 3.21Å; P2384-Q2388 PolarHBondContact O-N 2.77Å |
| 2385 | I | 50.7 | Low | 56 | Low | 22 Ų | 22 | 83.5 Ų | 83.5 | 11% | 0.113 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 176.5 | -63.3 | -179.1 | 0 | 0 | 0 | 111.8 | Y115 H140 Y150 H2383 K2389 | Y115-I2385 HydrophobicContact CE1-CD1 4.22Å; H140-I2385 HydrophobicContact CB-CD1 3.5Å; H140-I2385 WeakPolarHBondContact ND1-CD1 3.41Å; Y150-I2385 HydrophobicContact CE1-CD1 3.76Å; Y150-I2385 HydrophobicContact CE1-CG1 3.76Å; Y150-I2385 HydrophobicContact CE2-CD1 4.17Å; Y150-I2385 WeakPolarHBondContact OH-CD1 3.28Å; Y150-I2385 WeakPolarHBondContact OH-CG2 3.2Å; H2383-I2385 PolarHBondContact O-N 3.4Å; I2385-K2389 HydrophobicContact CG2-CD 3.89Å; I2385-K2389 HydrophobicContact CG2-CG 4.35Å; I2385-K2389 WeakPolarHBondContact O-CB 3.29Å; I2385-K2389 WeakPolarHBondContact O-CG 3.3Å; I2385-K2389 PolarHBondContact O-N 3.01Å |
| 2386 | A | 59.1 | Low | 53.4 | Low | 62 Ų | 62 | 80.8 Ų | 80.8 | 51% | 0.512 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -71.5 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | H2383 P2384 G2390 | H2383-A2386 HydrophobicContact CB-CB 3.8Å; H2383-A2386 WeakPolarHBondContact O-CA 3.29Å; H2383-A2386 WeakPolarHBondContact O-CB 3.44Å; H2383-A2386 PolarHBondContact O-N 3.16Å; P2384-A2386 VanDerWaalsContact C-N 3.32Å; P2384-A2386 PolarHBondContact O-N 3.22Å; A2386-G2390 PolarHBondContact O-N 3.03Å |
| 2387 | Y | 56.2 | Low | 51.3 | Low | 76 Ų | 76 | 89.5 Ų | 89.5 | 30% | 0.298 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.9 | -47.1 | 174.9 | -175.2 | -110.4 | 0 | 0 | 0 | 111.9 | D2376 A2380 H2383 P2384 K2389 G2390 L2391 | D2376-Y2387 HydrophobicContact CB-CD2 4.34Å; D2376-Y2387 HydrophobicContact CB-CE2 3.56Å; A2380-Y2387 HydrophobicContact CB-CD1 3.63Å; A2380-Y2387 HydrophobicContact CB-CE1 4.26Å; A2380-Y2387 HydrophobicContact CB-CG 4.02Å; H2383-Y2387 PolarHBondContact O-N 3.48Å; P2384-Y2387 PolarHBondContact O-N 3.24Å; Y2387-K2389 PolarHBondContact O-N 3.4Å; Y2387-G2390 WeakPolarHBondContact O-CA 3.47Å; Y2387-G2390 PolarHBondContact O-N 2.87Å; Y2387-G2390 VanDerWaalsContact O-N 3.07Å; Y2387-L2391 HydrophobicContact CD1-CD1 4.01Å; Y2387-L2391 HydrophobicContact CE1-CD1 3.63Å; Y2387-L2391 HydrophobicContact CE1-CG 4.35Å; Y2387-L2391 PolarHBondContact O-N 3.44Å |
| 2388 | Q | 52.9 | Low | 49.1 | Very low | 118 Ų | 118 | 89.3 Ų | 89.3 | 55% | 0.551 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -66.9 | -35.3 | 178.1 | -165.1 | 177.3 | 17.9 | 0 | 0 | 112.3 | P2384 S2392 | P2384-Q2388 WeakPolarHBondContact O-CB 3.21Å; P2384-Q2388 PolarHBondContact O-N 2.77Å; Q2388-S2392 PolarHBondContact O-N 3.02Å; Q2388-S2392 PolarHBondContact O-OG 3.45Å |
| 2389 | K | 56.2 | Low | 46.8 | Very low | 112 Ų | 112 | 93.7 Ų | 93.7 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -72.6 | -27.6 | 169.2 | -73.9 | 177.5 | 179.1 | -177.7 | 0 | 113.1 | I2385 Y2387 S2392 K2393 | I2385-K2389 HydrophobicContact CG2-CD 3.89Å; I2385-K2389 HydrophobicContact CG2-CG 4.35Å; I2385-K2389 WeakPolarHBondContact O-CB 3.29Å; I2385-K2389 WeakPolarHBondContact O-CG 3.3Å; I2385-K2389 PolarHBondContact O-N 3.01Å; Y2387-K2389 PolarHBondContact O-N 3.4Å; K2389-S2392 CarbonylContact O-C 3.5Å; K2389-S2392 WeakPolarHBondContact O-CB 3.43Å; K2389-S2392 PolarHBondContact O-N 2.77Å; K2389-K2393 PolarHBondContact O-N 2.76Å |
| 2390 | G | 54.7 | Low | 44.6 | Very low | 25 Ų | 25 | 96.2 Ų | 96.2 | 26% | 0.258 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.3 | -50.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A2386 Y2387 S2392 K2393 E2394 | A2386-G2390 PolarHBondContact O-N 3.03Å; Y2387-G2390 WeakPolarHBondContact O-CA 3.47Å; Y2387-G2390 PolarHBondContact O-N 2.87Å; Y2387-G2390 VanDerWaalsContact O-N 3.07Å; G2390-S2392 PolarHBondContact O-N 2.82Å; G2390-K2393 CarbonylContact O-C 3.59Å; G2390-K2393 WeakPolarHBondContact O-CA 3.45Å; G2390-K2393 WeakPolarHBondContact O-CB 3.41Å; G2390-K2393 PolarHBondContact O-N 3.47Å; G2390-E2394 PolarHBondContact O-N 2.81Å |
| 2391 | L | 48.7 | Very low | 42.7 | Very low | 66 Ų | 66 | 104.5 Ų | 104.5 | 35% | 0.346 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -56.7 | -32.5 | 168.7 | -68.5 | 172 | 0 | 0 | 0 | 112.1 | Y2387 K2393 Y2395 | Y2387-L2391 HydrophobicContact CD1-CD1 4.01Å; Y2387-L2391 HydrophobicContact CE1-CD1 3.63Å; Y2387-L2391 HydrophobicContact CE1-CG 4.35Å; Y2387-L2391 PolarHBondContact O-N 3.44Å; L2391-K2393 PolarHBondContact O-N 2.69Å; L2391-Y2395 WeakPolarHBondContact O-CD2 3.4Å |
| 2392 | S | 42.7 | Very low | 40.8 | Very low | 94 Ų | 94 | 109 Ų | 109 | 66% | 0.657 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -72.3 | -7.2 | 173.1 | -52.4 | 0 | 0 | 0 | 0 | 114.4 | Q2388 K2389 G2390 | Q2388-S2392 PolarHBondContact O-N 3.02Å; Q2388-S2392 PolarHBondContact O-OG 3.45Å; K2389-S2392 CarbonylContact O-C 3.5Å; K2389-S2392 WeakPolarHBondContact O-CB 3.43Å; K2389-S2392 PolarHBondContact O-N 2.77Å; G2390-S2392 PolarHBondContact O-N 2.82Å |
| 2393 | K | 38.9 | Very low | 38.9 | Very low | 161 Ų | 161 | 108.5 Ų | 108.5 | 70% | 0.7 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -112.3 | -36.8 | 176.5 | -80.5 | -164.7 | 169.2 | -161.2 | 0 | 113.6 | K2389 G2390 L2391 Y2395 S2396 | K2389-K2393 PolarHBondContact O-N 2.76Å; G2390-K2393 CarbonylContact O-C 3.59Å; G2390-K2393 WeakPolarHBondContact O-CA 3.45Å; G2390-K2393 WeakPolarHBondContact O-CB 3.41Å; G2390-K2393 PolarHBondContact O-N 3.47Å; L2391-K2393 PolarHBondContact O-N 2.69Å; K2393-Y2395 VanDerWaalsContact C-N 3.31Å; K2393-Y2395 PolarHBondContact O-N 2.9Å; K2393-S2396 WeakPolarHBondContact O-CB 3.21Å; K2393-S2396 PolarHBondContact O-N 3.17Å; K2393-S2396 VanDerWaalsContact O-N 3.1Å |
| 2394 | E | 33.3 | Very low | 37.4 | Very low | 136 Ų | 136 | 111 Ų | 111 | 64% | 0.636 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -68.1 | -30.2 | -175 | -72.3 | 175.3 | 155.7 | 0 | 0 | 112.5 | G2390 S2396 | G2390-E2394 PolarHBondContact O-N 2.81Å; E2394-S2396 PolarHBondContact O-N 3.22Å |
| 2395 | Y | 30 | Very low | 36.2 | Very low | 171 Ų | 171 | 114.4 Ų | 114.4 | 67% | 0.671 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.6 | 34.7 | 166.4 | -71.5 | -78.9 | 0 | 0 | 0 | 113.7 | L2391 K2393 | L2391-Y2395 WeakPolarHBondContact O-CD2 3.4Å; K2393-Y2395 VanDerWaalsContact C-N 3.31Å; K2393-Y2395 PolarHBondContact O-N 2.9Å |
| 2396 | S | 23.2 | Very low | 34.9 | Very low | 29 Ų | 29 | 119.4 Ų | 119.4 | 20% | 0.203 | 61% | 0.614 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -125.6 | -2.1 | 174 | -165.8 | 0 | 0 | 0 | 0 | 114.3 | K2393 E2394 R2402 | K2393-S2396 WeakPolarHBondContact O-CB 3.21Å; K2393-S2396 PolarHBondContact O-N 3.17Å; K2393-S2396 VanDerWaalsContact O-N 3.1Å; E2394-S2396 PolarHBondContact O-N 3.22Å; S2396-R2402 PolarHBondContact OG-NE 2.99Å |
| 2397 | Y | 27.4 | Very low | 33.2 | Very low | 221 Ų | 221 | 125 Ų | 125 | 87% | 0.867 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -116.9 | 1.8 | 175.4 | -70.6 | -64.1 | 0 | 0 | 0 | 114.3 | ||
| 2398 | T | 25.5 | Very low | 31.6 | Very low | 111 Ų | 111 | 126 Ų | 126 | 68% | 0.681 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -116.8 | 82.5 | 164.7 | 41.2 | 0 | 0 | 0 | 0 | 109.7 | ||
| 2399 | L | 24.9 | Very low | 30.1 | Very low | 157 Ų | 157 | 126.9 Ų | 126.9 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 67.6 | 139.2 | -176.5 | -67.5 | 170.9 | 0 | 0 | 0 | 117.3 | F2401 | L2399-F2401 PolarHBondContact O-N 3.36Š|
| 2400 | K | 21 | Very low | 28.4 | Very low | 152 Ų | 152 | 125.9 Ų | 125.9 | 66% | 0.661 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -65.8 | 79.9 | -178.7 | -64.7 | 168.4 | 178.3 | 171.2 | 0 | 111.7 | D869 | D869-K2400 IonicContact OD1-NZ 2.68Å; D869-K2400 PolarHBondContact OD1-NZ 2.72Å |
| 2401 | F | 25.8 | Very low | 26.7 | Very low | 196 Ų | 196 | 133.6 Ų | 133.6 | 86% | 0.86 | 68% | 0.679 | S | S | * | * | trans | -178.7 | 82 | 158 | -100.4 | -69.4 | 0 | 0 | 0 | 107 | L2399 | L2399-F2401 PolarHBondContact O-N 3.36Š| ||
| 2402 | R | 20.5 | Very low | 25.4 | Very low | 176 Ų | 176 | 136.6 Ų | 136.6 | 66% | 0.664 | 70% | 0.7 | S | S | * | * | cis | 50.3 | 130.3 | 49.3 | -98.5 | -163.7 | -170.3 | -167.7 | 8.9 | 115.4 | S2396 | S2396-R2402 PolarHBondContact OG-NE 2.99Š| ||
| 2403 | S | 22.2 | Very low | 24.3 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 66% | 0.664 | 70% | 0.697 | S | S | * | * | trans | 65.1 | 116.1 | 168.8 | -84 | 0 | 0 | 0 | 0 | 120 | ||||
| 2404 | T | 22.4 | Very low | 23.5 | Very low | 126 Ų | 126 | 134 Ų | 134 | 77% | 0.773 | 70% | 0.702 | S | S | * | * | 38 | 133.3 | 128.2 | 58 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 2405 | A | 24.7 | Very low | 23 | Very low | 96 Ų | 96 | 134.2 Ų | 134.2 | 79% | 0.793 | 71% | 0.707 | S | S | * | * | cis | -155.4 | 160.9 | 43.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | F2407 | A2405-F2407 PolarHBondContact O-N 3.42Š| ||
| 2406 | T | 21.8 | Very low | 22.7 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 79% | 0.785 | 71% | 0.706 | S | S | * | * | trans | -72.5 | 116.4 | 170.1 | -40.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 2407 | F | 23.4 | Very low | 22.8 | Very low | 178 Ų | 178 | 134.2 Ų | 134.2 | 78% | 0.781 | 72% | 0.718 | S | S | * | * | trans | -131.1 | 101 | 146.8 | -154.1 | -96.8 | 0 | 0 | 0 | 112.4 | A2405 L2409 | A2405-F2407 PolarHBondContact O-N 3.42Å; F2407-L2409 HydrophobicContact CD1-CB 4.36Å; F2407-L2409 HydrophobicContact CE1-CB 4.42Å; F2407-L2409 PolarHBondContact O-N 3.34Å; F2407-L2409 VanDerWaalsContact O-N 3.08Å | ||
| 2408 | T | 22.6 | Very low | 22.8 | Very low | 99 Ų | 99 | 127.6 Ų | 127.6 | 61% | 0.607 | 70% | 0.695 | S | S | * | * | trans | -64.5 | 98 | 162.7 | 34.6 | 0 | 0 | 0 | 0 | 110.3 | V2410 | T2408-V2410 PolarHBondContact O-N 3.38Š| ||
| 2409 | L | 22.1 | Very low | 22.6 | Very low | 135 Ų | 135 | 131.8 Ų | 131.8 | 71% | 0.707 | 71% | 0.707 | S | S | * | * | trans | -94 | 65.4 | 150 | -147.8 | 147.8 | 0 | 0 | 0 | 109 | F2407 | F2407-L2409 HydrophobicContact CD1-CB 4.36Å; F2407-L2409 HydrophobicContact CE1-CB 4.42Å; F2407-L2409 PolarHBondContact O-N 3.34Å; F2407-L2409 VanDerWaalsContact O-N 3.08Å | ||
| 2410 | V | 19.8 | Very low | 22.9 | Very low | 91 Ų | 91 | 133 Ų | 133 | 55% | 0.552 | 71% | 0.708 | S | S | * | * | -9.6 | 118.6 | 115.2 | 166.7 | 0 | 0 | 0 | 0 | 111.9 | T2408 V2412 | T2408-V2410 PolarHBondContact O-N 3.38Å; V2410-V2412 VanDerWaalsContact C-N 3.27Å; V2410-V2412 HydrophobicContact CG1-CG2 4.14Å; V2410-V2412 PolarHBondContact O-N 3.47Å | |||
| 2411 | F | 20.6 | Very low | 23.2 | Very low | 187 Ų | 187 | 131 Ų | 131 | 82% | 0.82 | 72% | 0.72 | S | S | * | * | trans | -64.1 | 88.6 | 163.9 | -84.3 | -116.2 | 0 | 0 | 0 | 109.1 | S2413 | F2411-S2413 PolarHBondContact O-N 3.06Š| ||
| 2412 | V | 21.3 | Very low | 23.2 | Very low | 130 Ų | 130 | 125.1 Ų | 125.1 | 79% | 0.788 | 72% | 0.716 | S | S | * | * | trans | -69.5 | 111.6 | 150.4 | -179.4 | 0 | 0 | 0 | 0 | 105.3 | V2410 | V2410-V2412 VanDerWaalsContact C-N 3.27Å; V2410-V2412 HydrophobicContact CG1-CG2 4.14Å; V2410-V2412 PolarHBondContact O-N 3.47Å | ||
| 2413 | S | 19.5 | Very low | 23.7 | Very low | 87 Ų | 87 | 129 Ų | 129 | 61% | 0.608 | 73% | 0.73 | S | S | * | * | trans | -74 | 169.7 | 179.9 | -63.7 | 0 | 0 | 0 | 0 | 111 | F2411 | F2411-S2413 PolarHBondContact O-N 3.06Š| ||
| 2414 | S | 21.3 | Very low | 24 | Very low | 113 Ų | 113 | 128.4 Ų | 128.4 | 79% | 0.79 | 73% | 0.731 | S | S | * | * | trans | 75.6 | 110.4 | 166.7 | -46.1 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 2415 | D | 23.6 | Very low | 24.2 | Very low | 141 Ų | 141 | 128.8 Ų | 128.8 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | -117.9 | 122.4 | 105.2 | -165.3 | 11.7 | 0 | 0 | 0 | 110.2 | |||||
| 2416 | S | 23.2 | Very low | 24.2 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | -73.3 | 135.7 | -179.5 | 41.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 2417 | K | 24.6 | Very low | 24.2 | Very low | 108 Ų | 108 | 130.1 Ų | 130.1 | 47% | 0.47 | 73% | 0.726 | S | S | . | * | trans | -135.9 | 107.9 | 152 | -75.3 | -160.2 | 179.2 | 65.6 | 0 | 113.2 | N696 N699 | N696-K2417 WeakPolarHBondContact OD1-CD 3.34Å; N699-K2417 WeakPolarHBondContact ND2-CE 3.45Å | ||
| 2418 | E | 27 | Very low | 24.1 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 38% | 0.383 | 72% | 0.721 | S | S | . | * | 50.2 | 82.8 | 128.8 | -57.8 | -179.9 | 123 | 0 | 0 | 117.9 | Q692 R695 | Q692-E2418 VanDerWaalsContact NE2-CB 3.28Å; Q692-E2418 PolarHBondContact NE2-OE2 3.21Å; R695-E2418 IonicContact CZ-OE1 3.38Å; R695-E2418 IonicContact NE-OE1 3.49Å; R695-E2418 PolarHBondContact NE-OE1 3.08Å; R695-E2418 IonicContact NE-OE2 2.7Å; R695-E2418 PolarHBondContact NE-OE2 3.11Å; R695-E2418 IonicContact NH2-OE1 3.24Å; R695-E2418 PolarHBondContact NH2-OE1 3.02Å | |||
| 2419 | E | 22.3 | Very low | 24 | Very low | 200 Ų | 200 | 130.5 Ų | 130.5 | 94% | 0.935 | 73% | 0.734 | S | S | * | * | -115.4 | 141.7 | 128.3 | -85.9 | -166.3 | 141 | 0 | 0 | 109.4 | |||||
| 2420 | E | 30.5 | Very low | 24.1 | Very low | 181 Ų | 181 | 128.3 Ų | 128.3 | 85% | 0.846 | 73% | 0.726 | S | S | * | * | trans | -79.5 | 168.9 | 167.8 | -80.6 | -174.6 | 131.6 | 0 | 0 | 110.8 | G2422 | E2420-G2422 PolarHBondContact O-N 3.11Š| ||
| 2421 | A | 27.6 | Very low | 24.3 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 91% | 0.909 | 74% | 0.743 | S | S | * | * | trans | -61.5 | 133.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 2422 | G | 26.7 | Very low | 24.5 | Very low | 74 Ų | 74 | 134.6 Ų | 134.6 | 76% | 0.763 | 74% | 0.742 | S | S | * | * | trans | -142.7 | 54.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | E2420 A2424 | E2420-G2422 PolarHBondContact O-N 3.11Å; G2422-A2424 PolarHBondContact O-N 3.3Å | ||
| 2423 | R | 29.3 | Very low | 24.7 | Very low | 256 Ų | 256 | 136.6 Ų | 136.6 | 97% | 0.966 | 74% | 0.744 | S | S | * | * | trans | -68.7 | 110.8 | -178.4 | -172.9 | -179.2 | -170.8 | 171.2 | 2.7 | 110.3 | ||||
| 2424 | A | 30.5 | Very low | 25.1 | Very low | 83 Ų | 83 | 138.1 Ų | 138.1 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | -133.4 | 133.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | G2422 | G2422-A2424 PolarHBondContact O-N 3.3Š| ||
| 2425 | N | 25.3 | Very low | 25 | Very low | 135 Ų | 135 | 137.7 Ų | 137.7 | 72% | 0.722 | 75% | 0.749 | S | S | * | * | trans | 23.6 | 92.3 | 154.4 | -59.8 | 31.3 | 0 | 0 | 0 | 119 | E2427 | N2425-E2427 PolarHBondContact ND2-OE1 3.21Š| ||
| 2426 | A | 25.4 | Very low | 25 | Very low | 96 Ų | 96 | 136.7 Ų | 136.7 | 79% | 0.793 | 75% | 0.748 | S | S | * | * | -129.8 | 126.6 | 112.6 | 0 | 0 | 0 | 0 | 0 | 105.3 | |||||
| 2427 | E | 20.9 | Very low | 25 | Very low | 156 Ų | 156 | 139.1 Ų | 139.1 | 73% | 0.729 | 75% | 0.752 | S | S | * | * | cis | 59.5 | 126 | 40.8 | -56.1 | -177.3 | -167.4 | 0 | 0 | 112.7 | N2425 | N2425-E2427 PolarHBondContact ND2-OE1 3.21Š| ||
| 2428 | A | 22.8 | Very low | 25 | Very low | 81 Ų | 81 | 140.7 Ų | 140.7 | 67% | 0.669 | 77% | 0.766 | S | S | * | * | cis | -162.5 | 172.6 | -14.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 2429 | F | 20.6 | Very low | 24.8 | Very low | 204 Ų | 204 | 143.9 Ų | 143.9 | 90% | 0.895 | 78% | 0.781 | S | S | * | * | trans | 68.3 | 136.2 | 153.8 | -92.1 | -137.8 | 0 | 0 | 0 | 118.5 | ||||
| 2430 | V | 22.3 | Very low | 24.8 | Very low | 88 Ų | 88 | 139.6 Ų | 139.6 | 53% | 0.533 | 77% | 0.769 | S | S | . | * | cis | -149.2 | 137.5 | -15 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 2431 | R | 25.6 | Very low | 24.7 | Very low | 239 Ų | 239 | 137 Ų | 137 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | 174.3 | 94.4 | 139.6 | -95.9 | 163.4 | -164.1 | -170.1 | 7.4 | 107.1 | ||||
| 2432 | H | 24.7 | Very low | 24.7 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.796 | 76% | 0.762 | S | S | * | * | 102.7 | 123.8 | 81.2 | -100.1 | 51.1 | 0 | 0 | 0 | 111.3 | |||||
| 2433 | M | 25.1 | Very low | 24.6 | Very low | 171 Ų | 171 | 141.3 Ų | 141.3 | 84% | 0.842 | 76% | 0.763 | S | S | * | * | trans | -74 | 154.9 | 177.3 | -70.5 | -73.6 | -168.1 | 0 | 0 | 111.1 | ||||
| 2434 | P | 26.8 | Very low | 24.2 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | -125.7 | 156.5 | 68.4 | 13.8 | 9.5 | 0 | 0 | 0 | 113.2 | |||||
| 2435 | S | 21 | Very low | 23.8 | Very low | 103 Ų | 103 | 136.1 Ų | 136.1 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | cis | 76.7 | 105.7 | 41 | -176 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 2436 | V | 23.9 | Very low | 24 | Very low | 121 Ų | 121 | 133.3 Ų | 133.3 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 171 | 106.3 | 161.1 | 143.2 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 2437 | I | 22 | Very low | 23.8 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 72% | 0.723 | 76% | 0.761 | S | S | * | * | 65.5 | 118.3 | 100.7 | -63.9 | 165.7 | 0 | 0 | 0 | 110.6 | |||||
| 2438 | D | 24.8 | Very low | 23.8 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | -159.8 | 164.8 | 60.4 | -125.4 | -18.3 | 0 | 0 | 0 | 116.7 | |||||
| 2439 | E | 23.7 | Very low | 23.7 | Very low | 148 Ų | 148 | 144.5 Ų | 144.5 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | trans | 41.8 | 105.5 | 148.8 | -65 | -75.5 | 82.1 | 0 | 0 | 123.7 | ||||
| 2440 | T | 21.5 | Very low | 23.7 | Very low | 111 Ų | 111 | 141.6 Ų | 141.6 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | 33.4 | 139.9 | 129.6 | 64.4 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 2441 | P | 29.3 | Very low | 23.7 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -140.1 | 121.3 | 122.4 | 35.6 | -22.3 | 0 | 0 | 0 | 116.6 | |||||
| 2442 | L | 26.5 | Very low | 23.5 | Very low | 154 Ų | 154 | 141.4 Ų | 141.4 | 81% | 0.806 | 77% | 0.769 | S | S | * | * | trans | -140.3 | 142.9 | 153.9 | -71.8 | 176.7 | 0 | 0 | 0 | 105.7 | V2444 | L2442-V2444 HydrophobicContact CD2-CG2 4.31Š| ||
| 2443 | P | 25.8 | Very low | 23.3 | Very low | 120 Ų | 120 | 138.4 Ų | 138.4 | 78% | 0.779 | 76% | 0.763 | S | S | * | * | -129.3 | 171.9 | 52.6 | 22.7 | 1.2 | 0 | 0 | 0 | 113.3 | |||||
| 2444 | V | 20.7 | Very low | 23.1 | Very low | 118 Ų | 118 | 137 Ų | 137 | 72% | 0.715 | 76% | 0.758 | S | S | * | * | cis | 87.1 | 108.4 | 27.8 | -177.7 | 0 | 0 | 0 | 0 | 115.8 | L2442 | L2442-V2444 HydrophobicContact CD2-CG2 4.31Š| ||
| 2445 | S | 21.3 | Very low | 22.8 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 75% | 0.754 | S | S | * | * | trans | 54.1 | 114.5 | 150.9 | -162.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 2446 | G | 29.9 | Very low | 22.8 | Very low | 76 Ų | 76 | 136.8 Ų | 136.8 | 78% | 0.784 | 76% | 0.755 | S | S | * | * | trans | -113.4 | 131.5 | 160.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 2447 | R | 21.7 | Very low | 22.9 | Very low | 219 Ų | 219 | 142.8 Ų | 142.8 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -74.7 | 163.5 | -175.2 | -90.2 | -178.4 | 175.5 | 166.4 | 0.2 | 113.8 | E495 | E495-R2447 IonicContact OE1-NH2 2.81Å; E495-R2447 PolarHBondContact OE1-NH2 3.38Å | ||
| 2448 | R | 20.5 | Very low | 22.9 | Very low | 244 Ų | 244 | 143.6 Ų | 143.6 | 92% | 0.921 | 77% | 0.77 | S | S | * | * | trans | -70.8 | 161.9 | 167.3 | -59.5 | 172.2 | 176.3 | 165.3 | -1.7 | 112.1 | ||||
| 2449 | S | 20.9 | Very low | 22.8 | Very low | 104 Ų | 104 | 142.3 Ų | 142.3 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | 126.5 | 153.6 | 121.3 | -153.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 2450 | L | 20.6 | Very low | 22.6 | Very low | 143 Ų | 143 | 142.8 Ų | 142.8 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | 57.5 | 133 | 179.1 | -60.6 | 111.1 | 0 | 0 | 0 | 117.2 | ||||
| 2451 | Q | 20.7 | Very low | 22.8 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | cis | 103.8 | 139.2 | 18.3 | -76.2 | -167 | -16.3 | 0 | 0 | 115.7 | ||||
| 2452 | H | 21.9 | Very low | 22.6 | Very low | 160 Ų | 160 | 142.9 Ų | 142.9 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | trans | 66.1 | 115.9 | 168.6 | -81.6 | -115.7 | 0 | 0 | 0 | 116.3 | ||||
| 2453 | V | 20.4 | Very low | 22.3 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | 77.8 | 109.1 | 64.6 | 169.3 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 2454 | D | 22.2 | Very low | 22.1 | Very low | 141 Ų | 141 | 143.1 Ų | 143.1 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | -162.6 | 155.3 | 109.2 | -117.9 | -31.6 | 0 | 0 | 0 | 118.1 | |||||
| 2455 | T | 20.7 | Very low | 22.2 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | trans | -2.2 | 139.9 | 168.2 | 51.4 | 0 | 0 | 0 | 0 | 125.9 | ||||
| 2456 | S | 20.6 | Very low | 22.2 | Very low | 106 Ų | 106 | 142.3 Ų | 142.3 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | 91.6 | 120.5 | 127.6 | 74.5 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 2457 | R | 26.1 | Very low | 21.8 | Very low | 246 Ų | 246 | 143.6 Ų | 143.6 | 93% | 0.928 | 79% | 0.788 | S | S | * | * | trans | 170.7 | 110.3 | 147.3 | -92.5 | 158.6 | -166.4 | -164.2 | 4.7 | 105.3 | ||||
| 2458 | N | 21.4 | Very low | 21.8 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 78% | 0.784 | S | S | * | * | cis | 84.9 | 147.7 | 40.2 | -157.5 | 16.2 | 0 | 0 | 0 | 114.1 | ||||
| 2459 | C | 22.5 | Very low | 21.8 | Very low | 115 Ų | 115 | 131.4 Ų | 131.4 | 78% | 0.777 | 77% | 0.774 | S | S | * | * | trans | 68.7 | 145.9 | -175.7 | 74 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 2460 | N | 20.4 | Very low | 21.8 | Very low | 159 Ų | 159 | 133.9 Ų | 133.9 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -110.4 | -155.6 | -172.9 | -61.5 | -51.7 | 0 | 0 | 0 | 111.3 | ||||
| 2461 | V | 24.4 | Very low | 21.9 | Very low | 144 Ų | 144 | 134.6 Ų | 134.6 | 87% | 0.873 | 77% | 0.773 | S | S | * | * | trans | 89.9 | 128 | 171.5 | -176.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 2462 | A | 24.9 | Very low | 21.9 | Very low | 94 Ų | 94 | 135.9 Ų | 135.9 | 78% | 0.777 | 77% | 0.771 | S | S | * | * | cis | -161.8 | 154.9 | -18.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2463 | S | 21.1 | Very low | 21.9 | Very low | 125 Ų | 125 | 140.2 Ų | 140.2 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -150.6 | 140.7 | 150.1 | 56.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 2464 | D | 21.1 | Very low | 22.1 | Very low | 155 Ų | 155 | 139.7 Ų | 139.7 | 83% | 0.829 | 78% | 0.778 | S | S | * | * | trans | -133.1 | 153.6 | -174.5 | -162.4 | -1.1 | 0 | 0 | 0 | 110.8 | ||||
| 2465 | S | 22.4 | Very low | 22.2 | Very low | 98 Ų | 98 | 136.6 Ų | 136.6 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | 65.8 | 133.5 | 173.4 | 76 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 2466 | S | 22.4 | Very low | 22.4 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | 69.6 | 143 | 158 | 79.5 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 2467 | S | 21.2 | Very low | 22.4 | Very low | 102 Ų | 102 | 139 Ų | 139 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | cis | -152.6 | 163.1 | -10.6 | 55.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 2468 | S | 21.2 | Very low | 22.3 | Very low | 108 Ų | 108 | 135.4 Ų | 135.4 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 63.3 | 129.4 | -170.5 | 71.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 2469 | S | 20.6 | Very low | 22.4 | Very low | 100 Ų | 100 | 131.3 Ų | 131.3 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | cis | 75.1 | 133.1 | 30.9 | 92.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2470 | Q | 21.1 | Very low | 22.3 | Very low | 155 Ų | 155 | 131.6 Ų | 131.6 | 72% | 0.724 | 78% | 0.782 | S | S | * | * | cis | -163.3 | 142.8 | -1.6 | -130.8 | 170.8 | -1.5 | 0 | 0 | 110.5 | ||||
| 2471 | H | 22.4 | Very low | 22.4 | Very low | 158 Ų | 158 | 129 Ų | 129 | 73% | 0.731 | 78% | 0.776 | S | S | * | * | trans | 57.5 | 156.6 | 151.3 | -70 | -28.1 | 0 | 0 | 0 | 120.6 | ||||
| 2472 | R | 21.5 | Very low | 22.3 | Very low | 191 Ų | 191 | 128.5 Ų | 128.5 | 72% | 0.721 | 77% | 0.768 | S | S | * | * | cis | -165.9 | 128.5 | -26.6 | -178.4 | -178.4 | -158.4 | 176 | 4.2 | 107.1 | T2474 | R2472-T2474 HydrophobicContact CG-CG2 4.18Š| ||
| 2473 | R | 22.2 | Very low | 22.1 | Very low | 252 Ų | 252 | 130.2 Ų | 130.2 | 95% | 0.951 | 76% | 0.76 | S | S | * | * | trans | -85.7 | 121.9 | 159.1 | -87.7 | -171 | 179.8 | 178.5 | 1.4 | 108.8 | ||||
| 2474 | T | 24.7 | Very low | 22.2 | Very low | 97 Ų | 97 | 131 Ų | 131 | 60% | 0.595 | 75% | 0.75 | S | S | * | * | trans | -147.2 | 107.8 | 157.9 | 41.9 | 0 | 0 | 0 | 0 | 107.8 | R2472 | R2472-T2474 HydrophobicContact CG-CG2 4.18Š| ||
| 2475 | G | 22.9 | Very low | 22.3 | Very low | 76 Ų | 76 | 131 Ų | 131 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | -84.2 | 142.2 | 156.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 2476 | H | 24.4 | Very low | 22.3 | Very low | 191 Ų | 191 | 134.5 Ų | 134.5 | 88% | 0.884 | 75% | 0.746 | S | S | * | * | trans | -140.2 | 154.6 | 163.3 | -108.9 | -83.5 | 0 | 0 | 0 | 108 | ||||
| 2477 | A | 21.7 | Very low | 22.4 | Very low | 78 Ų | 78 | 137 Ų | 137 | 65% | 0.645 | 75% | 0.748 | S | S | * | * | trans | -90.9 | 176.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 2478 | D | 22.9 | Very low | 22.9 | Very low | 171 Ų | 171 | 138 Ų | 138 | 91% | 0.914 | 75% | 0.752 | S | S | * | * | trans | 76.5 | 139.3 | 169.4 | -51.4 | -31.8 | 0 | 0 | 0 | 117.6 | ||||
| 2479 | G | 24.2 | Very low | 23.1 | Very low | 72 Ų | 72 | 136.6 Ų | 136.6 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 109.5 | 74 | -165.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 2480 | S | 21.5 | Very low | 23.6 | Very low | 122 Ų | 122 | 141.5 Ų | 141.5 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | 60.5 | 111.6 | 85.9 | -162.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 2481 | S | 21.7 | Very low | 24 | Very low | 105 Ų | 105 | 139.8 Ų | 139.8 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -68.6 | 146.5 | 168.8 | 52.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 2482 | D | 23 | Very low | 24.1 | Very low | 132 Ų | 132 | 134.8 Ų | 134.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | -156.3 | 150.5 | 131.8 | -129.2 | -23.5 | 0 | 0 | 0 | 116.7 | ||||
| 2483 | Q | 20.7 | Very low | 24.3 | Very low | 131 Ų | 131 | 131.6 Ų | 131.6 | 61% | 0.612 | 74% | 0.738 | S | S | * | * | trans | 20.2 | 125.5 | 157 | -77 | 158 | 67.5 | 0 | 0 | 123.3 | ||||
| 2484 | E | 22.2 | Very low | 24.4 | Very low | 141 Ų | 141 | 126.9 Ų | 126.9 | 66% | 0.659 | 73% | 0.73 | S | S | * | * | 30.2 | 117.4 | 122.3 | -57.4 | -168 | 155 | 0 | 0 | 120 | |||||
| 2485 | K | 23 | Very low | 24.3 | Very low | 154 Ų | 154 | 126.8 Ų | 126.8 | 67% | 0.67 | 73% | 0.73 | S | S | * | * | -167.6 | 128.9 | 116 | -94.1 | 133.8 | -146.1 | 108.7 | 0 | 107.9 | |||||
| 2486 | K | 22.6 | Very low | 24.4 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | 68.6 | 151.1 | 72.7 | -72.9 | -177.7 | 175 | 172.3 | 0 | 113.1 | |||||
| 2487 | I | 24.4 | Very low | 24.4 | Very low | 167 Ų | 167 | 127.7 Ų | 127.7 | 86% | 0.856 | 72% | 0.721 | S | S | * | * | trans | 89.2 | 136.8 | 172.1 | -62.5 | 162.4 | 0 | 0 | 0 | 113.8 | ||||
| 2488 | P | 31.9 | Very low | 24.3 | Very low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 72% | 0.724 | S | S | * | * | trans | -122.6 | 161.7 | -151 | 39.4 | -23.6 | 0 | 0 | 0 | 114.9 | ||||
| 2489 | G | 25.5 | Very low | 24.3 | Very low | 77 Ų | 77 | 127 Ų | 127 | 79% | 0.794 | 71% | 0.708 | S | S | * | * | trans | -135.2 | 114.7 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 2490 | R | 31.2 | Very low | 24.4 | Very low | 203 Ų | 203 | 130.2 Ų | 130.2 | 77% | 0.766 | 71% | 0.713 | S | S | * | * | trans | -138.3 | 106.6 | 174.1 | -154 | -158.1 | 176.3 | -156.8 | 1.1 | 109.6 | T2492 | R2490-T2492 VanDerWaalsContact C-OG1 3.32Å; R2490-T2492 WeakPolarHBondContact CD-OG1 3.4Å; R2490-T2492 WeakPolarHBondContact CG-OG1 3.41Å; R2490-T2492 PolarHBondContact O-OG1 3.4Å; R2490-T2492 VanDerWaalsContact O-OG1 3.11Å | ||
| 2491 | P | 29.1 | Very low | 24.4 | Very low | 119 Ų | 119 | 130 Ų | 130 | 77% | 0.773 | 70% | 0.701 | S | S | * | * | -93.8 | 120.3 | 121.9 | 30.3 | -28.3 | 0 | 0 | 0 | 106.5 | |||||
| 2492 | T | 24.7 | Very low | 24.8 | Very low | 53 Ų | 53 | 129.1 Ų | 129.1 | 33% | 0.325 | 71% | 0.708 | S | S | . | * | cis | 58.4 | 149.1 | 28.2 | -14.8 | 0 | 0 | 0 | 0 | 112.7 | R2490 | R2490-T2492 VanDerWaalsContact C-OG1 3.32Å; R2490-T2492 WeakPolarHBondContact CD-OG1 3.4Å; R2490-T2492 WeakPolarHBondContact CG-OG1 3.41Å; R2490-T2492 PolarHBondContact O-OG1 3.4Å; R2490-T2492 VanDerWaalsContact O-OG1 3.11Å | ||
| 2493 | D | 25.5 | Very low | 24.9 | Very low | 124 Ų | 124 | 126.5 Ų | 126.5 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | trans | 74.9 | 137.6 | 168.4 | -48.8 | -34.7 | 0 | 0 | 0 | 115 | ||||
| 2494 | L | 25.8 | Very low | 25 | Very low | 153 Ų | 153 | 126 Ų | 126 | 80% | 0.801 | 71% | 0.712 | S | S | * | * | cis | -117.1 | 121.9 | -3.9 | -83.9 | 96.7 | 0 | 0 | 0 | 112.8 | ||||
| 2495 | T | 22.4 | Very low | 25.1 | Very low | 95 Ų | 95 | 123.3 Ų | 123.3 | 58% | 0.583 | 71% | 0.713 | S | S | * | * | 18.7 | 115.8 | 117.1 | 67 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 2496 | T | 24.4 | Very low | 25.1 | Very low | 126 Ų | 126 | 123 Ų | 123 | 77% | 0.773 | 72% | 0.719 | S | S | * | * | -154.2 | 111.2 | 127.7 | 16.9 | 0 | 0 | 0 | 0 | 105.6 | |||||
| 2497 | K | 23.7 | Very low | 25.3 | Very low | 161 Ų | 161 | 120 Ų | 120 | 70% | 0.7 | 72% | 0.715 | S | S | * | * | 82.3 | 156.7 | 60.7 | -80.7 | -175.3 | 164.7 | -164.2 | 0 | 112.7 | |||||
| 2498 | E | 20.6 | Very low | 25.2 | Very low | 152 Ų | 152 | 115.7 Ų | 115.7 | 71% | 0.71 | 70% | 0.704 | S | S | * | * | trans | 56.1 | 112.8 | 178.5 | -72.2 | 95.2 | -116 | 0 | 0 | 115.1 | ||||
| 2499 | S | 21.9 | Very low | 24.8 | Very low | 83 Ų | 83 | 114.1 Ų | 114.1 | 58% | 0.58 | 70% | 0.697 | S | S | * | * | cis | 77.2 | 70.3 | 26 | 99.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 2500 | T | 28 | Very low | 25.7 | Very low | 138 Ų | 138 | 116.5 Ų | 116.5 | 85% | 0.847 | 70% | 0.698 | S | S | * | * | -118.3 | 121.9 | 121 | 10.7 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 2501 | I | 20.7 | Very low | 25.5 | Very low | 118 Ų | 118 | 116.9 Ų | 116.9 | 61% | 0.605 | 70% | 0.699 | S | S | * | * | cis | 58.9 | 54.6 | 43.2 | -42.4 | -177 | 0 | 0 | 0 | 110.4 | S2503 | I2501-S2503 VanDerWaalsContact CG2-OG 3.3Å; I2501-S2503 WeakPolarHBondContact CG2-OG 3.32Å; I2501-S2503 PolarHBondContact O-N 3.36Å | ||
| 2502 | G | 29.9 | Very low | 25.7 | Very low | 86 Ų | 86 | 116.4 Ų | 116.4 | 89% | 0.887 | 70% | 0.699 | S | S | * | * | -67.9 | 78.7 | 125.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 2503 | S | 24.6 | Very low | 25.6 | Very low | 78 Ų | 78 | 123.5 Ų | 123.5 | 55% | 0.545 | 73% | 0.725 | S | S | . | * | trans | -89.3 | 167.5 | 147.8 | 64.8 | 0 | 0 | 0 | 0 | 107.6 | I2501 | I2501-S2503 VanDerWaalsContact CG2-OG 3.3Å; I2501-S2503 WeakPolarHBondContact CG2-OG 3.32Å; I2501-S2503 PolarHBondContact O-N 3.36Å | ||
| 2504 | S | 23.1 | Very low | 25.7 | Very low | 121 Ų | 121 | 125 Ų | 125 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 68 | 150.8 | -178.3 | 82.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 2505 | A | 24.3 | Very low | 25.5 | Very low | 83 Ų | 83 | 127 Ų | 127 | 69% | 0.686 | 74% | 0.742 | S | S | * | * | cis | -151 | 20 | -23.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | T2507 | A2505-T2507 PolarHBondContact O-N 2.9Š| ||
| 2506 | D | 23.3 | Very low | 25.8 | Very low | 148 Ų | 148 | 129.7 Ų | 129.7 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -94.5 | 108.3 | -170.4 | -84.2 | -60.4 | 0 | 0 | 0 | 115.9 | ||||
| 2507 | T | 26.6 | Very low | 25.9 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 67% | 0.669 | 75% | 0.754 | S | S | * | * | 38.9 | 98.6 | 108 | 71 | 0 | 0 | 0 | 0 | 115.6 | A2505 | A2505-T2507 PolarHBondContact O-N 2.9Š| |||
| 2508 | A | 22.1 | Very low | 25.8 | Very low | 77 Ų | 77 | 128.8 Ų | 128.8 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | 74.7 | 114.2 | 50.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 2509 | S | 23.2 | Very low | 25.9 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 65% | 0.65 | 75% | 0.752 | S | S | * | * | trans | 86.4 | 138.3 | 177.3 | -150.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 2510 | P | 44.9 | Very low | 26 | Very low | 127 Ų | 127 | 128.1 Ų | 128.1 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | cis | -88.9 | 139.3 | -7.2 | 35 | -31.9 | 0 | 0 | 0 | 111.9 | ||||
| 2511 | R | 26.3 | Very low | 25.6 | Very low | 210 Ų | 210 | 132.1 Ų | 132.1 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | cis | 86.3 | 54.4 | 11.6 | -68.5 | -174.4 | 165.2 | -177.2 | -1.9 | 119.9 | ||||
| 2512 | S | 33.7 | Very low | 25.6 | Very low | 109 Ų | 109 | 134.3 Ų | 134.3 | 76% | 0.762 | 77% | 0.773 | S | S | * | * | trans | -145 | 118.7 | 153.2 | 49.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2513 | K | 22.2 | Very low | 25.5 | Very low | 203 Ų | 203 | 136.5 Ų | 136.5 | 88% | 0.883 | 77% | 0.769 | S | S | * | * | 63.7 | 69.1 | 67 | -75.1 | -166.8 | 177 | 178.9 | 0 | 116.1 | |||||
| 2514 | T | 28 | Very low | 25.3 | Very low | 154 Ų | 154 | 139.3 Ų | 139.3 | 95% | 0.945 | 78% | 0.777 | S | S | * | * | trans | -165.8 | 171.9 | 137.2 | 8.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 2515 | K | 22 | Very low | 25.2 | Very low | 197 Ų | 197 | 142 Ų | 142 | 86% | 0.857 | 77% | 0.774 | S | S | * | * | trans | -116.7 | 131.5 | -175.5 | -53.7 | 166.8 | -179.1 | 173.3 | 0 | 110.6 | ||||
| 2516 | L | 27.5 | Very low | 25.1 | Very low | 151 Ų | 151 | 143 Ų | 143 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | 179.1 | 136.7 | 157.8 | -97 | 140.7 | 0 | 0 | 0 | 106.4 | ||||
| 2517 | F | 26.8 | Very low | 25.2 | Very low | 190 Ų | 190 | 146.2 Ų | 146.2 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | cis | -118.6 | 144.2 | 4.4 | -82.4 | -105.4 | 0 | 0 | 0 | 112.1 | ||||
| 2518 | G | 23 | Very low | 25 | Very low | 78 Ų | 78 | 146.8 Ų | 146.8 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -153.4 | 122.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 2519 | G | 22.6 | Very low | 25.1 | Very low | 55 Ų | 55 | 147.8 Ų | 147.8 | 57% | 0.567 | 80% | 0.799 | S | S | * | * | trans | 85.6 | 125.9 | -158.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 2520 | I | 22.4 | Very low | 25.1 | Very low | 166 Ų | 166 | 147.2 Ų | 147.2 | 85% | 0.851 | 81% | 0.808 | S | S | * | * | cis | 57.3 | 90.2 | 12.2 | -47 | 178 | 0 | 0 | 0 | 113.4 | ||||
| 2521 | R | 19.7 | Very low | 24 | Very low | 221 Ų | 221 | 146.3 Ų | 146.3 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -163 | 138.1 | 138.6 | -113.4 | 172.5 | -171.4 | -164 | 1.7 | 111.4 | ||||
| 2522 | Q | 22.3 | Very low | 23.8 | Very low | 165 Ų | 165 | 141.5 Ų | 141.5 | 77% | 0.771 | 80% | 0.803 | S | S | * | * | S | Bend | trans | 67.2 | 134.2 | 164.9 | -59.3 | 164.2 | -4.5 | 0 | 0 | 115.4 | ||
| 2523 | T | 27 | Very low | 23.2 | Very low | 132 Ų | 132 | 140.5 Ų | 140.5 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | cis | -120.8 | 113.2 | -6.8 | 48.7 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 2524 | L | 21.1 | Very low | 23.3 | Very low | 137 Ų | 137 | 140.5 Ų | 140.5 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | 43.4 | 127.6 | 74.2 | -83 | 178.6 | 0 | 0 | 0 | 115.9 | |||||
| 2525 | K | 20.8 | Very low | 23.3 | Very low | 178 Ų | 178 | 136.6 Ų | 136.6 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | trans | 71.2 | 93.8 | 152.6 | -68 | 175.3 | 177 | -177.7 | 0 | 116.6 | ||||
| 2526 | S | 21.3 | Very low | 23.5 | Very low | 104 Ų | 104 | 133 Ų | 133 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 79.1 | 124.2 | 68.2 | 71.9 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 2527 | K | 25.6 | Very low | 23.6 | Very low | 215 Ų | 215 | 135.3 Ų | 135.3 | 94% | 0.935 | 79% | 0.785 | S | S | * | * | trans | -141.2 | 106.5 | 142.9 | -114.6 | 172.5 | -177.3 | 177.2 | 0 | 110.1 | ||||
| 2528 | S | 22.7 | Very low | 23.4 | Very low | 121 Ų | 121 | 131.3 Ų | 131.3 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | trans | -80.6 | 109 | 171.6 | 48.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 2529 | A | 24.1 | Very low | 24.1 | Very low | 97 Ų | 97 | 133.2 Ų | 133.2 | 80% | 0.802 | 78% | 0.778 | S | S | * | * | trans | -169.8 | 123 | 157.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 2530 | G | 22.9 | Very low | 24.3 | Very low | 82 Ų | 82 | 135 Ų | 135 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | cis | 94.1 | 59.1 | 9.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 2531 | S | 21.7 | Very low | 24.8 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -163.8 | 165.5 | 159.4 | 71.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 2532 | S | 22.7 | Very low | 25.6 | Very low | 108 Ų | 108 | 127 Ų | 127 | 76% | 0.755 | 78% | 0.778 | S | S | * | * | trans | 67.8 | 145 | 171.2 | 77.1 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 2533 | S | 21.4 | Very low | 25.7 | Very low | 89 Ų | 89 | 127.1 Ų | 127.1 | 62% | 0.622 | 78% | 0.783 | S | S | * | * | 175.5 | 155.7 | -60.3 | 53.7 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 2534 | K | 24.5 | Very low | 26 | Very low | 203 Ų | 203 | 126.3 Ų | 126.3 | 88% | 0.883 | 78% | 0.78 | S | S | * | * | trans | 72.3 | 138.5 | 161.9 | -59.8 | 158 | -178.8 | 178 | 0 | 116.5 | ||||
| 2535 | G | 27.2 | Very low | 26.4 | Very low | 72 Ų | 72 | 122.5 Ų | 122.5 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 132.7 | 49.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 2536 | V | 26.6 | Very low | 26.8 | Very low | 121 Ų | 121 | 121.1 Ų | 121.1 | 73% | 0.733 | 77% | 0.774 | S | S | * | * | 80.3 | 129.3 | 70.4 | 168.2 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 2537 | K | 28.8 | Very low | 26.9 | Very low | 200 Ų | 200 | 121 Ų | 121 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | 89 | 134.8 | 166.6 | -79.8 | 168.6 | -178.3 | -179 | 0 | 120.9 | ||||
| 2538 | S | 23.7 | Very low | 26.8 | Very low | 106 Ų | 106 | 115.3 Ų | 115.3 | 74% | 0.741 | 75% | 0.745 | S | S | * | * | trans | -95.6 | -165.5 | 166.3 | 54.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 2539 | P | 36.8 | Very low | 27.4 | Very low | 117 Ų | 117 | 122.1 Ų | 122.1 | 76% | 0.76 | 76% | 0.76 | S | S | * | * | cis | -132.1 | 164.8 | -17.5 | 38.4 | -23.4 | 0 | 0 | 0 | 114.7 | ||||
| 2540 | A | 28 | Very low | 27.5 | Very low | 93 Ų | 93 | 123.4 Ų | 123.4 | 77% | 0.769 | 76% | 0.758 | S | S | * | * | trans | -171.4 | 148 | 153.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 2541 | S | 31.3 | Very low | 27.8 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | 33.1 | 141.1 | 146.4 | 60 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 2542 | P | 37.4 | Very low | 28.1 | Very low | 110 Ų | 110 | 126.6 Ų | 126.6 | 71% | 0.714 | 75% | 0.753 | S | S | * | * | trans | -99.5 | -169.9 | 155.4 | 42.1 | -34.7 | 0 | 0 | 0 | 112.9 | ||||
| 2543 | L | 25.1 | Very low | 28.5 | Very low | 167 Ų | 167 | 127.6 Ų | 127.6 | 87% | 0.874 | 75% | 0.753 | S | S | * | * | trans | 80.1 | 158.6 | 161.5 | -68 | 169.5 | 0 | 0 | 0 | 118.8 | ||||
| 2544 | P | 32 | Very low | 28.9 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 75% | 0.753 | 76% | 0.761 | S | S | * | * | trans | -126.6 | 177.1 | -155.8 | 43.9 | -29.6 | 0 | 0 | 0 | 115.1 | ||||
| 2545 | G | 30.5 | Very low | 29.2 | Very low | 56 Ų | 56 | 125.2 Ų | 125.2 | 58% | 0.577 | 75% | 0.753 | S | S | * | * | trans | -140.2 | 94.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | K2547 | G2545-K2547 CarbonylContact O-C 3.58Å; G2545-K2547 WeakPolarHBondContact O-CA 3.25Å; G2545-K2547 WeakPolarHBondContact O-CB 3.5Å; G2545-K2547 PolarHBondContact O-N 3.38Å | ||
| 2546 | L | 28.3 | Very low | 29.3 | Very low | 150 Ų | 150 | 129 Ų | 129 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 28.1 | -109 | 179.8 | -144.3 | -175.9 | 0 | 0 | 0 | 116.4 | ||
| 2547 | K | 23.7 | Very low | 29.5 | Very low | 100 Ų | 100 | 129.6 Ų | 129.6 | 44% | 0.435 | 76% | 0.755 | S | S | . | * | 75.7 | 136.7 | 74.9 | -86 | 159.7 | -178.6 | 167.9 | 0 | 113 | E235 G2545 | E235-K2547 IonicContact OE1-NZ 3.18Å; E235-K2547 PolarHBondContact OE1-NZ 3.19Å; G2545-K2547 CarbonylContact O-C 3.58Å; G2545-K2547 WeakPolarHBondContact O-CA 3.25Å; G2545-K2547 WeakPolarHBondContact O-CB 3.5Å; G2545-K2547 PolarHBondContact O-N 3.38Å | |||
| 2548 | P | 23.4 | Very low | 29.6 | Very low | 97 Ų | 97 | 123.8 Ų | 123.8 | 63% | 0.63 | 75% | 0.746 | S | S | * | * | -147.1 | -176.2 | -108.3 | 43.7 | -24.3 | 0 | 0 | 0 | 114.9 | |||||
| 2549 | K | 35 | Very low | 30.1 | Very low | 264 Ų | 264 | 125.4 Ų | 125.4 | 100% | 1.148 | 75% | 0.746 | S | S | * | * | -116.8 | 0 | 106.9 | -83.2 | -164.7 | 169.7 | -168.8 | 0 | 108.5 |
Retrieved 2,549 of 2,549 residues in 1033.9 ms
(Link to these results)