| 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 | 46.9 | Very low | 73 | Confident | 125 Ų | 125 | 89.5 Ų | 89.5 | 62% | 0.616 | 49% | 0.49 | S | S | * | . | 0 | 124.8 | 0 | -83.8 | -171.2 | 168.3 | 0 | 0 | 106.1 | T3 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.45Å | |||
| 2 | A | 39.6 | Very low | 74.5 | Confident | 35 Ų | 35 | 88.6 Ų | 88.6 | 29% | 0.289 | 49% | 0.488 | S | S | . | . | trans | -53.6 | 102.9 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | V4 T90 E92 | A2-V4 PolarHBondContact O-N 2.92Å; A2-T90 HydrophobicContact CB-CG2 4.09Å; A2-E92 WeakPolarHBondContact CA-OE2 3.43Å; A2-E92 WeakPolarHBondContact CB-OE2 3.49Å | ||
| 3 | T | 51 | Low | 75.8 | Confident | 101 Ų | 101 | 94.4 Ų | 94.4 | 62% | 0.62 | 50% | 0.5 | S | S | * | . | trans | -75.9 | 90.6 | 179.3 | 40.4 | 0 | 0 | 0 | 0 | 104.2 | M1 Q5 | M1-T3 VanDerWaalsContact C-N 3.28Å; M1-T3 PolarHBondContact O-N 3.45Å; T3-Q5 VanDerWaalsContact C-N 3.28Å; T3-Q5 WeakPolarHBondContact O-CG 3.5Å; T3-Q5 PolarHBondContact O-N 3.16Å | ||
| 4 | V | 64.4 | Low | 76.9 | Confident | 59 Ų | 59 | 88.7 Ų | 88.7 | 36% | 0.358 | 47% | 0.47 | S | S | . | . | trans | -55.2 | 106.2 | 163.3 | -179.5 | 0 | 0 | 0 | 0 | 105 | A2 V6 L216 Q217 | A2-V4 PolarHBondContact O-N 2.92Å; V4-V6 VanDerWaalsContact C-N 3.28Å; V4-V6 HydrophobicContact CG1-CG2 3.95Å; V4-V6 PolarHBondContact O-N 3.48Å; V4-L216 HydrophobicContact CG2-CB 4.08Å; V4-L216 HydrophobicContact CG2-CD1 4.35Å; V4-Q217 HydrophobicContact CG1-CG 4.3Å | ||
| 5 | Q | 69.5 | Low | 77.8 | Confident | 179 Ų | 179 | 87.5 Ų | 87.5 | 84% | 0.836 | 46% | 0.463 | S | S | * | . | trans | -78 | 88.9 | -179.6 | -68.7 | -164.4 | -5.1 | 0 | 0 | 107 | T3 | T3-Q5 VanDerWaalsContact C-N 3.28Å; T3-Q5 WeakPolarHBondContact O-CG 3.5Å; T3-Q5 PolarHBondContact O-N 3.16Å | ||
| 6 | V | 82.4 | Confident | 78.6 | Confident | 16 Ų | 16 | 88.4 Ų | 88.4 | 10% | 0.097 | 46% | 0.464 | C | S | . | . | trans | -78.4 | 129.8 | 174.3 | -168.9 | 0 | 0 | 0 | 0 | 108.2 | V4 E10 K11 Q217 A220 | V4-V6 VanDerWaalsContact C-N 3.28Å; V4-V6 HydrophobicContact CG1-CG2 3.95Å; V4-V6 PolarHBondContact O-N 3.48Å; V6-E10 HydrophobicContact CG1-CB 3.42Å; V6-E10 VanDerWaalsContact CG1-CB 3.42Å; V6-E10 HydrophobicContact CG1-CG 4.46Å; V6-K11 HydrophobicContact CB-CG 4.16Å; V6-K11 HydrophobicContact CG1-CG 3.91Å; V6-K11 WeakPolarHBondContact O-CE 3.19Å; V6-Q217 HydrophobicContact CG2-CB 4.44Å; V6-A220 HydrophobicContact CG2-CB 3.93Å | ||
| 7 | S | 90.2 | Very high | 79.3 | Confident | 56 Ų | 56 | 84.1 Ų | 84.1 | 39% | 0.392 | 45% | 0.446 | S | S | . | . | trans | -64.5 | 155.9 | 175.5 | 68.1 | 0 | 0 | 0 | 0 | 111.2 | A9 E10 K11 | S7-A9 PolarHBondContact O-N 3.27Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.36Å; S7-E10 PolarHBondContact N-OE2 3.36Å; S7-E10 PolarHBondContact O-N 3.2Å; S7-E10 WeakPolarHBondContact OG-CB 3.31Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.34Å; S7-E10 PolarHBondContact OG-N 3.3Å; S7-E10 PolarHBondContact OG-OE2 3.31Å; S7-K11 WeakPolarHBondContact O-CG 3.48Å; S7-K11 PolarHBondContact O-N 2.85Å | ||
| 8 | E | 87.6 | Confident | 79.9 | Confident | 164 Ų | 164 | 79.6 Ų | 79.6 | 77% | 0.766 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -62.2 | -34.6 | 179.7 | -63.9 | -166.1 | 105.2 | 0 | 0 | 112.4 | K11 V12 | E8-K11 PolarHBondContact O-N 2.67Å; E8-V12 VanDerWaalsContact O-CG2 3.32Å; E8-V12 WeakPolarHBondContact O-CG2 3.43Å; E8-V12 PolarHBondContact O-N 3.31Å |
| 9 | A | 91.8 | Very high | 80.3 | Confident | 76 Ų | 76 | 85.9 Ų | 85.9 | 63% | 0.628 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64 | -42.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S7 V12 Y13 | S7-A9 PolarHBondContact O-N 3.27Å; A9-V12 PolarHBondContact O-N 2.94Å; A9-Y13 WeakPolarHBondContact O-CB 3.35Å; A9-Y13 PolarHBondContact O-N 3.22Å |
| 10 | E | 89.6 | Confident | 80.7 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 175.4 | -73.5 | 166.6 | 134.7 | 0 | 0 | 111.7 | V6 S7 V12 Y13 I14 | V6-E10 HydrophobicContact CG1-CB 3.42Å; V6-E10 VanDerWaalsContact CG1-CB 3.42Å; V6-E10 HydrophobicContact CG1-CG 4.46Å; S7-E10 VanDerWaalsContact CB-OE2 3.31Å; S7-E10 WeakPolarHBondContact CB-OE2 3.36Å; S7-E10 PolarHBondContact N-OE2 3.36Å; S7-E10 PolarHBondContact O-N 3.2Å; S7-E10 WeakPolarHBondContact OG-CB 3.31Å; S7-E10 VanDerWaalsContact OG-CD 3.23Å; S7-E10 WeakPolarHBondContact OG-CG 3.34Å; S7-E10 PolarHBondContact OG-N 3.3Å; S7-E10 PolarHBondContact OG-OE2 3.31Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.84Å; E10-Y13 WeakPolarHBondContact O-CB 3.28Å; E10-Y13 PolarHBondContact O-N 3.1Å; E10-I14 VanDerWaalsContact O-CG1 3.31Å; E10-I14 WeakPolarHBondContact O-CG1 3.45Å; E10-I14 PolarHBondContact O-N 3.04Å |
| 11 | K | 89.8 | Confident | 81 | Confident | 79 Ų | 79 | 86.3 Ų | 86.3 | 34% | 0.343 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 174.9 | -67.4 | -179.9 | -178.3 | 173.4 | 0 | 111.7 | V6 S7 E8 I14 L15 | V6-K11 HydrophobicContact CB-CG 4.16Å; V6-K11 HydrophobicContact CG1-CG 3.91Å; V6-K11 WeakPolarHBondContact O-CE 3.19Å; S7-K11 WeakPolarHBondContact O-CG 3.48Å; S7-K11 PolarHBondContact O-N 2.85Å; E8-K11 PolarHBondContact O-N 2.67Å; K11-I14 PolarHBondContact O-N 3.08Å; K11-L15 WeakPolarHBondContact O-CB 3.41Å; K11-L15 PolarHBondContact O-N 2.81Å |
| 12 | V | 91.8 | Very high | 82.9 | Confident | 78 Ų | 78 | 85.7 Ų | 85.7 | 47% | 0.473 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.4 | -44.1 | 177.2 | 171 | 0 | 0 | 0 | 0 | 110.3 | E8 A9 E10 I14 L15 H16 | E8-V12 VanDerWaalsContact O-CG2 3.32Å; E8-V12 WeakPolarHBondContact O-CG2 3.43Å; E8-V12 PolarHBondContact O-N 3.31Å; A9-V12 PolarHBondContact O-N 2.94Å; E10-V12 VanDerWaalsContact C-N 3.33Å; E10-V12 PolarHBondContact O-N 2.84Å; V12-I14 PolarHBondContact O-N 2.78Å; V12-L15 PolarHBondContact O-N 3.39Å; V12-H16 VanDerWaalsContact CG1-CD2 3.48Å; V12-H16 WeakPolarHBondContact CG1-CD2 3.49Å; V12-H16 PolarHBondContact O-CD2 3.35Å; V12-H16 PolarHBondContact O-N 3.3Å |
| 13 | Y | 91.4 | Very high | 85.2 | Confident | 164 Ų | 164 | 84.7 Ų | 84.7 | 64% | 0.643 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58.2 | -48.2 | 175.9 | 180 | -99.2 | 0 | 0 | 0 | 112.3 | A9 E10 L15 H16 G17 V24 | A9-Y13 WeakPolarHBondContact O-CB 3.35Å; A9-Y13 PolarHBondContact O-N 3.22Å; E10-Y13 WeakPolarHBondContact O-CB 3.28Å; E10-Y13 PolarHBondContact O-N 3.1Å; Y13-L15 PolarHBondContact O-N 3.49Å; Y13-H16 PolarHBondContact O-N 3.06Å; Y13-G17 PolarHBondContact O-N 3.38Å; Y13-V24 HydrophobicContact CE1-CG1 4.38Å |
| 14 | I | 90.1 | Very high | 86.8 | Confident | 15 Ų | 15 | 83.7 Ų | 83.7 | 8% | 0.077 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 178.2 | -68.1 | 166.2 | 0 | 0 | 0 | 110.9 | E10 K11 V12 H16 G17 I18 Q217 E218 | E10-I14 VanDerWaalsContact O-CG1 3.31Å; E10-I14 WeakPolarHBondContact O-CG1 3.45Å; E10-I14 PolarHBondContact O-N 3.04Å; K11-I14 PolarHBondContact O-N 3.08Å; V12-I14 PolarHBondContact O-N 2.78Å; I14-H16 PolarHBondContact O-N 3.18Å; I14-G17 PolarHBondContact O-N 2.96Å; I14-I18 HydrophobicContact CG2-CD1 3.55Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 WeakPolarHBondContact O-CB 3.27Å; I14-I18 WeakPolarHBondContact O-CD1 3.33Å; I14-I18 VanDerWaalsContact O-CG1 3.27Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3.4Å; I14-Q217 HydrophobicContact CD1-CB 4.2Å; I14-E218 HydrophobicContact CG2-CG 3.99Å |
| 15 | L | 90.4 | Very high | 87.7 | Confident | 70 Ų | 70 | 85.3 Ų | 85.3 | 37% | 0.366 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 176.9 | -105.3 | 160.2 | 0 | 0 | 0 | 112.8 | K11 V12 Y13 R19 I206 | K11-L15 WeakPolarHBondContact O-CB 3.41Å; K11-L15 PolarHBondContact O-N 2.81Å; V12-L15 PolarHBondContact O-N 3.39Å; Y13-L15 PolarHBondContact O-N 3.49Å; L15-R19 PolarHBondContact O-N 3.49Å; L15-I206 HydrophobicContact CD2-CG2 4Å; L15-I206 HydrophobicContact CG-CG2 4.04Å |
| 16 | H | 91.3 | Very high | 88.4 | Confident | 102 Ų | 102 | 79.8 Ų | 79.8 | 47% | 0.472 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.5 | -44.1 | 177 | -78.1 | -71.3 | 0 | 0 | 0 | 111.6 | V12 Y13 I14 I18 R19 D20 | V12-H16 VanDerWaalsContact CG1-CD2 3.48Å; V12-H16 WeakPolarHBondContact CG1-CD2 3.49Å; V12-H16 PolarHBondContact O-CD2 3.35Å; V12-H16 PolarHBondContact O-N 3.3Å; Y13-H16 PolarHBondContact O-N 3.06Å; I14-H16 PolarHBondContact O-N 3.18Å; H16-I18 VanDerWaalsContact C-N 3.34Å; H16-I18 PolarHBondContact O-N 2.86Å; H16-R19 WeakPolarHBondContact O-CB 3.31Å; H16-R19 PolarHBondContact O-N 2.95Å; H16-D20 PolarHBondContact O-N 3.03Å; H16-D20 VanDerWaalsContact O-N 3.08Å |
| 17 | G | 90.3 | Very high | 88.7 | Confident | 16 Ų | 16 | 80.8 Ų | 80.8 | 17% | 0.165 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -55.2 | -49 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y13 I14 R19 D20 D21 L22 | Y13-G17 PolarHBondContact O-N 3.38Å; I14-G17 PolarHBondContact O-N 2.96Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 3.35Å; G17-D20 CarbonylContact O-C 3.58Å; G17-D20 WeakPolarHBondContact O-CA 3.37Å; G17-D20 PolarHBondContact O-N 2.73Å; G17-D21 PolarHBondContact O-N 3.2Å; G17-D21 VanDerWaalsContact O-N 3.1Å; G17-L22 CarbonylContact C-O 3.38Å; G17-L22 VanDerWaalsContact CA-O 3.28Å; G17-L22 WeakPolarHBondContact CA-O 3.48Å; G17-L22 PolarHBondContact O-N 2.94Å; G17-L22 VanDerWaalsContact O-O 3.05Å |
| 18 | I | 89.3 | Confident | 88.5 | Confident | 3 Ų | 3 | 78.8 Ų | 78.8 | 2% | 0.015 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.1 | -31.9 | 178.5 | -68.6 | 163.6 | 0 | 0 | 0 | 112 | I14 H16 D20 D21 I206 R209 V211 | I14-I18 HydrophobicContact CG2-CD1 3.55Å; I14-I18 HydrophobicContact CG2-CG1 4.41Å; I14-I18 WeakPolarHBondContact O-CB 3.27Å; I14-I18 WeakPolarHBondContact O-CD1 3.33Å; I14-I18 VanDerWaalsContact O-CG1 3.27Å; I14-I18 WeakPolarHBondContact O-CG1 3.31Å; I14-I18 PolarHBondContact O-N 3.4Å; H16-I18 VanDerWaalsContact C-N 3.34Å; H16-I18 PolarHBondContact O-N 2.86Å; I18-D20 VanDerWaalsContact C-N 3.29Å; I18-D20 PolarHBondContact O-N 3.38Å; I18-D21 PolarHBondContact O-N 3.29Å; I18-I206 HydrophobicContact CD1-CB 3.85Å; I18-I206 HydrophobicContact CD1-CD1 3.44Å; I18-I206 VanDerWaalsContact CD1-CD1 3.44Å; I18-I206 HydrophobicContact CD1-CG1 4.22Å; I18-I206 HydrophobicContact CD1-CG2 3.56Å; I18-R209 HydrophobicContact CG2-CB 3.82Å; I18-R209 HydrophobicContact CG2-CG 4.31Å; I18-V211 HydrophobicContact CD1-CG2 4.08Å; I18-V211 HydrophobicContact CG1-CG2 4.16Å; I18-V211 HydrophobicContact CG2-CG2 3.63Å |
| 19 | R | 88.6 | Confident | 88.5 | Confident | 199 Ų | 199 | 71.1 Ų | 71.1 | 75% | 0.751 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -65.9 | -34.7 | 174.7 | -175.3 | 179.9 | 178.1 | 174.3 | -0.8 | 111.9 | L15 H16 G17 D21 | L15-R19 PolarHBondContact O-N 3.49Å; H16-R19 WeakPolarHBondContact O-CB 3.31Å; H16-R19 PolarHBondContact O-N 2.95Å; G17-R19 VanDerWaalsContact C-N 3.26Å; G17-R19 PolarHBondContact O-N 3.35Å; R19-D21 VanDerWaalsContact C-N 3.3Å |
| 20 | D | 88.8 | Confident | 88.2 | Confident | 114 Ų | 114 | 71.2 Ų | 71.2 | 61% | 0.61 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 9.8 | 175.7 | -71.1 | -72.8 | 0 | 0 | 0 | 113.1 | H16 G17 I18 L22 | H16-D20 PolarHBondContact O-N 3.03Å; H16-D20 VanDerWaalsContact O-N 3.08Å; G17-D20 CarbonylContact O-C 3.58Å; G17-D20 WeakPolarHBondContact O-CA 3.37Å; G17-D20 PolarHBondContact O-N 2.73Å; I18-D20 VanDerWaalsContact C-N 3.29Å; I18-D20 PolarHBondContact O-N 3.38Å; D20-L22 PolarHBondContact O-N 3.48Å |
| 21 | D | 85.6 | Confident | 88.1 | Confident | 66 Ų | 66 | 71.1 Ų | 71.1 | 35% | 0.353 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 29.3 | -177.5 | -141.1 | -99.3 | 0 | 0 | 0 | 114.2 | G17 I18 R19 C29 | G17-D21 PolarHBondContact O-N 3.2Å; G17-D21 VanDerWaalsContact O-N 3.1Å; I18-D21 PolarHBondContact O-N 3.29Å; R19-D21 VanDerWaalsContact C-N 3.3Å; D21-C29 PolarHBondContact OD2-SG 2.82Å |
| 22 | L | 87.3 | Confident | 87.9 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 59% | 0.586 | 36% | 0.36 | S | S | * | . | trans | -117.9 | 120 | 179.5 | -67.8 | 172 | 0 | 0 | 0 | 110.8 | G17 D20 | G17-L22 CarbonylContact C-O 3.38Å; G17-L22 VanDerWaalsContact CA-O 3.28Å; G17-L22 WeakPolarHBondContact CA-O 3.48Å; G17-L22 PolarHBondContact O-N 2.94Å; G17-L22 VanDerWaalsContact O-O 3.05Å; D20-L22 PolarHBondContact O-N 3.48Å | ||
| 23 | R | 87.9 | Confident | 87.8 | Confident | 15 Ų | 15 | 67.8 Ų | 67.8 | 6% | 0.057 | 34% | 0.344 | C | S | . | . | trans | -97.7 | 164.9 | 172.6 | -63.7 | 175.3 | 68.9 | -177.1 | 2.4 | 111.4 | D25 G26 R27 G28 V212 D213 E218 | R23-D25 PolarHBondContact O-N 2.91Å; R23-D25 VanDerWaalsContact O-N 3.16Å; R23-G26 PolarHBondContact O-N 3.45Å; R23-R27 WeakPolarHBondContact CB-O 3.4Å; R23-R27 WeakPolarHBondContact CG-O 3.32Å; R23-R27 PolarHBondContact N-O 3.01Å; R23-G28 VanDerWaalsContact CD-O 3.32Å; R23-G28 WeakPolarHBondContact CD-O 3.34Å; R23-V212 PolarHBondContact NH1-O 3.05Å; R23-D213 PolarHBondContact NH2-O 3.25Å; R23-E218 IonicContact CZ-OE1 3.89Å; R23-E218 IonicContact CZ-OE2 2.73Å; R23-E218 IonicContact NE-OE1 3Å; R23-E218 PolarHBondContact NE-OE1 3.15Å; R23-E218 IonicContact NE-OE2 2.81Å; R23-E218 IonicContact NH2-OE1 3.94Å; R23-E218 PolarHBondContact NH2-OE1 3.32Å; R23-E218 IonicContact NH2-OE2 3.73Å; R23-E218 PolarHBondContact NH2-OE2 3.43Å | ||
| 24 | V | 85.8 | Confident | 87.6 | Confident | 79 Ų | 79 | 67.2 Ų | 67.2 | 48% | 0.479 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56 | -31.5 | 176.4 | -64.9 | 0 | 0 | 0 | 0 | 112.8 | Y13 | Y13-V24 HydrophobicContact CE1-CG1 4.38Š|
| 25 | D | 83.3 | Confident | 87.4 | Confident | 93 Ų | 93 | 68.3 Ų | 68.3 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -0.6 | 178.4 | -54.9 | -51.8 | 0 | 0 | 0 | 113.6 | R23 R27 | R23-D25 PolarHBondContact O-N 2.91Å; R23-D25 VanDerWaalsContact O-N 3.16Å; D25-R27 VanDerWaalsContact C-N 3.29Å; D25-R27 HydrophobicContact CB-CG 4.28Å; D25-R27 PolarHBondContact O-N 3.14Å; D25-R27 IonicContact OD2-CZ 3.6Å; D25-R27 IonicContact OD2-NE 3.57Å; D25-R27 IonicContact OD2-NH2 2.78Å; D25-R27 PolarHBondContact OD2-NH2 3.31Å |
| 26 | G | 84.2 | Confident | 87.4 | Confident | 63 Ų | 63 | 70.4 Ų | 70.4 | 65% | 0.649 | 36% | 0.36 | S | S | * | . | S | Bend | trans | 75.3 | 11.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R23 | R23-G26 PolarHBondContact O-N 3.45Š|
| 27 | R | 87.4 | Confident | 87.2 | Confident | 38 Ų | 38 | 66.3 Ų | 66.3 | 14% | 0.143 | 34% | 0.342 | C | S | . | . | trans | -86.1 | 154.9 | 175.8 | -65.7 | -176.6 | -72.8 | 146.9 | -7.4 | 111.9 | R23 D25 D31 R33 D213 | R23-R27 WeakPolarHBondContact CB-O 3.4Å; R23-R27 WeakPolarHBondContact CG-O 3.32Å; R23-R27 PolarHBondContact N-O 3.01Å; D25-R27 VanDerWaalsContact C-N 3.29Å; D25-R27 HydrophobicContact CB-CG 4.28Å; D25-R27 PolarHBondContact O-N 3.14Å; D25-R27 IonicContact OD2-CZ 3.6Å; D25-R27 IonicContact OD2-NE 3.57Å; D25-R27 IonicContact OD2-NH2 2.78Å; D25-R27 PolarHBondContact OD2-NH2 3.31Å; R27-D31 HydrophobicContact CB-CB 4.29Å; R27-D31 PolarHBondContact NH1-O 3.24Å; R27-R33 VanDerWaalsContact NH2-CG 3.28Å; R27-D213 IonicContact CZ-OD1 3.86Å; R27-D213 IonicContact NH1-OD1 3.05Å; R27-D213 PolarHBondContact NH1-OD1 3.35Å; R27-D213 IonicContact NH2-OD1 3.8Å | ||
| 28 | G | 87.3 | Confident | 87.1 | Confident | 13 Ų | 13 | 67 Ų | 67 | 13% | 0.134 | 34% | 0.341 | C | S | . | . | trans | -75.5 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113 | R23 E30 | R23-G28 VanDerWaalsContact CD-O 3.32Å; R23-G28 WeakPolarHBondContact CD-O 3.34Å; G28-E30 VanDerWaalsContact C-N 3.32Å; G28-E30 PolarHBondContact O-N 2.96Å | ||
| 29 | C | 85.6 | Confident | 86.9 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.02 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -22.1 | -178.3 | -67.5 | 0 | 0 | 0 | 0 | 114.4 | D21 V211 V212 | D21-C29 PolarHBondContact OD2-SG 2.82Å; C29-V211 HydrophobicContact CB-CG2 4.38Å; C29-V211 WeakPolarHBondContact O-CA 3.39Å; C29-V212 PolarHBondContact O-N 3Å |
| 30 | E | 86.6 | Confident | 86.7 | Confident | 79 Ų | 79 | 61 Ų | 61 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.7 | 3.1 | -176.5 | -67 | 179.3 | 88.5 | 0 | 0 | 113.3 | G28 T258 R261 | G28-E30 VanDerWaalsContact C-N 3.32Å; G28-E30 PolarHBondContact O-N 2.96Å; E30-T258 HydrophobicContact CG-CG2 4.04Å; E30-T258 WeakPolarHBondContact OE1-CG2 3.38Å; E30-R261 IonicContact OE1-NH1 2.67Å; E30-R261 PolarHBondContact OE1-NH1 3Å |
| 31 | D | 86.9 | Confident | 86.4 | Confident | 93 Ų | 93 | 56.8 Ų | 56.8 | 50% | 0.497 | 30% | 0.304 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 137.4 | -173.1 | -76.5 | -72 | 0 | 0 | 0 | 114.4 | R27 | R27-D31 HydrophobicContact CB-CB 4.29Å; R27-D31 PolarHBondContact NH1-O 3.24Å |
| 32 | Y | 87.1 | Confident | 86.5 | Confident | 52 Ų | 52 | 56 Ų | 56 | 20% | 0.204 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -85.7 | 158.2 | 174.4 | -84.4 | -93.5 | 0 | 0 | 0 | 113.4 | N147 D150 V212 D213 V262 L266 | Y32-N147 WeakPolarHBondContact CE1-ND2 2.95Å; Y32-D150 WeakPolarHBondContact CE1-OD2 3.44Å; Y32-D150 PolarHBondContact OH-OD2 3.38Å; Y32-V212 HydrophobicContact CD2-CG1 4.12Å; Y32-V212 HydrophobicContact CE1-CG1 4.26Å; Y32-V212 HydrophobicContact CE2-CB 4.48Å; Y32-V212 HydrophobicContact CE2-CG1 3.24Å; Y32-V212 WeakPolarHBondContact OH-CG1 3.48Å; Y32-D213 HydrophobicContact CD1-CB 3.89Å; Y32-D213 HydrophobicContact CE1-CB 4.02Å; Y32-D213 HydrophobicContact CG-CB 4.43Å; Y32-V262 HydrophobicContact CD2-CG1 4.41Å; Y32-V262 HydrophobicContact CE2-CG1 3.39Å; Y32-L266 HydrophobicContact CE1-CD1 4.34Å; Y32-L266 HydrophobicContact CE2-CD1 4.45Å |
| 33 | R | 88.9 | Confident | 86.2 | Confident | 35 Ų | 35 | 55.6 Ų | 55.6 | 13% | 0.132 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 160.5 | 162 | -66.4 | 178.6 | -127.4 | -175.6 | 14.3 | 110 | R27 M35 L53 D145 D213 | R27-R33 VanDerWaalsContact NH2-CG 3.28Å; R33-M35 PolarHBondContact O-N 2.69Å; R33-L53 HydrophobicContact CB-CD1 4.1Å; R33-D145 IonicContact CZ-OD1 2.67Å; R33-D145 IonicContact NH1-OD1 3.45Å; R33-D145 PolarHBondContact NH1-OD1 2.86Å; R33-D145 PolarHBondContact NH2-O 3.08Å; R33-D145 VanDerWaalsContact NH2-O 3.16Å; R33-D145 IonicContact NH2-OD1 2.97Å; R33-D213 WeakPolarHBondContact CG-OD1 3.32Å; R33-D213 IonicContact CZ-OD1 3.23Å; R33-D213 IonicContact NE-OD1 3.35Å; R33-D213 PolarHBondContact NE-OD1 2.96Å; R33-D213 IonicContact NH2-OD1 2.87Å |
| 34 | H | 86.7 | Confident | 86.1 | Confident | 151 Ų | 151 | 62.3 Ų | 62.3 | 70% | 0.699 | 35% | 0.345 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 129.8 | 167.8 | -168.9 | 64.8 | 0 | 0 | 0 | 109.7 | G54 | H34-G54 PolarHBondContact O-N 2.67Š|
| 35 | M | 87.1 | Confident | 86.2 | Confident | 39 Ų | 39 | 60.2 Ų | 60.2 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 122.9 | 179.9 | -169.6 | -178.3 | -108.6 | 0 | 0 | 108.6 | R33 V37 V51 T52 L53 A151 V154 | R33-M35 PolarHBondContact O-N 2.69Å; M35-V37 HydrophobicContact CG-CG2 4.23Å; M35-V37 HydrophobicContact SD-CG2 4.3Å; M35-V51 HydrophobicContact CE-CG1 3.69Å; M35-V51 HydrophobicContact CG-CG1 3.69Å; M35-V51 HydrophobicContact SD-CG1 3.83Å; M35-T52 WeakPolarHBondContact CA-O 3.37Å; M35-L53 HydrophobicContact CB-CD1 3.76Å; M35-L53 HydrophobicContact CE-CB 4.15Å; M35-L53 HydrophobicContact CE-CD1 3.9Å; M35-L53 HydrophobicContact CE-CD2 4.12Å; M35-L53 HydrophobicContact CE-CG 4.28Å; M35-L53 HydrophobicContact CG-CB 4.49Å; M35-L53 HydrophobicContact CG-CD1 4.02Å; M35-A151 HydrophobicContact CE-CB 4.49Å; M35-V154 HydrophobicContact CE-CB 4.03Å; M35-V154 HydrophobicContact CE-CG1 4.3Å; M35-V154 HydrophobicContact CE-CG2 3.91Å; M35-V154 HydrophobicContact SD-CB 4.06Å; M35-V154 HydrophobicContact SD-CG1 3.67Å; M35-V154 HydrophobicContact SD-CG2 4.04Å |
| 36 | E | 88.6 | Confident | 86.4 | Confident | 113 Ų | 113 | 58.4 Ų | 58.4 | 53% | 0.528 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 123.5 | 173.9 | -62.4 | 178.8 | 97.4 | 0 | 0 | 108.1 | V51 T52 | E36-V51 CarbonylContact O-C 2.97Å; E36-V51 WeakPolarHBondContact O-CA 3.43Å; E36-T52 PolarHBondContact N-O 2.8Å; E36-T52 PolarHBondContact O-N 3.29Å |
| 37 | V | 88.3 | Confident | 86.6 | Confident | 17 Ų | 17 | 55.4 Ų | 55.4 | 10% | 0.103 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 127.5 | 177.6 | -178 | 0 | 0 | 0 | 0 | 107.1 | M35 V51 V154 A158 L270 | M35-V37 HydrophobicContact CG-CG2 4.23Å; M35-V37 HydrophobicContact SD-CG2 4.3Å; V37-V51 HydrophobicContact CB-CG2 4.48Å; V37-V51 HydrophobicContact CG1-CG2 4.14Å; V37-V51 HydrophobicContact CG2-CG1 4.43Å; V37-V51 HydrophobicContact CG2-CG2 4.1Å; V37-V154 HydrophobicContact CG2-CG1 4.08Å; V37-A158 HydrophobicContact CG1-CB 3.79Å; V37-L270 HydrophobicContact CG2-CD1 4.09Å |
| 38 | E | 87.3 | Confident | 86.7 | Confident | 29 Ų | 29 | 53.6 Ų | 53.6 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 120.3 | 175.1 | -57.8 | -173.2 | 92.7 | 0 | 0 | 108.3 | V41 A49 K50 | E38-V41 HydrophobicContact CB-CG2 4.09Å; E38-A49 CarbonylContact O-C 3.56Å; E38-A49 VanDerWaalsContact O-CA 3.3Å; E38-A49 WeakPolarHBondContact O-CA 3.15Å; E38-K50 HydrophobicContact CB-CB 4.43Å; E38-K50 PolarHBondContact N-O 3Å; E38-K50 PolarHBondContact O-N 3.31Å; E38-K50 IonicContact OE2-NZ 2.6Å; E38-K50 PolarHBondContact OE2-NZ 3.44Å |
| 39 | T | 85.9 | Confident | 87 | Confident | 34 Ų | 34 | 53 Ų | 53 | 21% | 0.209 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 157.5 | 172.8 | 52.6 | 0 | 0 | 0 | 0 | 111.5 | A158 L274 E277 | T39-A158 HydrophobicContact CG2-CB 4.25Å; T39-L274 HydrophobicContact CG2-CD2 3.5Å; T39-E277 WeakPolarHBondContact CB-OE2 3.38Å; T39-E277 WeakPolarHBondContact CG2-OE2 3.48Å; T39-E277 PolarHBondContact N-OE2 2.83Å; T39-E277 PolarHBondContact OG1-OE2 2.87Å |
| 40 | D | 84.4 | Confident | 87.2 | Confident | 42 Ų | 42 | 54 Ų | 54 | 23% | 0.225 | 28% | 0.283 | C | S | . | . | trans | 63.7 | 44 | 171.3 | -150.9 | -116.1 | 0 | 0 | 0 | 114.9 | S48 N162 K286 | D40-S48 WeakPolarHBondContact CA-OG 3.45Å; D40-S48 PolarHBondContact N-O 2.88Å; D40-N162 WeakPolarHBondContact CB-ND2 3.41Å; D40-N162 PolarHBondContact N-ND2 3.11Å; D40-N162 PolarHBondContact OD2-ND2 2.9Å; D40-K286 VanDerWaalsContact OD1-CE 3.3Å; D40-K286 WeakPolarHBondContact OD1-CE 3.23Å; D40-K286 IonicContact OD1-NZ 3.83Å; D40-K286 PolarHBondContact OD1-NZ 2.66Å | ||
| 41 | V | 83.4 | Confident | 87.5 | Confident | 27 Ų | 27 | 50.3 Ų | 50.3 | 16% | 0.164 | 27% | 0.265 | C | S | . | . | trans | -77.7 | -40.1 | -178.9 | 177.6 | 0 | 0 | 0 | 0 | 112.4 | E38 S48 K50 L59 F289 | E38-V41 HydrophobicContact CB-CG2 4.09Å; V41-S48 PolarHBondContact N-OG 3.04Å; V41-K50 HydrophobicContact CG2-CB 3.72Å; V41-L59 HydrophobicContact CB-CD1 4.2Å; V41-L59 HydrophobicContact CG1-CD1 4.08Å; V41-F289 HydrophobicContact CG1-CD2 4.09Å; V41-F289 HydrophobicContact CG1-CE2 3.39Å; V41-F289 HydrophobicContact CG1-CZ 4.07Å | ||
| 42 | V | 85.8 | Confident | 87.6 | Confident | 48 Ų | 48 | 47 Ų | 47 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | trans | -107.1 | 125.5 | -178.1 | -177.9 | 0 | 0 | 0 | 0 | 109 | N44 T45 S48 L59 | V42-N44 HydrophobicContact CG1-CB 4.47Å; V42-T45 HydrophobicContact CG1-CG2 4.15Å; V42-T45 PolarHBondContact O-OG1 2.83Å; V42-S48 PolarHBondContact N-OG 2.97Å; V42-S48 PolarHBondContact O-OG 2.82Å; V42-L59 HydrophobicContact CG2-CD1 4.35Å; V42-L59 HydrophobicContact CG2-CD2 4.24Å | ||
| 43 | S | 82.3 | Confident | 87.7 | Confident | 105 Ų | 105 | 44.6 Ų | 44.6 | 73% | 0.734 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -86.5 | -16.1 | -175.4 | -51.2 | 0 | 0 | 0 | 0 | 114.5 | T45 | S43-T45 VanDerWaalsContact C-N 3.33Š|
| 44 | N | 86.6 | Confident | 87.5 | Confident | 156 Ų | 156 | 44.6 Ų | 44.6 | 83% | 0.834 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -84.9 | -8.4 | -177.7 | -164.7 | 51.1 | 0 | 0 | 0 | 113.5 | V42 | V42-N44 HydrophobicContact CG1-CB 4.47Š|
| 45 | T | 86.4 | Confident | 87.5 | Confident | 35 Ų | 35 | 43.7 Ų | 43.7 | 22% | 0.215 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -108.9 | 146 | -176.9 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | V42 S43 G47 I62 | V42-T45 HydrophobicContact CG1-CG2 4.15Å; V42-T45 PolarHBondContact O-OG1 2.83Å; S43-T45 VanDerWaalsContact C-N 3.33Å; T45-G47 PolarHBondContact O-N 3.42Å; T45-G47 PolarHBondContact OG1-O 2.78Å; T45-I62 WeakPolarHBondContact CB-O 3.35Å |
| 46 | D | 87 | Confident | 87.5 | Confident | 54 Ų | 54 | 41.9 Ų | 41.9 | 29% | 0.289 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -64 | -26.3 | 179.4 | -57.3 | -72.4 | 0 | 0 | 0 | 113.1 | I62 K63 A64 T163 K164 | D46-I62 PolarHBondContact N-O 2.83Å; D46-I62 VanDerWaalsContact N-O 3.07Å; D46-K63 WeakPolarHBondContact OD2-CA 3.45Å; D46-A64 PolarHBondContact OD2-N 3.26Å; D46-T163 HydrophobicContact CB-CG2 4.34Å; D46-T163 WeakPolarHBondContact O-CA 3.31Å; D46-K164 PolarHBondContact O-N 2.89Å; D46-K164 VanDerWaalsContact O-N 3.13Å |
| 47 | G | 88.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 142.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | T45 G61 I62 | T45-G47 PolarHBondContact O-N 3.42Å; T45-G47 PolarHBondContact OG1-O 2.78Å; G47-G61 CarbonylContact O-C 3.6Å; G47-I62 PolarHBondContact N-O 2.82Å; G47-I62 VanDerWaalsContact N-O 3.17Å; G47-I62 PolarHBondContact O-N 2.9Å |
| 48 | S | 91.3 | Very high | 87.8 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 150.4 | 171.5 | 57.8 | 0 | 0 | 0 | 0 | 111 | D40 V41 V42 V60 | D40-S48 WeakPolarHBondContact CA-OG 3.45Å; D40-S48 PolarHBondContact N-O 2.88Å; V41-S48 PolarHBondContact N-OG 3.04Å; V42-S48 PolarHBondContact N-OG 2.97Å; V42-S48 PolarHBondContact O-OG 2.82Å; S48-V60 CarbonylContact C-O 3.58Å; S48-V60 VanDerWaalsContact CA-O 3.25Å; S48-V60 WeakPolarHBondContact CA-O 3.43Å |
| 49 | A | 91.8 | Very high | 88 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 147.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | E38 V60 A158 A159 | E38-A49 CarbonylContact O-C 3.56Å; E38-A49 VanDerWaalsContact O-CA 3.3Å; E38-A49 WeakPolarHBondContact O-CA 3.15Å; A49-V60 PolarHBondContact N-O 2.96Å; A49-V60 PolarHBondContact O-N 3.16Å; A49-A158 HydrophobicContact CB-CB 3.69Å; A49-A159 HydrophobicContact CB-CB 3.88Å |
| 50 | K | 91.6 | Very high | 88.4 | Confident | 26 Ų | 26 | 34.1 Ų | 34.1 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 135.9 | 170.7 | 177.5 | -177.6 | 156.7 | -143.1 | 0 | 108.1 | E38 V41 V58 L59 G288 F289 | E38-K50 HydrophobicContact CB-CB 4.43Å; E38-K50 PolarHBondContact N-O 3Å; E38-K50 PolarHBondContact O-N 3.31Å; E38-K50 IonicContact OE2-NZ 2.6Å; E38-K50 PolarHBondContact OE2-NZ 3.44Å; V41-K50 HydrophobicContact CG2-CB 3.72Å; K50-V58 CarbonylContact C-O 3.57Å; K50-V58 WeakPolarHBondContact CA-O 3.49Å; K50-L59 HydrophobicContact CB-CD1 3.95Å; K50-G288 PolarHBondContact NZ-O 3.01Å; K50-F289 HydrophobicContact CD-CE1 4.3Å; K50-F289 HydrophobicContact CD-CZ 4.36Å |
| 51 | V | 91.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 127.7 | 176.4 | 177.6 | 0 | 0 | 0 | 0 | 108.5 | M35 E36 V37 A57 V58 V154 A155 | M35-V51 HydrophobicContact CE-CG1 3.69Å; M35-V51 HydrophobicContact CG-CG1 3.69Å; M35-V51 HydrophobicContact SD-CG1 3.83Å; E36-V51 CarbonylContact O-C 2.97Å; E36-V51 WeakPolarHBondContact O-CA 3.43Å; V37-V51 HydrophobicContact CB-CG2 4.48Å; V37-V51 HydrophobicContact CG1-CG2 4.14Å; V37-V51 HydrophobicContact CG2-CG1 4.43Å; V37-V51 HydrophobicContact CG2-CG2 4.1Å; V51-A57 WeakPolarHBondContact O-CA 3.17Å; V51-V58 PolarHBondContact N-O 3.37Å; V51-V58 PolarHBondContact O-N 2.89Å; V51-V154 HydrophobicContact CG2-CG1 4.23Å; V51-A155 HydrophobicContact CB-CB 4.07Å; V51-A155 HydrophobicContact CG2-CB 3.55Å |
| 52 | T | 90.5 | Very high | 89.4 | Confident | 24 Ų | 24 | 31.4 Ų | 31.4 | 15% | 0.147 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 112.6 | 173.9 | -47.6 | 0 | 0 | 0 | 0 | 107.8 | M35 E36 T56 | M35-T52 WeakPolarHBondContact CA-O 3.37Å; E36-T52 PolarHBondContact N-O 2.8Å; E36-T52 PolarHBondContact O-N 3.29Å; T52-T56 CarbonylContact C-O 3.6Å; T52-T56 WeakPolarHBondContact CA-O 3.48Å |
| 53 | L | 88.1 | Confident | 89.7 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 94.6 | 175.4 | -177.8 | 69.2 | 0 | 0 | 0 | 108.2 | R33 M35 H55 T56 N147 A151 | R33-L53 HydrophobicContact CB-CD1 4.1Å; M35-L53 HydrophobicContact CB-CD1 3.76Å; M35-L53 HydrophobicContact CE-CB 4.15Å; M35-L53 HydrophobicContact CE-CD1 3.9Å; M35-L53 HydrophobicContact CE-CD2 4.12Å; M35-L53 HydrophobicContact CE-CG 4.28Å; M35-L53 HydrophobicContact CG-CB 4.49Å; M35-L53 HydrophobicContact CG-CD1 4.02Å; L53-H55 PolarHBondContact O-N 3.2Å; L53-T56 PolarHBondContact N-O 3.27Å; L53-T56 PolarHBondContact O-N 3.28Å; L53-N147 HydrophobicContact CD2-CB 4.12Å; L53-A151 HydrophobicContact CB-CB 4.46Å; L53-A151 HydrophobicContact CD2-CB 4.49Å |
| 54 | G | 85.7 | Confident | 90 | Very high | 35 Ų | 35 | 29.2 Ų | 29.2 | 36% | 0.361 | 16% | 0.162 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | -110 | -171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | H34 | H34-G54 PolarHBondContact O-N 2.67Š|
| 55 | H | 85.2 | Confident | 90.1 | Very high | 131 Ų | 131 | 25.5 Ų | 25.5 | 61% | 0.606 | 14% | 0.14 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.4 | 8.9 | 178.2 | -61.7 | -73.4 | 0 | 0 | 0 | 113.7 | L53 Q143 D145 | L53-H55 PolarHBondContact O-N 3.2Å; H55-Q143 WeakPolarHBondContact O-CB 3.43Å; H55-D145 HydrophobicContact CB-CB 3.48Å; H55-D145 VanDerWaalsContact CB-CB 3.48Å |
| 56 | T | 87.9 | Confident | 90.2 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 119.3 | 172 | -66.9 | 0 | 0 | 0 | 0 | 108.9 | T52 L53 V58 D145 G146 L148 A151 | T52-T56 CarbonylContact C-O 3.6Å; T52-T56 WeakPolarHBondContact CA-O 3.48Å; L53-T56 PolarHBondContact N-O 3.27Å; L53-T56 PolarHBondContact O-N 3.28Å; T56-V58 HydrophobicContact CG2-CG2 4.2Å; T56-D145 WeakPolarHBondContact OG1-CA 3.45Å; T56-D145 PolarHBondContact OG1-N 2.79Å; T56-G146 PolarHBondContact OG1-O 3.24Å; T56-L148 HydrophobicContact CG2-CD2 3.79Å; T56-A151 HydrophobicContact CG2-CB 4.15Å |
| 57 | A | 90.5 | Very high | 90.1 | Very high | 7 Ų | 7 | 25.2 Ų | 25.2 | 6% | 0.058 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 126.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | V51 L142 Q143 | V51-A57 WeakPolarHBondContact O-CA 3.17Å; A57-L142 HydrophobicContact CB-CB 4.03Å; A57-L142 HydrophobicContact CB-CD1 4.48Å; A57-L142 WeakPolarHBondContact O-CB 2.94Å; A57-L142 PolarHBondContact O-N 3.03Å; A57-Q143 HydrophobicContact CB-CB 4.15Å; A57-Q143 HydrophobicContact CB-CG 4.36Å; A57-Q143 PolarHBondContact N-O 2.86Å; A57-Q143 PolarHBondContact O-N 3.37Å; A57-Q143 VanDerWaalsContact O-N 3.16Å |
| 58 | V | 92.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 132.7 | -179.3 | -177 | 0 | 0 | 0 | 0 | 108.9 | K50 V51 T56 V60 V139 L141 A151 I152 A155 | K50-V58 CarbonylContact C-O 3.57Å; K50-V58 WeakPolarHBondContact CA-O 3.49Å; V51-V58 PolarHBondContact N-O 3.37Å; V51-V58 PolarHBondContact O-N 2.89Å; T56-V58 HydrophobicContact CG2-CG2 4.2Å; V58-V60 HydrophobicContact CG1-CG2 4.1Å; V58-V139 HydrophobicContact CG1-CG1 3.68Å; V58-L141 HydrophobicContact CB-CD2 4.5Å; V58-L141 HydrophobicContact CG1-CD2 4.13Å; V58-L141 HydrophobicContact CG2-CD2 3.76Å; V58-A151 HydrophobicContact CG2-CB 3.97Å; V58-I152 HydrophobicContact CG1-CG1 4.07Å; V58-I152 HydrophobicContact CG2-CG1 4.24Å; V58-A155 HydrophobicContact CG1-CB 4.32Å |
| 59 | L | 92.9 | Very high | 89.5 | Confident | 23 Ų | 23 | 33.7 Ų | 33.7 | 12% | 0.12 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 133.3 | 171.4 | -178.9 | 69.1 | 0 | 0 | 0 | 108.6 | V41 V42 K50 L140 L142 | V41-L59 HydrophobicContact CB-CD1 4.2Å; V41-L59 HydrophobicContact CG1-CD1 4.08Å; V42-L59 HydrophobicContact CG2-CD1 4.35Å; V42-L59 HydrophobicContact CG2-CD2 4.24Å; K50-L59 HydrophobicContact CB-CD1 3.95Å; L59-L140 HydrophobicContact CB-CB 4.35Å; L59-L140 HydrophobicContact CD2-CD2 4.31Å; L59-L140 PolarHBondContact N-O 2.93Å; L59-L140 PolarHBondContact O-N 3.06Å; L59-L142 HydrophobicContact CB-CD1 4.27Å |
| 60 | V | 94.1 | Very high | 89 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.2 | 175.9 | 179 | 0 | 0 | 0 | 0 | 109.3 | S48 A49 V58 I62 V137 D138 V139 A155 I156 A159 | S48-V60 CarbonylContact C-O 3.58Å; S48-V60 VanDerWaalsContact CA-O 3.25Å; S48-V60 WeakPolarHBondContact CA-O 3.43Å; A49-V60 PolarHBondContact N-O 2.96Å; A49-V60 PolarHBondContact O-N 3.16Å; V58-V60 HydrophobicContact CG1-CG2 4.1Å; V60-I62 HydrophobicContact CG1-CG1 4.36Å; V60-V137 HydrophobicContact CG1-CG1 3.82Å; V60-D138 CarbonylContact C-O 3.55Å; V60-D138 VanDerWaalsContact CA-O 3.31Å; V60-D138 WeakPolarHBondContact CA-O 3.48Å; V60-V139 HydrophobicContact CG2-CB 4.39Å; V60-V139 HydrophobicContact CG2-CG1 4.16Å; V60-V139 HydrophobicContact CG2-CG2 4.07Å; V60-A155 HydrophobicContact CB-CB 4.25Å; V60-A155 HydrophobicContact CG2-CB 3.44Å; V60-A155 VanDerWaalsContact CG2-CB 3.44Å; V60-I156 HydrophobicContact CG1-CG1 4.18Å; V60-I156 HydrophobicContact CG2-CG1 4.27Å; V60-A159 HydrophobicContact CB-CB 4.22Å; V60-A159 HydrophobicContact CG1-CB 3.83Å |
| 61 | G | 93.7 | Very high | 88.1 | Confident | 12 Ų | 12 | 44.4 Ų | 44.4 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 141.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | G47 D138 | G47-G61 CarbonylContact O-C 3.6Å; G61-D138 PolarHBondContact N-O 2.84Å; G61-D138 PolarHBondContact O-N 3.44Å |
| 62 | I | 93.4 | Very high | 87.3 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 125.5 | 174.7 | -58.2 | -177.9 | 0 | 0 | 0 | 107.8 | T45 D46 G47 V60 L135 Y136 V137 A159 L160 T163 | T45-I62 WeakPolarHBondContact CB-O 3.35Å; D46-I62 PolarHBondContact N-O 2.83Å; D46-I62 VanDerWaalsContact N-O 3.07Å; G47-I62 PolarHBondContact N-O 2.82Å; G47-I62 VanDerWaalsContact N-O 3.17Å; G47-I62 PolarHBondContact O-N 2.9Å; V60-I62 HydrophobicContact CG1-CG1 4.36Å; I62-L135 HydrophobicContact CG2-CB 4.45Å; I62-Y136 CarbonylContact C-O 3.59Å; I62-Y136 VanDerWaalsContact CA-O 3.29Å; I62-Y136 WeakPolarHBondContact CA-O 3.36Å; I62-V137 HydrophobicContact CD1-CG2 4.38Å; I62-V137 HydrophobicContact CG1-CG1 4.3Å; I62-V137 HydrophobicContact CG1-CG2 4.17Å; I62-A159 HydrophobicContact CD1-CB 3.52Å; I62-A159 HydrophobicContact CG1-CB 3.89Å; I62-L160 HydrophobicContact CD1-CB 4.32Å; I62-L160 HydrophobicContact CD1-CD2 3.69Å; I62-L160 HydrophobicContact CD1-CG 3.71Å; I62-T163 HydrophobicContact CG2-CG2 4.16Å |
| 63 | K | 92.3 | Very high | 86.7 | Confident | 95 Ų | 95 | 54.9 Ų | 54.9 | 41% | 0.413 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 129.1 | 174.5 | -167.4 | -175.3 | -176.6 | -160.9 | 0 | 109.6 | D46 E65 Y136 | D46-K63 WeakPolarHBondContact OD2-CA 3.45Å; K63-E65 HydrophobicContact CD-CG 4.25Å; K63-E65 WeakPolarHBondContact CE-OE1 3.13Å; K63-E65 HydrophobicContact CG-CG 4.33Å; K63-E65 IonicContact NZ-OE1 2.86Å; K63-E65 PolarHBondContact NZ-OE1 3.06Å; K63-Y136 PolarHBondContact N-O 3.05Å; K63-Y136 PolarHBondContact O-N 3.35Å |
| 64 | A | 89.6 | Confident | 86 | Confident | 13 Ų | 13 | 56.4 Ų | 56.4 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 122 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | D46 W133 L135 I165 | D46-A64 PolarHBondContact OD2-N 3.26Å; A64-W133 HydrophobicContact CB-CE3 3.85Å; A64-W133 HydrophobicContact CB-CZ3 3.87Å; A64-L135 HydrophobicContact CB-CD2 3.66Å; A64-I165 HydrophobicContact CB-CG1 4.38Å |
| 65 | E | 88.6 | Confident | 85.6 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 36% | 0.36 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 151.2 | 174.4 | -62.6 | -168.2 | 146.6 | 0 | 0 | 110.6 | K63 V134 Y136 | K63-E65 HydrophobicContact CD-CG 4.25Å; K63-E65 WeakPolarHBondContact CE-OE1 3.13Å; K63-E65 HydrophobicContact CG-CG 4.33Å; K63-E65 IonicContact NZ-OE1 2.86Å; K63-E65 PolarHBondContact NZ-OE1 3.06Å; E65-V134 PolarHBondContact N-O 3.3Å; E65-V134 PolarHBondContact O-N 2.97Å; E65-Y136 HydrophobicContact CB-CD2 4.25Å; E65-Y136 HydrophobicContact CB-CE2 4.01Å; E65-Y136 HydrophobicContact CG-CD2 4.06Å; E65-Y136 HydrophobicContact CG-CE2 4.16Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.02Å |
| 66 | I | 87.3 | Confident | 85.5 | Confident | 62 Ų | 62 | 56.2 Ų | 56.2 | 32% | 0.318 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.6 | 174.9 | -58 | 176.7 | 0 | 0 | 0 | 107.7 | I126 H131 W133 V168 I180 | I66-I126 HydrophobicContact CD1-CD1 4.2Å; I66-I126 HydrophobicContact CG1-CD1 4.09Å; I66-I126 HydrophobicContact CG2-CD1 3.91Å; I66-H131 HydrophobicContact CG2-CB 4.1Å; I66-W133 HydrophobicContact CD1-CH2 3.95Å; I66-W133 HydrophobicContact CD1-CZ2 4.16Å; I66-W133 HydrophobicContact CD1-CZ3 4.33Å; I66-W133 HydrophobicContact CG1-CD2 4.24Å; I66-W133 HydrophobicContact CG1-CE3 3.86Å; I66-W133 HydrophobicContact CG1-CH2 3.72Å; I66-W133 HydrophobicContact CG1-CZ2 4.09Å; I66-W133 HydrophobicContact CG1-CZ3 3.6Å; I66-V168 HydrophobicContact CD1-CG1 3.81Å; I66-I180 HydrophobicContact CD1-CD1 4.4Å; I66-I180 HydrophobicContact CD1-CG2 3.91Å; I66-I180 HydrophobicContact CG2-CD1 3.99Å |
| 67 | G | 85.1 | Confident | 85.3 | Confident | 22 Ų | 22 | 56.2 Ų | 56.2 | 23% | 0.227 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | -179.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | H131 C132 | G67-H131 WeakPolarHBondContact O-CA 3.47Å; G67-C132 PolarHBondContact N-O 3.42Å; G67-C132 PolarHBondContact O-N 3.16Å; G67-C132 VanDerWaalsContact O-O 3.11Å |
| 68 | K | 84.2 | Confident | 85.1 | Confident | 162 Ų | 162 | 58 Ų | 58 | 70% | 0.704 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -87.9 | 135.1 | 170.7 | -68.8 | -176.5 | 176.7 | -179.1 | 0 | 109.4 | ||
| 69 | P | 83.5 | Confident | 84.9 | Confident | 15 Ų | 15 | 58.8 Ų | 58.8 | 10% | 0.097 | 31% | 0.306 | C | S | . | . | P | Polyproline II helix | trans | -67.3 | 160.2 | 177.3 | 26.7 | -32.9 | 0 | 0 | 0 | 111.4 | C132 | P69-C132 WeakPolarHBondContact CA-SG 2.99Å; P69-C132 HydrophobicContact CB-CB 4Å; P69-C132 HydrophobicContact CG-CB 4.4Å |
| 70 | R | 80.7 | Confident | 84.7 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 45% | 0.445 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 136.9 | 175.5 | -66.9 | -178.7 | 179.9 | -174.7 | -0.7 | 109.5 | M72 V73 Y78 | R70-M72 PolarHBondContact O-N 2.97Å; R70-M72 VanDerWaalsContact O-N 3.07Å; R70-V73 HydrophobicContact CB-CG2 4.04Å; R70-V73 CarbonylContact O-C 3.24Å; R70-V73 VanDerWaalsContact O-C 3.24Å; R70-V73 PolarHBondContact O-N 3.19Å; R70-Y78 HydrophobicContact CG-CD1 4.18Å; R70-Y78 HydrophobicContact CG-CE1 4.27Å |
| 71 | P | 73.1 | Confident | 84.6 | Confident | 134 Ų | 134 | 60.9 Ų | 60.9 | 87% | 0.87 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.7 | -23.1 | -174.3 | 23.4 | -33.9 | 0 | 0 | 0 | 113.9 | ||
| 72 | M | 74.8 | Confident | 84.5 | Confident | 185 Ų | 185 | 66.2 Ų | 66.2 | 91% | 0.911 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.1 | -28.7 | 175.2 | -90.6 | -178.6 | 153.5 | 0 | 0 | 113.7 | R70 | R70-M72 PolarHBondContact O-N 2.97Å; R70-M72 VanDerWaalsContact O-N 3.07Å |
| 73 | V | 77.1 | Confident | 84.4 | Confident | 58 Ų | 58 | 66.6 Ų | 66.6 | 35% | 0.352 | 34% | 0.338 | S | S | . | . | trans | -137.7 | 74.7 | -173.5 | -72 | 0 | 0 | 0 | 0 | 109.3 | R70 N75 E76 | R70-V73 HydrophobicContact CB-CG2 4.04Å; R70-V73 CarbonylContact O-C 3.24Å; R70-V73 VanDerWaalsContact O-C 3.24Å; R70-V73 PolarHBondContact O-N 3.19Å; V73-N75 PolarHBondContact O-N 3.4Å; V73-N75 VanDerWaalsContact O-N 3.16Å; V73-E76 HydrophobicContact CB-CG 3.86Å; V73-E76 WeakPolarHBondContact CB-OE1 3.46Å; V73-E76 WeakPolarHBondContact CG1-OE1 3.35Å; V73-E76 HydrophobicContact CG2-CG 3.95Å; V73-E76 WeakPolarHBondContact CG2-OE1 3.37Å | ||
| 74 | A | 74 | Confident | 84.3 | Confident | 35 Ų | 35 | 65.9 Ų | 65.9 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -10.9 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P128 G129 | A74-P128 WeakPolarHBondContact O-CA 3.2Å; A74-G129 PolarHBondContact O-N 3.2Å |
| 75 | N | 78.2 | Confident | 84.1 | Confident | 112 Ų | 112 | 65.8 Ų | 65.8 | 60% | 0.599 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.5 | 1.8 | -169.9 | -68.1 | -21.5 | 0 | 0 | 0 | 114 | V73 C125 P128 | V73-N75 PolarHBondContact O-N 3.4Å; V73-N75 VanDerWaalsContact O-N 3.16Å; N75-C125 WeakPolarHBondContact O-CB 3.36Å; N75-P128 VanDerWaalsContact OD1-CB 3.23Å; N75-P128 WeakPolarHBondContact OD1-CB 3.34Å |
| 76 | E | 82.9 | Confident | 83.9 | Confident | 50 Ų | 50 | 63.4 Ų | 63.4 | 23% | 0.234 | 33% | 0.329 | C | S | . | . | trans | -133.8 | 143.7 | -177.6 | 64.6 | -171.6 | -175.8 | 0 | 0 | 111.3 | V73 L121 | V73-E76 HydrophobicContact CB-CG 3.86Å; V73-E76 WeakPolarHBondContact CB-OE1 3.46Å; V73-E76 WeakPolarHBondContact CG1-OE1 3.35Å; V73-E76 HydrophobicContact CG2-CG 3.95Å; V73-E76 WeakPolarHBondContact CG2-OE1 3.37Å; E76-L121 WeakPolarHBondContact CA-O 3.34Å; E76-L121 HydrophobicContact CB-CB 3.79Å | ||
| 77 | G | 83.5 | Confident | 83.5 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.01 | 33% | 0.33 | C | S | . | . | trans | -70.3 | 172.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | L121 W133 | G77-L121 PolarHBondContact N-O 2.9Å; G77-W133 WeakPolarHBondContact CA-O 3.37Å | ||
| 78 | Y | 85.5 | Confident | 83.2 | Confident | 45 Ų | 45 | 67.5 Ų | 67.5 | 18% | 0.176 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 157.5 | 175.2 | 64.1 | -87.7 | 0 | 0 | 0 | 111.6 | R70 E80 V134 L135 | R70-Y78 HydrophobicContact CG-CD1 4.18Å; R70-Y78 HydrophobicContact CG-CE1 4.27Å; Y78-E80 HydrophobicContact CD2-CG 3.77Å; Y78-E80 HydrophobicContact CE2-CG 3.52Å; Y78-V134 HydrophobicContact CD1-CG2 4.28Å; Y78-V134 HydrophobicContact CD2-CG1 4Å; Y78-V134 HydrophobicContact CE1-CG1 4.39Å; Y78-V134 HydrophobicContact CE1-CG2 3.61Å; Y78-V134 HydrophobicContact CE2-CB 4.5Å; Y78-V134 HydrophobicContact CE2-CG1 3.49Å; Y78-V134 VanDerWaalsContact CE2-CG1 3.49Å; Y78-V134 HydrophobicContact CE2-CG2 4.22Å; Y78-V134 WeakPolarHBondContact O-CA 3.43Å; Y78-L135 PolarHBondContact O-N 3.26Å; Y78-L135 VanDerWaalsContact O-N 3.14Å |
| 79 | L | 88.1 | Confident | 82.7 | Confident | 15 Ų | 15 | 60.6 Ų | 60.6 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 137.3 | 175.4 | -67.2 | 85.3 | 0 | 0 | 0 | 108.7 | F81 Y110 L119 L121 L135 V137 L160 | L79-F81 HydrophobicContact CB-CE2 3.85Å; L79-F81 HydrophobicContact CB-CZ 3.84Å; L79-F81 HydrophobicContact CD2-CE1 4.4Å; L79-F81 HydrophobicContact CD2-CZ 3.87Å; L79-F81 HydrophobicContact CG-CZ 4.49Å; L79-Y110 WeakPolarHBondContact O-CE1 3.28Å; L79-L119 HydrophobicContact CD1-CD1 3.72Å; L79-L119 HydrophobicContact CD2-CD1 3.62Å; L79-L119 HydrophobicContact CG-CD1 4.36Å; L79-L121 HydrophobicContact CD1-CD2 3.46Å; L79-L121 VanDerWaalsContact CD1-CD2 3.46Å; L79-L135 WeakPolarHBondContact CA-O 3.46Å; L79-L135 HydrophobicContact CG-CB 4.16Å; L79-L135 HydrophobicContact CG-CD1 4.38Å; L79-V137 HydrophobicContact CD2-CG2 4.29Å; L79-L160 HydrophobicContact CD2-CD2 4.44Å |
| 80 | E | 89.8 | Confident | 82.3 | Confident | 58 Ų | 58 | 60.7 Ų | 60.7 | 27% | 0.271 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 128.5 | 167.9 | -62.8 | -156.4 | 80.5 | 0 | 0 | 109.6 | Y78 Y110 V134 L135 Y136 V137 | Y78-E80 HydrophobicContact CD2-CG 3.77Å; Y78-E80 HydrophobicContact CE2-CG 3.52Å; E80-Y110 WeakPolarHBondContact CA-OH 3.44Å; E80-V134 HydrophobicContact CG-CG1 4.37Å; E80-L135 PolarHBondContact N-O 3.33Å; E80-Y136 HydrophobicContact CB-CD1 3.81Å; E80-Y136 HydrophobicContact CB-CE1 3.88Å; E80-Y136 HydrophobicContact CG-CD1 4.44Å; E80-Y136 HydrophobicContact CG-CE1 4.03Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.35Å; E80-Y136 PolarHBondContact OE2-OH 2.87Å; E80-Y136 VanDerWaalsContact OE2-OH 3.08Å; E80-V137 PolarHBondContact O-N 2.67Å |
| 81 | F | 91.9 | Very high | 82 | Confident | 9 Ų | 9 | 59.7 Ų | 59.7 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 117.2 | -179.5 | -61.5 | -80.7 | 0 | 0 | 0 | 110.1 | L79 S106 L109 Y110 F113 V137 I156 | L79-F81 HydrophobicContact CB-CE2 3.85Å; L79-F81 HydrophobicContact CB-CZ 3.84Å; L79-F81 HydrophobicContact CD2-CE1 4.4Å; L79-F81 HydrophobicContact CD2-CZ 3.87Å; L79-F81 HydrophobicContact CG-CZ 4.49Å; F81-S106 PolarHBondContact O-OG 3.25Å; F81-L109 HydrophobicContact CB-CB 4.27Å; F81-L109 HydrophobicContact CB-CD1 4.24Å; F81-L109 HydrophobicContact CD1-CB 4.15Å; F81-L109 HydrophobicContact CD1-CD1 4.15Å; F81-L109 HydrophobicContact CD2-CB 4.12Å; F81-L109 HydrophobicContact CG-CB 3.91Å; F81-L109 HydrophobicContact CG-CD1 4.33Å; F81-Y110 HydrophobicContact CB-CE2 4.34Å; F81-Y110 AromaticContact CD2-CD1 3.85Å; F81-Y110 HydrophobicContact CD2-CD1 3.85Å; F81-Y110 AromaticContact CD2-CE1 3.88Å; F81-Y110 HydrophobicContact CD2-CE1 3.88Å; F81-Y110 HydrophobicContact CD2-CG 4.18Å; F81-Y110 HydrophobicContact CE2-CD1 4.35Å; F81-Y110 PolarHBondContact N-OH 3.28Å; F81-Y110 VanDerWaalsContact N-OH 3.11Å; F81-F113 AromaticContact CE1-CD2 3.79Å; F81-F113 HydrophobicContact CE1-CD2 3.79Å; F81-F113 AromaticContact CE1-CE2 3.89Å; F81-F113 HydrophobicContact CE1-CE2 3.89Å; F81-F113 HydrophobicContact CE1-CG 4.45Å; F81-F113 HydrophobicContact CE2-CB 3.9Å; F81-F113 AromaticContact CE2-CD2 3.77Å; F81-F113 HydrophobicContact CE2-CD2 3.77Å; F81-F113 HydrophobicContact CE2-CG 4.06Å; F81-F113 HydrophobicContact CZ-CB 3.85Å; F81-F113 HydrophobicContact CZ-CD1 4.31Å; F81-F113 AromaticContact CZ-CD2 3.19Å; F81-F113 HydrophobicContact CZ-CD2 3.19Å; F81-F113 AromaticContact CZ-CE2 3.77Å; F81-F113 HydrophobicContact CZ-CE2 3.77Å; F81-F113 AromaticContact CZ-CG 3.53Å; F81-F113 HydrophobicContact CZ-CG 3.53Å; F81-V137 WeakPolarHBondContact CA-O 3.38Å; F81-V137 HydrophobicContact CD1-CB 3.68Å; F81-V137 HydrophobicContact CD1-CG1 3.9Å; F81-V137 HydrophobicContact CD1-CG2 4.15Å; F81-V137 HydrophobicContact CE1-CB 3.93Å; F81-V137 HydrophobicContact CE1-CG1 4.09Å; F81-V137 HydrophobicContact CE1-CG2 3.9Å; F81-I156 HydrophobicContact CD1-CD1 4.3Å; F81-I156 HydrophobicContact CE1-CD1 4.26Å; F81-I156 HydrophobicContact CE1-CG2 4.42Å |
| 82 | F | 91.9 | Very high | 82 | Confident | 124 Ų | 124 | 58.3 Ų | 58.3 | 54% | 0.544 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.9 | 169.3 | -171.4 | -107.2 | 0 | 0 | 0 | 109.3 | D84 V137 D138 V139 | F82-D84 HydrophobicContact CD1-CB 4.44Å; F82-D84 HydrophobicContact CE1-CB 3.91Å; F82-V137 PolarHBondContact N-O 2.96Å; F82-D138 WeakPolarHBondContact CB-OD1 3.29Å; F82-V139 PolarHBondContact O-N 2.98Å |
| 83 | V | 91.1 | Very high | 82 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 6% | 0.055 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 108.7 | 179.3 | -177.6 | 0 | 0 | 0 | 0 | 108.1 | L105 S106 L109 V139 | V83-L105 HydrophobicContact CB-CB 4.34Å; V83-L105 HydrophobicContact CG1-CB 4.12Å; V83-L105 HydrophobicContact CG1-CD1 3.84Å; V83-L105 HydrophobicContact CG2-CB 4Å; V83-S106 WeakPolarHBondContact CG2-OG 3.27Å; V83-L109 HydrophobicContact CG2-CD1 3.99Å; V83-V139 CarbonylContact C-O 3.59Å; V83-V139 WeakPolarHBondContact CA-O 3.44Å; V83-V139 HydrophobicContact CB-CB 4.47Å; V83-V139 HydrophobicContact CG1-CB 4.36Å; V83-V139 HydrophobicContact CG1-CG1 4.41Å; V83-V139 HydrophobicContact CG2-CB 4.1Å; V83-V139 HydrophobicContact CG2-CG2 4.31Å |
| 84 | D | 89.8 | Confident | 81.9 | Confident | 79 Ų | 79 | 54.1 Ų | 54.1 | 42% | 0.422 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 123.5 | 175 | -166.4 | 9 | 0 | 0 | 0 | 110.6 | F82 V139 L140 L141 | F82-D84 HydrophobicContact CD1-CB 4.44Å; F82-D84 HydrophobicContact CE1-CB 3.91Å; D84-V139 PolarHBondContact N-O 3.34Å; D84-L140 HydrophobicContact CB-CD1 3.98Å; D84-L141 PolarHBondContact O-N 3.49Å |
| 85 | C | 84.4 | Confident | 82.1 | Confident | 12 Ų | 12 | 56.4 Ų | 56.4 | 8% | 0.081 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 94.4 | 177.5 | -64.2 | 0 | 0 | 0 | 0 | 108.1 | F93 | C85-F93 HydrophobicContact CB-CD2 4.25Å; C85-F93 HydrophobicContact CB-CG 4.25Å |
| 86 | S | 84.1 | Confident | 82.1 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | trans | -61.9 | 141.9 | 179.4 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | N88 A89 L141 | S86-N88 PolarHBondContact O-N 3.36Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N88 PolarHBondContact OG-N 3.05Å; S86-A89 PolarHBondContact O-N 3.37Å; S86-L141 WeakPolarHBondContact CB-O 3.35Å; S86-L141 PolarHBondContact N-O 2.96Å | ||
| 87 | A | 80.6 | Confident | 81.8 | Confident | 41 Ų | 41 | 61 Ų | 61 | 34% | 0.339 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -19.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A89 T90 E94 | A87-A89 PolarHBondContact O-N 2.9Å; A87-T90 CarbonylContact O-C 3.54Å; A87-E94 HydrophobicContact CB-CG 3.83Å |
| 88 | N | 79 | Confident | 81.6 | Confident | 130 Ų | 130 | 61.3 Ų | 61.3 | 70% | 0.695 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -29.6 | 174.8 | -69.4 | -1.6 | 0 | 0 | 0 | 112.9 | S86 L142 | S86-N88 PolarHBondContact O-N 3.36Å; S86-N88 VanDerWaalsContact O-N 3.11Å; S86-N88 PolarHBondContact OG-N 3.05Å; N88-L142 CarbonylContact C-O 3.57Å |
| 89 | A | 73 | Confident | 81.6 | Confident | 16 Ų | 16 | 65.6 Ų | 65.6 | 13% | 0.132 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -47.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | S86 A87 F93 L142 C144 | S86-A89 PolarHBondContact O-N 3.37Å; A87-A89 PolarHBondContact O-N 2.9Å; A89-F93 HydrophobicContact CB-CD2 4.11Å; A89-F93 HydrophobicContact CB-CE2 4.11Å; A89-L142 WeakPolarHBondContact CA-O 3.48Å; A89-L142 PolarHBondContact N-O 3.3Å; A89-C144 HydrophobicContact CB-CB 4.13Å |
| 90 | T | 74.3 | Confident | 81.5 | Confident | 17 Ų | 17 | 72.7 Ų | 72.7 | 10% | 0.104 | 39% | 0.394 | C | S | . | . | trans | -149.6 | 143.3 | 167 | 58.4 | 0 | 0 | 0 | 0 | 110 | A2 A87 E92 F93 | A2-T90 HydrophobicContact CB-CG2 4.09Å; A87-T90 CarbonylContact O-C 3.54Å; T90-E92 PolarHBondContact O-N 3.11Å; T90-E92 VanDerWaalsContact O-N 3.11Å; T90-F93 HydrophobicContact CG2-CE2 4.34Å; T90-F93 WeakPolarHBondContact O-CB 3.29Å; T90-F93 PolarHBondContact O-N 2.79Å; T90-F93 WeakPolarHBondContact OG1-CD2 3.47Å; T90-F93 WeakPolarHBondContact OG1-CE2 3.43Å; T90-F93 WeakPolarHBondContact OG1-CG 3Å; T90-F93 WeakPolarHBondContact OG1-CZ 3.38Å | ||
| 91 | P | 75.7 | Confident | 81.3 | Confident | 97 Ų | 97 | 71.4 Ų | 71.4 | 63% | 0.63 | 39% | 0.389 | S | S | * | . | G | 310 helix | trans | -62.8 | -20.5 | -179.6 | 26 | -35.1 | 0 | 0 | 0 | 113.1 | F93 E94 | P91-F93 PolarHBondContact O-N 2.65Å; P91-E94 WeakPolarHBondContact O-CB 3.32Å; P91-E94 WeakPolarHBondContact O-CG 3.48Å; P91-E94 PolarHBondContact O-N 2.92Å; P91-E94 VanDerWaalsContact O-N 3.16Å |
| 92 | E | 72.8 | Confident | 81.1 | Confident | 106 Ų | 106 | 71.2 Ų | 71.2 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | G | 310 helix | trans | -70 | -10.9 | 174.5 | -73.8 | 175.1 | 74.8 | 0 | 0 | 114.1 | A2 T90 E94 | A2-E92 WeakPolarHBondContact CA-OE2 3.43Å; A2-E92 WeakPolarHBondContact CB-OE2 3.49Å; T90-E92 PolarHBondContact O-N 3.11Å; T90-E92 VanDerWaalsContact O-N 3.11Å; E92-E94 VanDerWaalsContact C-N 3.27Å |
| 93 | F | 73.8 | Confident | 81 | Confident | 16 Ų | 16 | 68.8 Ų | 68.8 | 7% | 0.07 | 39% | 0.385 | C | S | . | . | G | 310 helix | trans | -84.4 | -0.6 | 171.8 | -59.8 | -33.8 | 0 | 0 | 0 | 113.2 | C85 A89 T90 P91 G95 L101 | C85-F93 HydrophobicContact CB-CD2 4.25Å; C85-F93 HydrophobicContact CB-CG 4.25Å; A89-F93 HydrophobicContact CB-CD2 4.11Å; A89-F93 HydrophobicContact CB-CE2 4.11Å; T90-F93 HydrophobicContact CG2-CE2 4.34Å; T90-F93 WeakPolarHBondContact O-CB 3.29Å; T90-F93 PolarHBondContact O-N 2.79Å; T90-F93 WeakPolarHBondContact OG1-CD2 3.47Å; T90-F93 WeakPolarHBondContact OG1-CE2 3.43Å; T90-F93 WeakPolarHBondContact OG1-CG 3Å; T90-F93 WeakPolarHBondContact OG1-CZ 3.38Å; P91-F93 PolarHBondContact O-N 2.65Å; F93-G95 PolarHBondContact O-N 3.17Å; F93-L101 HydrophobicContact CD1-CD1 4.44Å; F93-L101 HydrophobicContact CE1-CD1 3.39Å; F93-L101 HydrophobicContact CZ-CD1 3.77Å |
| 94 | E | 74.5 | Confident | 80.9 | Confident | 139 Ų | 139 | 70.9 Ų | 70.9 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | 135.9 | 173.3 | -75.2 | -174.9 | 177.3 | 0 | 0 | 112.2 | A87 P91 E92 R96 | A87-E94 HydrophobicContact CB-CG 3.83Å; P91-E94 WeakPolarHBondContact O-CB 3.32Å; P91-E94 WeakPolarHBondContact O-CG 3.48Å; P91-E94 PolarHBondContact O-N 2.92Å; P91-E94 VanDerWaalsContact O-N 3.16Å; E92-E94 VanDerWaalsContact C-N 3.27Å; E94-R96 PolarHBondContact O-N 3.03Å |
| 95 | G | 79 | Confident | 80.9 | Confident | 82 Ų | 82 | 67.4 Ų | 67.4 | 85% | 0.845 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.5 | -116 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | F93 | F93-G95 PolarHBondContact O-N 3.17Š|
| 96 | R | 79.3 | Confident | 81.3 | Confident | 217 Ų | 217 | 67.5 Ų | 67.5 | 82% | 0.819 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | -0.2 | -175.5 | -67.5 | -173.3 | 175.8 | -179.2 | -2.3 | 113.9 | E94 G98 E99 | E94-R96 PolarHBondContact O-N 3.03Å; R96-G98 VanDerWaalsContact C-N 3.27Å; R96-G98 PolarHBondContact O-N 3.38Å; R96-E99 PolarHBondContact O-N 3.45Å |
| 97 | G | 75.9 | Confident | 81.5 | Confident | 42 Ų | 42 | 70.1 Ų | 70.1 | 43% | 0.433 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -27.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 98 | G | 79.4 | Confident | 82 | Confident | 8 Ų | 8 | 68.2 Ų | 68.2 | 8% | 0.082 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -16.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | R96 E100 L101 G102 | R96-G98 VanDerWaalsContact C-N 3.27Å; R96-G98 PolarHBondContact O-N 3.38Å; G98-E100 PolarHBondContact O-N 3.35Å; G98-L101 PolarHBondContact O-N 2.94Å; G98-G102 PolarHBondContact O-N 3.39Å |
| 99 | E | 85.3 | Confident | 82.4 | Confident | 135 Ų | 135 | 62.2 Ų | 62.2 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -66.6 | -36.9 | -169.3 | -169.8 | 176.6 | 90.9 | 0 | 0 | 112.8 | R96 G102 T103 | R96-E99 PolarHBondContact O-N 3.45Å; E99-G102 PolarHBondContact O-N 3.31Å; E99-T103 VanDerWaalsContact O-CB 3.3Å; E99-T103 WeakPolarHBondContact O-CB 3.49Å; E99-T103 PolarHBondContact O-N 3.16Å; E99-T103 PolarHBondContact O-OG1 3.47Å |
| 100 | E | 86.8 | Confident | 83.2 | Confident | 163 Ų | 163 | 65 Ų | 65 | 76% | 0.762 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -63.7 | -44.2 | 177.4 | -175.7 | 178.9 | 85.5 | 0 | 0 | 111.3 | G98 T103 E104 | G98-E100 PolarHBondContact O-N 3.35Å; E100-T103 PolarHBondContact O-N 3.03Å; E100-E104 PolarHBondContact O-N 2.99Å |
| 101 | L | 85.3 | Confident | 83.7 | Confident | 32 Ų | 32 | 69.6 Ų | 69.6 | 17% | 0.168 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -70.5 | -42.7 | 178.9 | -69.6 | 173.8 | 0 | 0 | 0 | 111.6 | F93 G98 T103 E104 L105 | F93-L101 HydrophobicContact CD1-CD1 4.44Å; F93-L101 HydrophobicContact CE1-CD1 3.39Å; F93-L101 HydrophobicContact CZ-CD1 3.77Å; G98-L101 PolarHBondContact O-N 2.94Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.41Å; L101-E104 PolarHBondContact O-N 3.42Å; L101-L105 WeakPolarHBondContact O-CB 3.34Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 2.93Å; L101-L105 PolarHBondContact O-N 2.82Å |
| 102 | G | 87.8 | Confident | 84.2 | Confident | 5 Ų | 5 | 65.1 Ų | 65.1 | 5% | 0.052 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.7 | -46.7 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | G98 E99 E104 L105 S106 | G98-G102 PolarHBondContact O-N 3.39Å; E99-G102 PolarHBondContact O-N 3.31Å; G102-E104 PolarHBondContact O-N 3.04Å; G102-L105 PolarHBondContact O-N 3.39Å; G102-S106 WeakPolarHBondContact O-CB 3.44Å; G102-S106 PolarHBondContact O-N 3.43Å; G102-S106 PolarHBondContact O-OG 2.88Å |
| 103 | T | 89.4 | Confident | 84.6 | Confident | 73 Ų | 73 | 60.8 Ų | 60.8 | 45% | 0.448 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64 | -39.5 | 177.4 | -56.8 | 0 | 0 | 0 | 0 | 112.4 | E99 E100 L101 N107 | E99-T103 VanDerWaalsContact O-CB 3.3Å; E99-T103 WeakPolarHBondContact O-CB 3.49Å; E99-T103 PolarHBondContact O-N 3.16Å; E99-T103 PolarHBondContact O-OG1 3.47Å; E100-T103 PolarHBondContact O-N 3.03Å; L101-T103 VanDerWaalsContact C-N 3.3Å; L101-T103 PolarHBondContact O-N 3.41Å; T103-N107 VanDerWaalsContact O-CB 3.31Å; T103-N107 WeakPolarHBondContact O-CB 3.35Å; T103-N107 VanDerWaalsContact O-CG 3.26Å; T103-N107 PolarHBondContact O-N 3.41Å; T103-N107 PolarHBondContact O-ND2 3.24Å |
| 104 | E | 89.4 | Confident | 84.8 | Confident | 53 Ų | 53 | 66.4 Ų | 66.4 | 25% | 0.248 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.2 | -43.3 | 175 | -172 | -175.2 | 72.9 | 0 | 0 | 112 | E100 L101 G102 N107 T108 Y149 | E100-E104 PolarHBondContact O-N 2.99Å; L101-E104 PolarHBondContact O-N 3.42Å; G102-E104 PolarHBondContact O-N 3.04Å; E104-N107 PolarHBondContact O-N 2.98Å; E104-T108 WeakPolarHBondContact O-CB 3.44Å; E104-T108 PolarHBondContact O-N 3.32Å; E104-T108 PolarHBondContact O-OG1 2.97Å; E104-Y149 PolarHBondContact OE1-OH 3.3Å |
| 105 | L | 90.2 | Very high | 84.8 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.7 | -51.9 | 178.1 | -72.3 | 166.4 | 0 | 0 | 0 | 110.5 | V83 L101 G102 N107 T108 L109 L141 Y149 I152 | V83-L105 HydrophobicContact CB-CB 4.34Å; V83-L105 HydrophobicContact CG1-CB 4.12Å; V83-L105 HydrophobicContact CG1-CD1 3.84Å; V83-L105 HydrophobicContact CG2-CB 4Å; L101-L105 WeakPolarHBondContact O-CB 3.34Å; L101-L105 VanDerWaalsContact O-CG 3.26Å; L101-L105 WeakPolarHBondContact O-CG 2.93Å; L101-L105 PolarHBondContact O-N 2.82Å; G102-L105 PolarHBondContact O-N 3.39Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3.41Å; L105-T108 WeakPolarHBondContact O-CB 3.3Å; L105-T108 PolarHBondContact O-N 2.96Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 2.67Å; L105-L141 HydrophobicContact CD1-CD1 4.24Å; L105-Y149 HydrophobicContact CD2-CD1 3.42Å; L105-Y149 VanDerWaalsContact CD2-CD1 3.42Å; L105-Y149 HydrophobicContact CD2-CE1 3.21Å; L105-Y149 HydrophobicContact CD2-CG 4.19Å; L105-Y149 HydrophobicContact CG-CE1 4.31Å; L105-I152 HydrophobicContact CD1-CD1 4.14Å; L105-I152 HydrophobicContact CD2-CD1 3.87Å |
| 106 | S | 91 | Very high | 83.9 | Confident | 14 Ų | 14 | 67.5 Ų | 67.5 | 10% | 0.098 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -53.7 | -48.7 | 175.1 | -71.8 | 0 | 0 | 0 | 0 | 111.7 | F81 V83 G102 T108 L109 Y110 | F81-S106 PolarHBondContact O-OG 3.25Å; V83-S106 WeakPolarHBondContact CG2-OG 3.27Å; G102-S106 WeakPolarHBondContact O-CB 3.44Å; G102-S106 PolarHBondContact O-N 3.43Å; G102-S106 PolarHBondContact O-OG 2.88Å; S106-T108 VanDerWaalsContact C-N 3.26Å; S106-T108 PolarHBondContact O-N 3.36Å; S106-L109 PolarHBondContact O-N 3.48Å; S106-Y110 WeakPolarHBondContact O-CD2 3.3Å; S106-Y110 PolarHBondContact O-N 2.6Å |
| 107 | N | 90.1 | Very high | 83.2 | Confident | 80 Ų | 80 | 62.2 Ų | 62.2 | 43% | 0.428 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -61.2 | -33.9 | 178.2 | -80.4 | -37.4 | 0 | 0 | 0 | 113.4 | T103 E104 L105 K111 | T103-N107 VanDerWaalsContact O-CB 3.31Å; T103-N107 WeakPolarHBondContact O-CB 3.35Å; T103-N107 VanDerWaalsContact O-CG 3.26Å; T103-N107 PolarHBondContact O-N 3.41Å; T103-N107 PolarHBondContact O-ND2 3.24Å; E104-N107 PolarHBondContact O-N 2.98Å; L105-N107 VanDerWaalsContact C-N 3.34Å; L105-N107 PolarHBondContact O-N 3.41Å; N107-K111 WeakPolarHBondContact O-CG 3.39Å; N107-K111 PolarHBondContact O-N 3.41Å |
| 108 | T | 89.5 | Confident | 82.8 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.012 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -71.9 | -43.3 | 176.7 | -56.8 | 0 | 0 | 0 | 0 | 110.3 | E104 L105 S106 K111 V112 Y149 | E104-T108 WeakPolarHBondContact O-CB 3.44Å; E104-T108 PolarHBondContact O-N 3.32Å; E104-T108 PolarHBondContact O-OG1 2.97Å; L105-T108 WeakPolarHBondContact O-CB 3.3Å; L105-T108 PolarHBondContact O-N 2.96Å; S106-T108 VanDerWaalsContact C-N 3.26Å; S106-T108 PolarHBondContact O-N 3.36Å; T108-K111 PolarHBondContact O-N 2.96Å; T108-V112 VanDerWaalsContact O-CG2 3.3Å; T108-V112 WeakPolarHBondContact O-CG2 3.46Å; T108-V112 PolarHBondContact O-N 3.03Å; T108-Y149 HydrophobicContact CG2-CD1 4.44Å; T108-Y149 HydrophobicContact CG2-CE1 4.48Å |
| 109 | L | 88.8 | Confident | 82.5 | Confident | 4 Ų | 4 | 60.6 Ų | 60.6 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 174.8 | -65.6 | 171.7 | 0 | 0 | 0 | 111.4 | F81 V83 L105 S106 K111 V112 F113 I152 I156 I200 | F81-L109 HydrophobicContact CB-CB 4.27Å; F81-L109 HydrophobicContact CB-CD1 4.24Å; F81-L109 HydrophobicContact CD1-CB 4.15Å; F81-L109 HydrophobicContact CD1-CD1 4.15Å; F81-L109 HydrophobicContact CD2-CB 4.12Å; F81-L109 HydrophobicContact CG-CB 3.91Å; F81-L109 HydrophobicContact CG-CD1 4.33Å; V83-L109 HydrophobicContact CG2-CD1 3.99Å; L105-L109 WeakPolarHBondContact O-CG 3.27Å; L105-L109 PolarHBondContact O-N 2.67Å; S106-L109 PolarHBondContact O-N 3.48Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 2.55Å; L109-V112 PolarHBondContact O-N 2.87Å; L109-F113 HydrophobicContact CB-CD2 4.48Å; L109-F113 HydrophobicContact CD2-CE2 4.24Å; L109-F113 VanDerWaalsContact O-CD2 3.26Å; L109-F113 WeakPolarHBondContact O-CD2 3.36Å; L109-F113 PolarHBondContact O-N 2.77Å; L109-I152 HydrophobicContact CD1-CG2 4.05Å; L109-I152 HydrophobicContact CD2-CG2 4.1Å; L109-I156 HydrophobicContact CD1-CD1 3.82Å; L109-I156 HydrophobicContact CD2-CD1 3.63Å; L109-I156 HydrophobicContact CG-CD1 4.33Å; L109-I200 HydrophobicContact CD2-CD1 4.17Å |
| 110 | Y | 88.5 | Confident | 82 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 29% | 0.29 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -52.9 | -45.3 | 174.2 | -81.2 | -64.6 | 0 | 0 | 0 | 112 | L79 E80 F81 S106 V112 F113 N114 | L79-Y110 WeakPolarHBondContact O-CE1 3.28Å; E80-Y110 WeakPolarHBondContact CA-OH 3.44Å; F81-Y110 HydrophobicContact CB-CE2 4.34Å; F81-Y110 AromaticContact CD2-CD1 3.85Å; F81-Y110 HydrophobicContact CD2-CD1 3.85Å; F81-Y110 AromaticContact CD2-CE1 3.88Å; F81-Y110 HydrophobicContact CD2-CE1 3.88Å; F81-Y110 HydrophobicContact CD2-CG 4.18Å; F81-Y110 HydrophobicContact CE2-CD1 4.35Å; F81-Y110 PolarHBondContact N-OH 3.28Å; F81-Y110 VanDerWaalsContact N-OH 3.11Å; S106-Y110 WeakPolarHBondContact O-CD2 3.3Å; S106-Y110 PolarHBondContact O-N 2.6Å; Y110-V112 VanDerWaalsContact C-N 3.33Å; Y110-V112 PolarHBondContact O-N 3.49Å; Y110-F113 PolarHBondContact O-N 2.87Å; Y110-N114 WeakPolarHBondContact O-CB 3.09Å; Y110-N114 PolarHBondContact O-N 3.36Å |
| 111 | K | 86.1 | Confident | 81.5 | Confident | 114 Ų | 114 | 52 Ų | 52 | 50% | 0.496 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.3 | -34.6 | 178 | -73.1 | 174.6 | -177.1 | -174.1 | 0 | 113.4 | N107 T108 L109 | N107-K111 WeakPolarHBondContact O-CG 3.39Å; N107-K111 PolarHBondContact O-N 3.41Å; T108-K111 PolarHBondContact O-N 2.96Å; L109-K111 VanDerWaalsContact C-N 3.27Å; L109-K111 PolarHBondContact O-N 2.55Å |
| 112 | V | 85.9 | Confident | 81.2 | Confident | 3 Ų | 3 | 58 Ų | 58 | 2% | 0.018 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.4 | -42.6 | 178.7 | 172.1 | 0 | 0 | 0 | 0 | 110.6 | T108 L109 Y110 P198 I200 T237 C238 | T108-V112 VanDerWaalsContact O-CG2 3.3Å; T108-V112 WeakPolarHBondContact O-CG2 3.46Å; T108-V112 PolarHBondContact O-N 3.03Å; L109-V112 PolarHBondContact O-N 2.87Å; Y110-V112 VanDerWaalsContact C-N 3.33Å; Y110-V112 PolarHBondContact O-N 3.49Å; V112-P198 HydrophobicContact CG1-CB 4.23Å; V112-P198 HydrophobicContact CG1-CG 3.35Å; V112-I200 HydrophobicContact CG2-CD1 4.07Å; V112-I200 HydrophobicContact CG2-CG1 4.32Å; V112-T237 VanDerWaalsContact O-CG2 3.22Å; V112-T237 WeakPolarHBondContact O-CG2 3.38Å; V112-C238 HydrophobicContact CG2-CB 4.15Å |
| 113 | F | 82 | Confident | 80.7 | Confident | 14 Ų | 14 | 59.7 Ų | 59.7 | 6% | 0.061 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -89.7 | -14.4 | -175.7 | -71.7 | -77.9 | 0 | 0 | 0 | 115 | F81 L109 Y110 N115 S118 L119 I156 L160 V197 | F81-F113 AromaticContact CE1-CD2 3.79Å; F81-F113 HydrophobicContact CE1-CD2 3.79Å; F81-F113 AromaticContact CE1-CE2 3.89Å; F81-F113 HydrophobicContact CE1-CE2 3.89Å; F81-F113 HydrophobicContact CE1-CG 4.45Å; F81-F113 HydrophobicContact CE2-CB 3.9Å; F81-F113 AromaticContact CE2-CD2 3.77Å; F81-F113 HydrophobicContact CE2-CD2 3.77Å; F81-F113 HydrophobicContact CE2-CG 4.06Å; F81-F113 HydrophobicContact CZ-CB 3.85Å; F81-F113 HydrophobicContact CZ-CD1 4.31Å; F81-F113 AromaticContact CZ-CD2 3.19Å; F81-F113 HydrophobicContact CZ-CD2 3.19Å; F81-F113 AromaticContact CZ-CE2 3.77Å; F81-F113 HydrophobicContact CZ-CE2 3.77Å; F81-F113 AromaticContact CZ-CG 3.53Å; F81-F113 HydrophobicContact CZ-CG 3.53Å; L109-F113 HydrophobicContact CB-CD2 4.48Å; L109-F113 HydrophobicContact CD2-CE2 4.24Å; L109-F113 VanDerWaalsContact O-CD2 3.26Å; L109-F113 WeakPolarHBondContact O-CD2 3.36Å; L109-F113 PolarHBondContact O-N 2.77Å; Y110-F113 PolarHBondContact O-N 2.87Å; F113-N115 PolarHBondContact O-N 2.82Å; F113-S118 PolarHBondContact O-OG 2.84Å; F113-L119 HydrophobicContact CD1-CD1 4.01Å; F113-L119 HydrophobicContact CE1-CD1 4.41Å; F113-I156 HydrophobicContact CE1-CG2 4.45Å; F113-I156 HydrophobicContact CE2-CD1 4.38Å; F113-I156 HydrophobicContact CE2-CG2 4.12Å; F113-I156 HydrophobicContact CZ-CG2 3.64Å; F113-L160 HydrophobicContact CE1-CD1 4.28Å; F113-V197 HydrophobicContact CE1-CG1 3.96Å; F113-V197 HydrophobicContact CZ-CG1 4.28Å |
| 114 | N | 77.9 | Confident | 80.2 | Confident | 135 Ų | 135 | 56.4 Ų | 56.4 | 72% | 0.722 | 28% | 0.277 | S | S | * | . | trans | -70.7 | 19.9 | 176.6 | -166.8 | 58.9 | 0 | 0 | 0 | 114.1 | Y110 | Y110-N114 WeakPolarHBondContact O-CB 3.09Å; Y110-N114 PolarHBondContact O-N 3.36Å | ||
| 115 | N | 72.8 | Confident | 79.8 | Confident | 71 Ų | 71 | 55.4 Ų | 55.4 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -105.2 | 124.7 | 175.4 | -79 | -72.3 | 0 | 0 | 0 | 110.1 | F113 H117 S118 T237 | F113-N115 PolarHBondContact O-N 2.82Å; N115-H117 PolarHBondContact O-N 3.4Å; N115-S118 PolarHBondContact O-N 3.49Å; N115-S118 PolarHBondContact O-OG 2.85Å; N115-T237 HydrophobicContact CB-CG2 3.85Å; N115-T237 WeakPolarHBondContact ND2-CG2 3.09Å |
| 116 | Q | 61.7 | Low | 79.3 | Confident | 172 Ų | 172 | 56.6 Ų | 56.6 | 80% | 0.804 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -19.2 | -176.3 | -69.8 | 179.7 | -24.3 | 0 | 0 | 114.6 | ||
| 117 | H | 62.8 | Low | 78.8 | Confident | 106 Ų | 106 | 56.2 Ų | 56.2 | 49% | 0.491 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.3 | -9.1 | -179.4 | -164.5 | -70 | 0 | 0 | 0 | 112.9 | N115 N196 | N115-H117 PolarHBondContact O-N 3.4Å; H117-N196 PolarHBondContact CE1-OD1 3.31Å; H117-N196 WeakPolarHBondContact O-CB 3.24Å |
| 118 | S | 67.9 | Low | 78.2 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.042 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.3 | -38.1 | -173.9 | 64.1 | 0 | 0 | 0 | 0 | 113.6 | F113 N115 | F113-S118 PolarHBondContact O-OG 2.84Å; N115-S118 PolarHBondContact O-N 3.49Å; N115-S118 PolarHBondContact O-OG 2.85Å |
| 119 | L | 73.5 | Confident | 77.5 | Confident | 10 Ų | 10 | 59 Ų | 59 | 5% | 0.052 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -141.9 | 140.6 | -178.7 | -71 | 170.3 | 0 | 0 | 0 | 109.8 | L79 F113 L121 L160 V197 | L79-L119 HydrophobicContact CD1-CD1 3.72Å; L79-L119 HydrophobicContact CD2-CD1 3.62Å; L79-L119 HydrophobicContact CG-CD1 4.36Å; F113-L119 HydrophobicContact CD1-CD1 4.01Å; F113-L119 HydrophobicContact CE1-CD1 4.41Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 HydrophobicContact CB-CD2 4.11Å; L119-L121 PolarHBondContact O-N 2.82Å; L119-L160 HydrophobicContact CD1-CD1 4.4Å; L119-L160 HydrophobicContact CD2-CD1 4.41Å; L119-V197 HydrophobicContact CD2-CG2 3.7Å; L119-V197 HydrophobicContact CG-CG2 4.4Å |
| 120 | D | 74.8 | Confident | 77.2 | Confident | 91 Ų | 91 | 62.4 Ų | 62.4 | 49% | 0.487 | 33% | 0.326 | S | S | . | . | trans | -77.9 | 85.4 | 173.1 | -164.7 | -63.3 | 0 | 0 | 0 | 110.1 | K122 S123 | D120-K122 PolarHBondContact O-N 2.97Å; D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 PolarHBondContact OD1-N 2.89Å; D120-S123 PolarHBondContact O-N 2.92Å; D120-S123 PolarHBondContact O-OG 3.2Å; D120-S123 WeakPolarHBondContact OD1-CB 3.41Å; D120-S123 PolarHBondContact OD1-N 3.41Å | ||
| 121 | L | 76.8 | Confident | 76.9 | Confident | 28 Ų | 28 | 60.6 Ų | 60.6 | 15% | 0.147 | 32% | 0.32 | C | S | . | . | trans | -72.7 | -12.1 | 179.3 | -56.8 | 176 | 0 | 0 | 0 | 113.2 | E76 G77 L79 L119 L124 | E76-L121 WeakPolarHBondContact CA-O 3.34Å; E76-L121 HydrophobicContact CB-CB 3.79Å; G77-L121 PolarHBondContact N-O 2.9Å; L79-L121 HydrophobicContact CD1-CD2 3.46Å; L79-L121 VanDerWaalsContact CD1-CD2 3.46Å; L119-L121 VanDerWaalsContact C-N 3.33Å; L119-L121 HydrophobicContact CB-CD2 4.11Å; L119-L121 PolarHBondContact O-N 2.82Å; L121-L124 HydrophobicContact CD2-CD1 4.06Å; L121-L124 PolarHBondContact O-N 2.69Å | ||
| 122 | K | 78.8 | Confident | 76.9 | Confident | 156 Ų | 156 | 55.1 Ų | 55.1 | 68% | 0.678 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -74 | -36.9 | 177.3 | -63.7 | 179.3 | -178.7 | 176.8 | 0 | 110.7 | D120 L124 C125 | D120-K122 PolarHBondContact O-N 2.97Å; D120-K122 WeakPolarHBondContact OD1-CB 3.45Å; D120-K122 PolarHBondContact OD1-N 2.89Å; K122-L124 PolarHBondContact O-N 3.15Å; K122-C125 WeakPolarHBondContact O-CB 3.45Å; K122-C125 PolarHBondContact O-N 3.06Å |
| 123 | S | 77.6 | Confident | 77 | Confident | 42 Ų | 42 | 55.9 Ų | 55.9 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22.9 | 174.6 | 74.6 | 0 | 0 | 0 | 0 | 113.8 | D120 C125 | D120-S123 PolarHBondContact O-N 2.92Å; D120-S123 PolarHBondContact O-OG 3.2Å; D120-S123 WeakPolarHBondContact OD1-CB 3.41Å; D120-S123 PolarHBondContact OD1-N 3.41Å; S123-C125 VanDerWaalsContact C-N 3.34Å |
| 124 | L | 79.1 | Confident | 77.3 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.021 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | -5.9 | 176.8 | -68 | 174.6 | 0 | 0 | 0 | 113.3 | L121 K122 W133 L135 I165 L192 | L121-L124 HydrophobicContact CD2-CD1 4.06Å; L121-L124 PolarHBondContact O-N 2.69Å; K122-L124 PolarHBondContact O-N 3.15Å; L124-W133 HydrophobicContact CB-CB 4.02Å; L124-W133 HydrophobicContact CD2-CB 3.81Å; L124-W133 HydrophobicContact CD2-CG 4.31Å; L124-W133 HydrophobicContact CG-CB 4.46Å; L124-W133 WeakPolarHBondContact O-CB 3.03Å; L124-W133 PolarHBondContact O-N 2.99Å; L124-L135 HydrophobicContact CD1-CD1 4Å; L124-L135 HydrophobicContact CD1-CG 4.45Å; L124-L135 HydrophobicContact CD2-CD1 4.48Å; L124-I165 HydrophobicContact CD2-CD1 3.47Å; L124-I165 VanDerWaalsContact CD2-CD1 3.47Å; L124-L192 HydrophobicContact CD1-CD2 4.37Å; L124-L192 HydrophobicContact CD2-CD2 4.09Å; L124-L192 HydrophobicContact CG-CD2 4.24Å |
| 125 | C | 80.4 | Confident | 77.9 | Confident | 31 Ų | 31 | 48.9 Ų | 48.9 | 21% | 0.209 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 119.3 | 177 | -170.1 | 0 | 0 | 0 | 0 | 110 | N75 K122 S123 | N75-C125 WeakPolarHBondContact O-CB 3.36Å; K122-C125 WeakPolarHBondContact O-CB 3.45Å; K122-C125 PolarHBondContact O-N 3.06Å; S123-C125 VanDerWaalsContact C-N 3.34Å |
| 126 | I | 79.9 | Confident | 78.9 | Confident | 31 Ų | 31 | 48.6 Ų | 48.6 | 16% | 0.159 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | -55.1 | 178.1 | -56.4 | 160.8 | 0 | 0 | 0 | 108.4 | I66 H131 W133 V168 I170 | I66-I126 HydrophobicContact CD1-CD1 4.2Å; I66-I126 HydrophobicContact CG1-CD1 4.09Å; I66-I126 HydrophobicContact CG2-CD1 3.91Å; I126-H131 HydrophobicContact CB-CB 4.19Å; I126-H131 WeakPolarHBondContact CB-O 3.1Å; I126-H131 HydrophobicContact CD1-CB 4.29Å; I126-H131 HydrophobicContact CG2-CB 4.49Å; I126-H131 PolarHBondContact N-O 3.44Å; I126-W133 HydrophobicContact CD1-CD2 4.3Å; I126-W133 HydrophobicContact CD1-CG 4.24Å; I126-W133 HydrophobicContact CG1-CG 4.47Å; I126-V168 HydrophobicContact CD1-CG2 3.79Å; I126-V168 HydrophobicContact CG1-CG2 3.74Å; I126-V168 HydrophobicContact CG2-CG2 4.14Å; I126-I170 HydrophobicContact CG2-CD1 3.47Å; I126-I170 VanDerWaalsContact CG2-CD1 3.47Å; I126-I170 HydrophobicContact CG2-CG1 3.68Å; I126-I170 WeakPolarHBondContact O-CD1 3.26Å |
| 127 | S | 79.3 | Confident | 80.4 | Confident | 7 Ų | 7 | 40.4 Ų | 40.4 | 5% | 0.049 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 129.9 | 171.7 | 57 | 0 | 0 | 0 | 0 | 110.9 | G129 E130 H131 | S127-G129 PolarHBondContact O-N 2.91Å; S127-E130 PolarHBondContact O-N 3.13Å; S127-H131 PolarHBondContact N-O 3.16Å; S127-H131 PolarHBondContact O-N 3.41Å; S127-H131 PolarHBondContact OG-N 3.45Å |
| 128 | P | 78.8 | Confident | 81.8 | Confident | 92 Ų | 92 | 38.8 Ų | 38.8 | 60% | 0.597 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.2 | 124.3 | -174.8 | 25.8 | -34 | 0 | 0 | 0 | 110.7 | A74 N75 E130 | A74-P128 WeakPolarHBondContact O-CA 3.2Å; N75-P128 VanDerWaalsContact OD1-CB 3.23Å; N75-P128 WeakPolarHBondContact OD1-CB 3.34Å; P128-E130 VanDerWaalsContact C-N 3.34Å; P128-E130 PolarHBondContact O-N 3.11Å |
| 129 | G | 75.3 | Confident | 83 | Confident | 48 Ų | 48 | 38.6 Ų | 38.6 | 50% | 0.495 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.5 | -6.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | A74 S127 | A74-G129 PolarHBondContact O-N 3.2Å; S127-G129 PolarHBondContact O-N 2.91Å |
| 130 | E | 80.6 | Confident | 83.9 | Confident | 76 Ų | 76 | 40.6 Ų | 40.6 | 36% | 0.355 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -124.1 | -52.4 | -175.9 | -158.1 | 171.9 | 160.1 | 0 | 0 | 112.6 | S127 P128 K178 | S127-E130 PolarHBondContact O-N 3.13Å; P128-E130 VanDerWaalsContact C-N 3.34Å; P128-E130 PolarHBondContact O-N 3.11Å; E130-K178 WeakPolarHBondContact OE2-CE 3.31Å; E130-K178 IonicContact OE2-NZ 2.96Å; E130-K178 PolarHBondContact OE2-NZ 3.03Å |
| 131 | H | 83 | Confident | 84.7 | Confident | 35 Ų | 35 | 36.4 Ų | 36.4 | 16% | 0.162 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 125 | -179.5 | -57.8 | -66.4 | 0 | 0 | 0 | 111.7 | I66 G67 I126 S127 I180 | I66-H131 HydrophobicContact CG2-CB 4.1Å; G67-H131 WeakPolarHBondContact O-CA 3.47Å; I126-H131 HydrophobicContact CB-CB 4.19Å; I126-H131 WeakPolarHBondContact CB-O 3.1Å; I126-H131 HydrophobicContact CD1-CB 4.29Å; I126-H131 HydrophobicContact CG2-CB 4.49Å; I126-H131 PolarHBondContact N-O 3.44Å; S127-H131 PolarHBondContact N-O 3.16Å; S127-H131 PolarHBondContact O-N 3.41Å; S127-H131 PolarHBondContact OG-N 3.45Å; H131-I180 HydrophobicContact CB-CD1 4.37Å |
| 132 | C | 86.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 154.6 | 170.3 | 69.1 | 0 | 0 | 0 | 0 | 110.4 | G67 P69 | G67-C132 PolarHBondContact N-O 3.42Å; G67-C132 PolarHBondContact O-N 3.16Å; G67-C132 VanDerWaalsContact O-O 3.11Å; P69-C132 WeakPolarHBondContact CA-SG 2.99Å; P69-C132 HydrophobicContact CB-CB 4Å; P69-C132 HydrophobicContact CG-CB 4.4Å |
| 133 | W | 87.5 | Confident | 85.7 | Confident | 18 Ų | 18 | 34 Ų | 34 | 7% | 0.068 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 131 | 166.5 | -71.6 | 105.8 | 0 | 0 | 0 | 110.5 | A64 I66 G77 L124 I126 I165 P166 V168 | A64-W133 HydrophobicContact CB-CE3 3.85Å; A64-W133 HydrophobicContact CB-CZ3 3.87Å; I66-W133 HydrophobicContact CD1-CH2 3.95Å; I66-W133 HydrophobicContact CD1-CZ2 4.16Å; I66-W133 HydrophobicContact CD1-CZ3 4.33Å; I66-W133 HydrophobicContact CG1-CD2 4.24Å; I66-W133 HydrophobicContact CG1-CE3 3.86Å; I66-W133 HydrophobicContact CG1-CH2 3.72Å; I66-W133 HydrophobicContact CG1-CZ2 4.09Å; I66-W133 HydrophobicContact CG1-CZ3 3.6Å; G77-W133 WeakPolarHBondContact CA-O 3.37Å; L124-W133 HydrophobicContact CB-CB 4.02Å; L124-W133 HydrophobicContact CD2-CB 3.81Å; L124-W133 HydrophobicContact CD2-CG 4.31Å; L124-W133 HydrophobicContact CG-CB 4.46Å; L124-W133 WeakPolarHBondContact O-CB 3.03Å; L124-W133 PolarHBondContact O-N 2.99Å; I126-W133 HydrophobicContact CD1-CD2 4.3Å; I126-W133 HydrophobicContact CD1-CG 4.24Å; I126-W133 HydrophobicContact CG1-CG 4.47Å; W133-I165 HydrophobicContact CD2-CG2 3.79Å; W133-I165 HydrophobicContact CE3-CG2 4.1Å; W133-I165 HydrophobicContact CG-CG2 4.35Å; W133-I165 HydrophobicContact CH2-CG2 4Å; W133-I165 HydrophobicContact CZ2-CG2 3.68Å; W133-I165 HydrophobicContact CZ3-CG2 4.19Å; W133-P166 HydrophobicContact CH2-CG 4.02Å; W133-P166 WeakPolarHBondContact CZ2-O 3.21Å; W133-V168 HydrophobicContact CZ2-CG1 4.03Å; W133-V168 HydrophobicContact CZ2-CG2 3.67Å |
| 134 | V | 89.3 | Confident | 85.9 | Confident | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 122.3 | 170.4 | -174.6 | 0 | 0 | 0 | 0 | 107 | E65 Y78 E80 Y136 | E65-V134 PolarHBondContact N-O 3.3Å; E65-V134 PolarHBondContact O-N 2.97Å; Y78-V134 HydrophobicContact CD1-CG2 4.28Å; Y78-V134 HydrophobicContact CD2-CG1 4Å; Y78-V134 HydrophobicContact CE1-CG1 4.39Å; Y78-V134 HydrophobicContact CE1-CG2 3.61Å; Y78-V134 HydrophobicContact CE2-CB 4.5Å; Y78-V134 HydrophobicContact CE2-CG1 3.49Å; Y78-V134 VanDerWaalsContact CE2-CG1 3.49Å; Y78-V134 HydrophobicContact CE2-CG2 4.22Å; Y78-V134 WeakPolarHBondContact O-CA 3.43Å; E80-V134 HydrophobicContact CG-CG1 4.37Å; V134-Y136 HydrophobicContact CB-CE2 4.11Å; V134-Y136 HydrophobicContact CG1-CD2 4.26Å; V134-Y136 HydrophobicContact CG1-CE1 4.26Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å |
| 135 | L | 90.3 | Very high | 86.1 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 111.6 | 177.1 | -57.8 | 177.2 | 0 | 0 | 0 | 108.8 | I62 A64 Y78 L79 E80 L124 I165 L192 | I62-L135 HydrophobicContact CG2-CB 4.45Å; A64-L135 HydrophobicContact CB-CD2 3.66Å; Y78-L135 PolarHBondContact O-N 3.26Å; Y78-L135 VanDerWaalsContact O-N 3.14Å; L79-L135 WeakPolarHBondContact CA-O 3.46Å; L79-L135 HydrophobicContact CG-CB 4.16Å; L79-L135 HydrophobicContact CG-CD1 4.38Å; E80-L135 PolarHBondContact N-O 3.33Å; L124-L135 HydrophobicContact CD1-CD1 4Å; L124-L135 HydrophobicContact CD1-CG 4.45Å; L124-L135 HydrophobicContact CD2-CD1 4.48Å; L135-I165 HydrophobicContact CD2-CD1 3.94Å; L135-L192 HydrophobicContact CD1-CD1 3.69Å |
| 136 | Y | 92.6 | Very high | 86.1 | Confident | 66 Ų | 66 | 33.6 Ų | 33.6 | 26% | 0.259 | 19% | 0.185 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116 | 170.9 | -68.4 | -77.5 | 0 | 0 | 0 | 108.5 | I62 K63 E65 E80 V134 | I62-Y136 CarbonylContact C-O 3.59Å; I62-Y136 VanDerWaalsContact CA-O 3.29Å; I62-Y136 WeakPolarHBondContact CA-O 3.36Å; K63-Y136 PolarHBondContact N-O 3.05Å; K63-Y136 PolarHBondContact O-N 3.35Å; E65-Y136 HydrophobicContact CB-CD2 4.25Å; E65-Y136 HydrophobicContact CB-CE2 4.01Å; E65-Y136 HydrophobicContact CG-CD2 4.06Å; E65-Y136 HydrophobicContact CG-CE2 4.16Å; E65-Y136 WeakPolarHBondContact OE2-CE2 3.02Å; E80-Y136 HydrophobicContact CB-CD1 3.81Å; E80-Y136 HydrophobicContact CB-CE1 3.88Å; E80-Y136 HydrophobicContact CG-CD1 4.44Å; E80-Y136 HydrophobicContact CG-CE1 4.03Å; E80-Y136 WeakPolarHBondContact OE2-CE1 3.35Å; E80-Y136 PolarHBondContact OE2-OH 2.87Å; E80-Y136 VanDerWaalsContact OE2-OH 3.08Å; V134-Y136 HydrophobicContact CB-CE2 4.11Å; V134-Y136 HydrophobicContact CG1-CD2 4.26Å; V134-Y136 HydrophobicContact CG1-CE1 4.26Å; V134-Y136 HydrophobicContact CG1-CE2 3.67Å |
| 137 | V | 93.3 | Very high | 86.3 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 105.3 | 177.4 | -176.4 | 0 | 0 | 0 | 0 | 107.7 | V60 I62 L79 E80 F81 F82 V139 I156 | V60-V137 HydrophobicContact CG1-CG1 3.82Å; I62-V137 HydrophobicContact CD1-CG2 4.38Å; I62-V137 HydrophobicContact CG1-CG1 4.3Å; I62-V137 HydrophobicContact CG1-CG2 4.17Å; L79-V137 HydrophobicContact CD2-CG2 4.29Å; E80-V137 PolarHBondContact O-N 2.67Å; F81-V137 WeakPolarHBondContact CA-O 3.38Å; F81-V137 HydrophobicContact CD1-CB 3.68Å; F81-V137 HydrophobicContact CD1-CG1 3.9Å; F81-V137 HydrophobicContact CD1-CG2 4.15Å; F81-V137 HydrophobicContact CE1-CB 3.93Å; F81-V137 HydrophobicContact CE1-CG1 4.09Å; F81-V137 HydrophobicContact CE1-CG2 3.9Å; F82-V137 PolarHBondContact N-O 2.96Å; V137-V139 HydrophobicContact CG1-CG2 4.37Å; V137-I156 HydrophobicContact CG1-CD1 4.39Å; V137-I156 HydrophobicContact CG1-CG1 4Å; V137-I156 HydrophobicContact CG1-CG2 4.43Å |
| 138 | D | 93.7 | Very high | 86.7 | Confident | 72 Ų | 72 | 33.4 Ų | 33.4 | 39% | 0.385 | 18% | 0.184 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.3 | 177.7 | -65.3 | -57.2 | 0 | 0 | 0 | 109.3 | V60 G61 F82 | V60-D138 CarbonylContact C-O 3.55Å; V60-D138 VanDerWaalsContact CA-O 3.31Å; V60-D138 WeakPolarHBondContact CA-O 3.48Å; G61-D138 PolarHBondContact N-O 2.84Å; G61-D138 PolarHBondContact O-N 3.44Å; F82-D138 WeakPolarHBondContact CB-OD1 3.29Å |
| 139 | V | 93.3 | Very high | 87.3 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.012 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 118.7 | 176.4 | -177.1 | 0 | 0 | 0 | 0 | 108.3 | V58 V60 F82 V83 D84 V137 L141 I152 I156 | V58-V139 HydrophobicContact CG1-CG1 3.68Å; V60-V139 HydrophobicContact CG2-CB 4.39Å; V60-V139 HydrophobicContact CG2-CG1 4.16Å; V60-V139 HydrophobicContact CG2-CG2 4.07Å; F82-V139 PolarHBondContact O-N 2.98Å; V83-V139 CarbonylContact C-O 3.59Å; V83-V139 WeakPolarHBondContact CA-O 3.44Å; V83-V139 HydrophobicContact CB-CB 4.47Å; V83-V139 HydrophobicContact CG1-CB 4.36Å; V83-V139 HydrophobicContact CG1-CG1 4.41Å; V83-V139 HydrophobicContact CG2-CB 4.1Å; V83-V139 HydrophobicContact CG2-CG2 4.31Å; D84-V139 PolarHBondContact N-O 3.34Å; V137-V139 HydrophobicContact CG1-CG2 4.37Å; V139-L141 HydrophobicContact CG1-CD2 4.38Å; V139-I152 HydrophobicContact CG1-CD1 4.4Å; V139-I152 HydrophobicContact CG1-CG1 3.93Å; V139-I152 HydrophobicContact CG1-CG2 3.93Å; V139-I152 HydrophobicContact CG2-CG2 4.09Å; V139-I156 HydrophobicContact CG2-CD1 4.14Å; V139-I156 HydrophobicContact CG2-CG1 4.26Å |
| 140 | L | 92.1 | Very high | 88 | Confident | 52 Ų | 52 | 27.5 Ų | 27.5 | 27% | 0.272 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.9 | 175.1 | -179.7 | 66.5 | 0 | 0 | 0 | 109.9 | L59 D84 L142 | L59-L140 HydrophobicContact CB-CB 4.35Å; L59-L140 HydrophobicContact CD2-CD2 4.31Å; L59-L140 PolarHBondContact N-O 2.93Å; L59-L140 PolarHBondContact O-N 3.06Å; D84-L140 HydrophobicContact CB-CD1 3.98Å; L140-L142 HydrophobicContact CD2-CD2 3.91Å; L140-L142 HydrophobicContact CG-CD2 4.15Å |
| 141 | L | 90.6 | Very high | 88.5 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.016 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 119.1 | 173.4 | -58.8 | -177 | 0 | 0 | 0 | 110 | V58 D84 S86 L105 V139 L148 I152 | V58-L141 HydrophobicContact CB-CD2 4.5Å; V58-L141 HydrophobicContact CG1-CD2 4.13Å; V58-L141 HydrophobicContact CG2-CD2 3.76Å; D84-L141 PolarHBondContact O-N 3.49Å; S86-L141 WeakPolarHBondContact CB-O 3.35Å; S86-L141 PolarHBondContact N-O 2.96Å; L105-L141 HydrophobicContact CD1-CD1 4.24Å; V139-L141 HydrophobicContact CG1-CD2 4.38Å; L141-L148 HydrophobicContact CD1-CD1 4.36Å; L141-L148 HydrophobicContact CD1-CD2 4.42Å; L141-L148 HydrophobicContact CD2-CD2 4.28Å; L141-I152 HydrophobicContact CD2-CD1 4.04Å; L141-I152 HydrophobicContact CD2-CG1 4.11Å |
| 142 | L | 88.6 | Confident | 89 | Confident | 35 Ų | 35 | 22.3 Ų | 22.3 | 18% | 0.183 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -43.5 | 178.1 | -61.2 | 175.1 | 0 | 0 | 0 | 111.5 | A57 L59 N88 A89 L140 F289 | A57-L142 HydrophobicContact CB-CB 4.03Å; A57-L142 HydrophobicContact CB-CD1 4.48Å; A57-L142 WeakPolarHBondContact O-CB 2.94Å; A57-L142 PolarHBondContact O-N 3.03Å; L59-L142 HydrophobicContact CB-CD1 4.27Å; N88-L142 CarbonylContact C-O 3.57Å; A89-L142 WeakPolarHBondContact CA-O 3.48Å; A89-L142 PolarHBondContact N-O 3.3Å; L140-L142 HydrophobicContact CD2-CD2 3.91Å; L140-L142 HydrophobicContact CG-CD2 4.15Å; L142-F289 HydrophobicContact CD1-CE1 4.27Å |
| 143 | Q | 87.7 | Confident | 89.2 | Confident | 99 Ų | 99 | 22.4 Ų | 22.4 | 46% | 0.463 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 146.2 | 178.8 | -64.2 | -178.9 | -37.9 | 0 | 0 | 110.4 | H55 A57 | H55-Q143 WeakPolarHBondContact O-CB 3.43Å; A57-Q143 HydrophobicContact CB-CB 4.15Å; A57-Q143 HydrophobicContact CB-CG 4.36Å; A57-Q143 PolarHBondContact N-O 2.86Å; A57-Q143 PolarHBondContact O-N 3.37Å; A57-Q143 VanDerWaalsContact O-N 3.16Å |
| 144 | C | 82.9 | Confident | 89.4 | Confident | 25 Ų | 25 | 21.5 Ų | 21.5 | 17% | 0.169 | 11% | 0.108 | C | C | . | . | trans | -127.2 | 105.2 | -177.5 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | A89 L148 | A89-C144 HydrophobicContact CB-CB 4.13Å; C144-L148 HydrophobicContact CB-CD2 4.22Å | ||
| 145 | D | 81.6 | Confident | 89.5 | Confident | 41 Ų | 41 | 21.5 Ų | 21.5 | 22% | 0.219 | 11% | 0.108 | C | C | . | . | S | Bend | trans | -129.1 | 40.7 | 174.7 | -165.3 | -113.9 | 0 | 0 | 0 | 112 | R33 H55 T56 | R33-D145 IonicContact CZ-OD1 2.67Å; R33-D145 IonicContact NH1-OD1 3.45Å; R33-D145 PolarHBondContact NH1-OD1 2.86Å; R33-D145 PolarHBondContact NH2-O 3.08Å; R33-D145 VanDerWaalsContact NH2-O 3.16Å; R33-D145 IonicContact NH2-OD1 2.97Å; H55-D145 HydrophobicContact CB-CB 3.48Å; H55-D145 VanDerWaalsContact CB-CB 3.48Å; T56-D145 WeakPolarHBondContact OG1-CA 3.45Å; T56-D145 PolarHBondContact OG1-N 2.79Å |
| 146 | G | 81.2 | Confident | 89.6 | Confident | 2 Ų | 2 | 21.4 Ų | 21.4 | 2% | 0.021 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 86.9 | 177.6 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | T56 L148 | T56-G146 PolarHBondContact OG1-O 3.24Å; G146-L148 PolarHBondContact O-N 2.98Å |
| 147 | N | 85.3 | Confident | 89.5 | Confident | 9 Ų | 9 | 18.3 Ų | 18.3 | 5% | 0.048 | 10% | 0.095 | C | C | . | . | trans | 42.7 | 40.3 | -178.7 | -157.8 | 21.4 | 0 | 0 | 0 | 117.1 | Y32 L53 Y149 D150 A151 T202 D213 | Y32-N147 WeakPolarHBondContact CE1-ND2 2.95Å; L53-N147 HydrophobicContact CD2-CB 4.12Å; N147-Y149 PolarHBondContact O-N 2.88Å; N147-D150 PolarHBondContact O-N 3.21Å; N147-D150 VanDerWaalsContact OD1-CB 3.27Å; N147-D150 WeakPolarHBondContact OD1-CB 3.45Å; N147-A151 PolarHBondContact O-N 3.21Å; N147-T202 PolarHBondContact OD1-OG1 3.1Å; N147-D213 WeakPolarHBondContact CB-OD2 3.44Å; N147-D213 PolarHBondContact ND2-OD2 3.11Å | ||
| 148 | L | 87.8 | Confident | 89.3 | Confident | 25 Ų | 25 | 18.3 Ų | 18.3 | 13% | 0.131 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.2 | -45.1 | -178.4 | -67.7 | 174.7 | 0 | 0 | 0 | 113.4 | T56 L141 C144 G146 D150 A151 I152 | T56-L148 HydrophobicContact CG2-CD2 3.79Å; L141-L148 HydrophobicContact CD1-CD1 4.36Å; L141-L148 HydrophobicContact CD1-CD2 4.42Å; L141-L148 HydrophobicContact CD2-CD2 4.28Å; C144-L148 HydrophobicContact CB-CD2 4.22Å; G146-L148 PolarHBondContact O-N 2.98Å; L148-D150 PolarHBondContact O-N 2.93Å; L148-A151 PolarHBondContact O-N 2.9Å; L148-I152 HydrophobicContact CB-CD1 4.35Å; L148-I152 WeakPolarHBondContact O-CB 3.48Å; L148-I152 WeakPolarHBondContact O-CD1 3.43Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 2.94Å |
| 149 | Y | 90.3 | Very high | 89.2 | Confident | 16 Ų | 16 | 14.9 Ų | 14.9 | 6% | 0.063 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -60.6 | -36.8 | -173.8 | -61.3 | -86.7 | 0 | 0 | 0 | 112.4 | E104 L105 T108 N147 S153 I227 | E104-Y149 PolarHBondContact OE1-OH 3.3Å; L105-Y149 HydrophobicContact CD2-CD1 3.42Å; L105-Y149 VanDerWaalsContact CD2-CD1 3.42Å; L105-Y149 HydrophobicContact CD2-CE1 3.21Å; L105-Y149 HydrophobicContact CD2-CG 4.19Å; L105-Y149 HydrophobicContact CG-CE1 4.31Å; T108-Y149 HydrophobicContact CG2-CD1 4.44Å; T108-Y149 HydrophobicContact CG2-CE1 4.48Å; N147-Y149 PolarHBondContact O-N 2.88Å; Y149-S153 WeakPolarHBondContact O-CB 3.34Å; Y149-S153 PolarHBondContact O-N 3.16Å; Y149-I227 HydrophobicContact CD1-CD1 3.97Å; Y149-I227 HydrophobicContact CD2-CD1 3.81Å; Y149-I227 HydrophobicContact CD2-CG1 4.46Å; Y149-I227 HydrophobicContact CE1-CD1 3.75Å; Y149-I227 HydrophobicContact CE2-CD1 3.61Å; Y149-I227 HydrophobicContact CG-CD1 4.01Å |
| 150 | D | 90.4 | Very high | 89 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -71.6 | -51.4 | -179.4 | -161.9 | -18.9 | 0 | 0 | 0 | 110.9 | Y32 N147 L148 I152 S153 V154 I200 | Y32-D150 WeakPolarHBondContact CE1-OD2 3.44Å; Y32-D150 PolarHBondContact OH-OD2 3.38Å; N147-D150 PolarHBondContact O-N 3.21Å; N147-D150 VanDerWaalsContact OD1-CB 3.27Å; N147-D150 WeakPolarHBondContact OD1-CB 3.45Å; L148-D150 PolarHBondContact O-N 2.93Å; D150-I152 VanDerWaalsContact C-N 3.27Å; D150-I152 PolarHBondContact O-N 3.49Å; D150-S153 WeakPolarHBondContact O-CA 3.18Å; D150-S153 PolarHBondContact O-N 3.32Å; D150-S153 PolarHBondContact O-OG 3.38Å; D150-V154 WeakPolarHBondContact O-CG2 3.25Å; D150-V154 PolarHBondContact O-N 2.88Å; D150-I200 WeakPolarHBondContact CA-O 3.36Å; D150-I200 WeakPolarHBondContact CB-O 3.43Å |
| 151 | A | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -54.5 | -43.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | M35 L53 T56 V58 N147 L148 V154 A155 | M35-A151 HydrophobicContact CE-CB 4.49Å; L53-A151 HydrophobicContact CB-CB 4.46Å; L53-A151 HydrophobicContact CD2-CB 4.49Å; T56-A151 HydrophobicContact CG2-CB 4.15Å; V58-A151 HydrophobicContact CG2-CB 3.97Å; N147-A151 PolarHBondContact O-N 3.21Å; L148-A151 PolarHBondContact O-N 2.9Å; A151-V154 PolarHBondContact O-N 2.83Å; A151-A155 VanDerWaalsContact O-CB 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.27Å; A151-A155 PolarHBondContact O-N 2.88Å |
| 152 | I | 92.4 | Very high | 88.6 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | 175.3 | -64.7 | 163.8 | 0 | 0 | 0 | 110.9 | V58 L105 L109 V139 L141 L148 D150 V154 A155 I156 | V58-I152 HydrophobicContact CG1-CG1 4.07Å; V58-I152 HydrophobicContact CG2-CG1 4.24Å; L105-I152 HydrophobicContact CD1-CD1 4.14Å; L105-I152 HydrophobicContact CD2-CD1 3.87Å; L109-I152 HydrophobicContact CD1-CG2 4.05Å; L109-I152 HydrophobicContact CD2-CG2 4.1Å; V139-I152 HydrophobicContact CG1-CD1 4.4Å; V139-I152 HydrophobicContact CG1-CG1 3.93Å; V139-I152 HydrophobicContact CG1-CG2 3.93Å; V139-I152 HydrophobicContact CG2-CG2 4.09Å; L141-I152 HydrophobicContact CD2-CD1 4.04Å; L141-I152 HydrophobicContact CD2-CG1 4.11Å; L148-I152 HydrophobicContact CB-CD1 4.35Å; L148-I152 WeakPolarHBondContact O-CB 3.48Å; L148-I152 WeakPolarHBondContact O-CD1 3.43Å; L148-I152 WeakPolarHBondContact O-CG1 3.49Å; L148-I152 PolarHBondContact O-N 2.94Å; D150-I152 VanDerWaalsContact C-N 3.27Å; D150-I152 PolarHBondContact O-N 3.49Å; I152-V154 VanDerWaalsContact C-N 3.34Å; I152-V154 PolarHBondContact O-N 3.34Å; I152-A155 PolarHBondContact O-N 3.22Å; I152-I156 HydrophobicContact CG2-CD1 3.61Å; I152-I156 HydrophobicContact CG2-CG1 4.21Å; I152-I156 WeakPolarHBondContact O-CB 3.49Å; I152-I156 VanDerWaalsContact O-CG1 3.26Å; I152-I156 WeakPolarHBondContact O-CG1 3.38Å; I152-I156 PolarHBondContact O-N 2.94Å |
| 153 | S | 91.1 | Very high | 88.6 | Confident | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.014 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.2 | -40 | -179.1 | 78.3 | 0 | 0 | 0 | 0 | 112.7 | Y149 D150 K157 I200 | Y149-S153 WeakPolarHBondContact O-CB 3.34Å; Y149-S153 PolarHBondContact O-N 3.16Å; D150-S153 WeakPolarHBondContact O-CA 3.18Å; D150-S153 PolarHBondContact O-N 3.32Å; D150-S153 PolarHBondContact O-OG 3.38Å; S153-K157 WeakPolarHBondContact O-CB 3.5Å; S153-K157 PolarHBondContact O-N 3.25Å; S153-I200 PolarHBondContact OG-N 3.36Å |
| 154 | V | 91.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.1 | -41.8 | 175.7 | 176.5 | 0 | 0 | 0 | 0 | 110.4 | M35 V37 V51 D150 A151 I152 K157 A158 L266 L270 | M35-V154 HydrophobicContact CE-CB 4.03Å; M35-V154 HydrophobicContact CE-CG1 4.3Å; M35-V154 HydrophobicContact CE-CG2 3.91Å; M35-V154 HydrophobicContact SD-CB 4.06Å; M35-V154 HydrophobicContact SD-CG1 3.67Å; M35-V154 HydrophobicContact SD-CG2 4.04Å; V37-V154 HydrophobicContact CG2-CG1 4.08Å; V51-V154 HydrophobicContact CG2-CG1 4.23Å; D150-V154 WeakPolarHBondContact O-CG2 3.25Å; D150-V154 PolarHBondContact O-N 2.88Å; A151-V154 PolarHBondContact O-N 2.83Å; I152-V154 VanDerWaalsContact C-N 3.34Å; I152-V154 PolarHBondContact O-N 3.34Å; V154-K157 PolarHBondContact O-N 2.93Å; V154-A158 WeakPolarHBondContact O-CB 3.49Å; V154-A158 PolarHBondContact O-N 2.85Å; V154-L266 HydrophobicContact CG2-CD2 3.71Å; V154-L270 HydrophobicContact CG1-CD1 3.62Å; V154-L270 HydrophobicContact CG1-CD2 3.9Å; V154-L270 HydrophobicContact CG1-CG 4.41Å |
| 155 | A | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 12 Ų | 12 | 0% | 0 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -64.2 | -43.4 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | V51 V58 V60 A151 I152 K157 A158 A159 | V51-A155 HydrophobicContact CB-CB 4.07Å; V51-A155 HydrophobicContact CG2-CB 3.55Å; V58-A155 HydrophobicContact CG1-CB 4.32Å; V60-A155 HydrophobicContact CB-CB 4.25Å; V60-A155 HydrophobicContact CG2-CB 3.44Å; V60-A155 VanDerWaalsContact CG2-CB 3.44Å; A151-A155 VanDerWaalsContact O-CB 3.24Å; A151-A155 WeakPolarHBondContact O-CB 3.27Å; A151-A155 PolarHBondContact O-N 2.88Å; I152-A155 PolarHBondContact O-N 3.22Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-K157 PolarHBondContact O-N 2.92Å; A155-A158 PolarHBondContact O-N 3.28Å; A155-A159 VanDerWaalsContact O-CB 3.27Å; A155-A159 WeakPolarHBondContact O-CB 3.24Å; A155-A159 PolarHBondContact O-N 3.45Å |
| 156 | I | 91.7 | Very high | 88.3 | Confident | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -62.7 | -43.4 | 175.1 | -67.6 | 168.6 | 0 | 0 | 0 | 110.4 | V60 F81 L109 F113 V137 V139 I152 A159 L160 | V60-I156 HydrophobicContact CG1-CG1 4.18Å; V60-I156 HydrophobicContact CG2-CG1 4.27Å; F81-I156 HydrophobicContact CD1-CD1 4.3Å; F81-I156 HydrophobicContact CE1-CD1 4.26Å; F81-I156 HydrophobicContact CE1-CG2 4.42Å; L109-I156 HydrophobicContact CD1-CD1 3.82Å; L109-I156 HydrophobicContact CD2-CD1 3.63Å; L109-I156 HydrophobicContact CG-CD1 4.33Å; F113-I156 HydrophobicContact CE1-CG2 4.45Å; F113-I156 HydrophobicContact CE2-CD1 4.38Å; F113-I156 HydrophobicContact CE2-CG2 4.12Å; F113-I156 HydrophobicContact CZ-CG2 3.64Å; V137-I156 HydrophobicContact CG1-CD1 4.39Å; V137-I156 HydrophobicContact CG1-CG1 4Å; V137-I156 HydrophobicContact CG1-CG2 4.43Å; V139-I156 HydrophobicContact CG2-CD1 4.14Å; V139-I156 HydrophobicContact CG2-CG1 4.26Å; I152-I156 HydrophobicContact CG2-CD1 3.61Å; I152-I156 HydrophobicContact CG2-CG1 4.21Å; I152-I156 WeakPolarHBondContact O-CB 3.49Å; I152-I156 VanDerWaalsContact O-CG1 3.26Å; I152-I156 WeakPolarHBondContact O-CG1 3.38Å; I152-I156 PolarHBondContact O-N 2.94Å; I156-A159 PolarHBondContact O-N 3.48Å; I156-L160 HydrophobicContact CG2-CD1 3.75Å; I156-L160 HydrophobicContact CG2-CG 4.24Å; I156-L160 WeakPolarHBondContact O-CB 3.26Å; I156-L160 VanDerWaalsContact O-CG 3.28Å; I156-L160 WeakPolarHBondContact O-CG 3.41Å; I156-L160 PolarHBondContact O-N 2.91Å |
| 157 | K | 90.6 | Very high | 88.1 | Confident | 1 Ų | 1 | 17.4 Ų | 17.4 | 0% | 0.004 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 177.4 | -177.2 | 164 | -178 | 158.6 | 0 | 112.3 | S153 V154 A155 F161 V194 V197 H267 L270 | S153-K157 WeakPolarHBondContact O-CB 3.5Å; S153-K157 PolarHBondContact O-N 3.25Å; V154-K157 PolarHBondContact O-N 2.93Å; A155-K157 VanDerWaalsContact C-N 3.35Å; A155-K157 PolarHBondContact O-N 2.92Å; K157-F161 PolarHBondContact O-N 3.03Å; K157-F161 VanDerWaalsContact O-N 3.08Å; K157-V194 WeakPolarHBondContact CE-O 3.24Å; K157-V194 PolarHBondContact NZ-O 3.13Å; K157-V197 HydrophobicContact CB-CG1 3.8Å; K157-V197 HydrophobicContact CD-CB 4.04Å; K157-V197 HydrophobicContact CD-CG1 3.94Å; K157-V197 HydrophobicContact CG-CB 4.11Å; K157-V197 HydrophobicContact CG-CG1 3.83Å; K157-V197 PolarHBondContact NZ-O 2.84Å; K157-H267 PolarHBondContact NZ-CE1 3.49Å; K157-H267 PolarHBondContact NZ-ND1 3.35Å; K157-L270 HydrophobicContact CB-CD2 4.47Å; K157-L270 HydrophobicContact CD-CD2 3.84Å; K157-L270 HydrophobicContact CG-CD2 4.2Å |
| 158 | A | 90.2 | Very high | 87.6 | Confident | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -65.2 | -40.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | V37 T39 A49 V154 A155 F161 N162 L274 | V37-A158 HydrophobicContact CG1-CB 3.79Å; T39-A158 HydrophobicContact CG2-CB 4.25Å; A49-A158 HydrophobicContact CB-CB 3.69Å; V154-A158 WeakPolarHBondContact O-CB 3.49Å; V154-A158 PolarHBondContact O-N 2.85Å; A155-A158 PolarHBondContact O-N 3.28Å; A158-F161 PolarHBondContact O-N 2.9Å; A158-N162 PolarHBondContact O-N 3.3Å; A158-L274 HydrophobicContact CB-CD2 3.91Å |
| 159 | A | 91.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.7 | -45.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A49 V60 I62 A155 I156 F161 N162 T163 | A49-A159 HydrophobicContact CB-CB 3.88Å; V60-A159 HydrophobicContact CB-CB 4.22Å; V60-A159 HydrophobicContact CG1-CB 3.83Å; I62-A159 HydrophobicContact CD1-CB 3.52Å; I62-A159 HydrophobicContact CG1-CB 3.89Å; A155-A159 VanDerWaalsContact O-CB 3.27Å; A155-A159 WeakPolarHBondContact O-CB 3.24Å; A155-A159 PolarHBondContact O-N 3.45Å; I156-A159 PolarHBondContact O-N 3.48Å; A159-F161 VanDerWaalsContact C-N 3.27Å; A159-F161 PolarHBondContact O-N 2.96Å; A159-N162 CarbonylContact O-C 3.52Å; A159-N162 PolarHBondContact O-N 3.03Å; A159-N162 VanDerWaalsContact O-N 3.11Å; A159-T163 PolarHBondContact O-N 3.25Å; A159-T163 PolarHBondContact O-OG1 3.44Å |
| 160 | L | 88.9 | Confident | 85.7 | Confident | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.3 | -35.1 | 176.6 | -76.4 | 168.9 | 0 | 0 | 0 | 112.3 | I62 L79 F113 L119 I156 N162 T163 L192 V194 V197 | I62-L160 HydrophobicContact CD1-CB 4.32Å; I62-L160 HydrophobicContact CD1-CD2 3.69Å; I62-L160 HydrophobicContact CD1-CG 3.71Å; L79-L160 HydrophobicContact CD2-CD2 4.44Å; F113-L160 HydrophobicContact CE1-CD1 4.28Å; L119-L160 HydrophobicContact CD1-CD1 4.4Å; L119-L160 HydrophobicContact CD2-CD1 4.41Å; I156-L160 HydrophobicContact CG2-CD1 3.75Å; I156-L160 HydrophobicContact CG2-CG 4.24Å; I156-L160 WeakPolarHBondContact O-CB 3.26Å; I156-L160 VanDerWaalsContact O-CG 3.28Å; I156-L160 WeakPolarHBondContact O-CG 3.41Å; I156-L160 PolarHBondContact O-N 2.91Å; L160-N162 VanDerWaalsContact C-N 3.3Å; L160-T163 WeakPolarHBondContact CA-OG1 3.19Å; L160-T163 PolarHBondContact O-N 3.25Å; L160-L192 HydrophobicContact CD2-CD1 4.23Å; L160-V194 HydrophobicContact CB-CG1 3.91Å; L160-V197 HydrophobicContact CD1-CG1 4.47Å; L160-V197 HydrophobicContact CD1-CG2 4.2Å |
| 161 | F | 88.2 | Confident | 84.6 | Confident | 39 Ų | 39 | 26.7 Ų | 26.7 | 17% | 0.171 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.7 | -35.9 | 176.1 | -178.9 | -101.2 | 0 | 0 | 0 | 112 | K157 A158 A159 V194 L274 E278 | K157-F161 PolarHBondContact O-N 3.03Å; K157-F161 VanDerWaalsContact O-N 3.08Å; A158-F161 PolarHBondContact O-N 2.9Å; A159-F161 VanDerWaalsContact C-N 3.27Å; A159-F161 PolarHBondContact O-N 2.96Å; F161-V194 HydrophobicContact CB-CG1 4.26Å; F161-V194 HydrophobicContact CB-CG2 4.07Å; F161-V194 HydrophobicContact CD2-CG2 3.51Å; F161-V194 HydrophobicContact CE2-CG2 4.44Å; F161-V194 HydrophobicContact CG-CG2 4.26Å; F161-L274 HydrophobicContact CB-CD1 4.06Å; F161-L274 HydrophobicContact CD1-CB 3.73Å; F161-L274 HydrophobicContact CD1-CD1 4.22Å; F161-L274 HydrophobicContact CD1-CD2 4.12Å; F161-L274 HydrophobicContact CD1-CG 4.24Å; F161-L274 HydrophobicContact CE1-CB 3.72Å; F161-L274 HydrophobicContact CG-CB 4.29Å; F161-L274 HydrophobicContact CG-CD1 4.05Å; F161-L274 HydrophobicContact CZ-CB 4.26Å; F161-E278 WeakPolarHBondContact CZ-OE2 3.35Å |
| 162 | N | 86.7 | Confident | 83.2 | Confident | 24 Ų | 24 | 31.2 Ų | 31.2 | 13% | 0.128 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -85.3 | -12.5 | 178.1 | -168.6 | 39.5 | 0 | 0 | 0 | 113.2 | D40 A158 A159 L160 K164 | D40-N162 WeakPolarHBondContact CB-ND2 3.41Å; D40-N162 PolarHBondContact N-ND2 3.11Å; D40-N162 PolarHBondContact OD2-ND2 2.9Å; A158-N162 PolarHBondContact O-N 3.3Å; A159-N162 CarbonylContact O-C 3.52Å; A159-N162 PolarHBondContact O-N 3.03Å; A159-N162 VanDerWaalsContact O-N 3.11Å; L160-N162 VanDerWaalsContact C-N 3.3Å; N162-K164 PolarHBondContact O-N 2.76Å |
| 163 | T | 87 | Confident | 81.5 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | trans | -60.5 | 123.1 | -179.7 | -57.7 | 0 | 0 | 0 | 0 | 111.2 | D46 I62 A159 L160 I165 | D46-T163 HydrophobicContact CB-CG2 4.34Å; D46-T163 WeakPolarHBondContact O-CA 3.31Å; I62-T163 HydrophobicContact CG2-CG2 4.16Å; A159-T163 PolarHBondContact O-N 3.25Å; A159-T163 PolarHBondContact O-OG1 3.44Å; L160-T163 WeakPolarHBondContact CA-OG1 3.19Å; L160-T163 PolarHBondContact O-N 3.25Å; T163-I165 HydrophobicContact CG2-CD1 4.48Å; T163-I165 HydrophobicContact CG2-CG1 3.9Å | ||
| 164 | K | 84.3 | Confident | 79.9 | Confident | 87 Ų | 87 | 45.2 Ų | 45.2 | 38% | 0.378 | 23% | 0.231 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 108.5 | 175 | -72.4 | 169.9 | -164.7 | 158.2 | 0 | 108.6 | D46 N162 C189 | D46-K164 PolarHBondContact O-N 2.89Å; D46-K164 VanDerWaalsContact O-N 3.13Å; N162-K164 PolarHBondContact O-N 2.76Å; K164-C189 HydrophobicContact CB-CB 3.69Å; K164-C189 HydrophobicContact CG-CB 4.19Å |
| 165 | I | 83.8 | Confident | 78.3 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.021 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 123.5 | 179.6 | -55.4 | 176.3 | 0 | 0 | 0 | 107.7 | A64 L124 W133 L135 T163 C189 M190 L192 | A64-I165 HydrophobicContact CB-CG1 4.38Å; L124-I165 HydrophobicContact CD2-CD1 3.47Å; L124-I165 VanDerWaalsContact CD2-CD1 3.47Å; W133-I165 HydrophobicContact CD2-CG2 3.79Å; W133-I165 HydrophobicContact CE3-CG2 4.1Å; W133-I165 HydrophobicContact CG-CG2 4.35Å; W133-I165 HydrophobicContact CH2-CG2 4Å; W133-I165 HydrophobicContact CZ2-CG2 3.68Å; W133-I165 HydrophobicContact CZ3-CG2 4.19Å; L135-I165 HydrophobicContact CD2-CD1 3.94Å; T163-I165 HydrophobicContact CG2-CD1 4.48Å; T163-I165 HydrophobicContact CG2-CG1 3.9Å; I165-C189 CarbonylContact O-C 3.45Å; I165-C189 VanDerWaalsContact O-CA 3.26Å; I165-C189 WeakPolarHBondContact O-CA 3.47Å; I165-M190 PolarHBondContact N-O 3.29Å; I165-M190 PolarHBondContact O-N 3.27Å; I165-L192 HydrophobicContact CD1-CD1 4.02Å; I165-L192 HydrophobicContact CD1-CG 4.25Å |
| 166 | P | 78.7 | Confident | 76.6 | Confident | 38 Ų | 38 | 57.5 Ų | 57.5 | 25% | 0.247 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 141 | 176.2 | 27.2 | -33.5 | 0 | 0 | 0 | 110.2 | W133 L182 | W133-P166 HydrophobicContact CH2-CG 4.02Å; W133-P166 WeakPolarHBondContact CZ2-O 3.21Å; P166-L182 HydrophobicContact CG-CD2 4.26Å |
| 167 | R | 76.8 | Confident | 74.8 | Confident | 120 Ų | 120 | 59.4 Ų | 59.4 | 45% | 0.453 | 33% | 0.325 | S | S | . | . | P | Polyproline II helix | trans | -70.6 | 141.8 | 173.6 | -69.5 | -149.8 | -173 | 124.5 | -4.6 | 110.9 | S183 D188 | R167-S183 PolarHBondContact O-N 2.78Å; R167-D188 WeakPolarHBondContact CD-OD1 3.38Å; R167-D188 WeakPolarHBondContact CG-OD1 3.45Å; R167-D188 IonicContact CZ-OD1 3.78Å; R167-D188 IonicContact CZ-OD2 3.66Å; R167-D188 PolarHBondContact N-O 2.92Å; R167-D188 IonicContact NE-OD1 2.82Å; R167-D188 IonicContact NH1-OD1 2.69Å; R167-D188 PolarHBondContact NH1-OD1 2.84Å; R167-D188 IonicContact NH1-OD2 2.66Å; R167-D188 PolarHBondContact NH1-OD2 3.38Å |
| 168 | V | 75.1 | Confident | 73.4 | Confident | 28 Ų | 28 | 63.2 Ų | 63.2 | 17% | 0.17 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 128 | 177.4 | -96.9 | 0 | 0 | 0 | 0 | 109.1 | I66 I126 W133 I180 L182 | I66-V168 HydrophobicContact CD1-CG1 3.81Å; I126-V168 HydrophobicContact CD1-CG2 3.79Å; I126-V168 HydrophobicContact CG1-CG2 3.74Å; I126-V168 HydrophobicContact CG2-CG2 4.14Å; W133-V168 HydrophobicContact CZ2-CG1 4.03Å; W133-V168 HydrophobicContact CZ2-CG2 3.67Å; V168-I180 HydrophobicContact CB-CG2 3.97Å; V168-I180 HydrophobicContact CG1-CG2 3.28Å; V168-L182 HydrophobicContact CG1-CD2 3.43Å; V168-L182 VanDerWaalsContact CG1-CD2 3.43Å; V168-L182 HydrophobicContact CG1-CG 4.28Å |
| 169 | H | 70.6 | Confident | 72.2 | Confident | 104 Ų | 104 | 69 Ų | 69 | 48% | 0.481 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 132.6 | 169.9 | -68.6 | -77.9 | 0 | 0 | 0 | 108.5 | E181 | H169-E181 HydrophobicContact CB-CB 4.47Å; H169-E181 PolarHBondContact N-O 2.94Å; H169-E181 PolarHBondContact O-N 2.79Å |
| 170 | I | 67.6 | Low | 71.1 | Confident | 62 Ų | 62 | 71.6 Ų | 71.6 | 32% | 0.318 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 112.4 | 175.5 | -49.2 | 171.7 | 0 | 0 | 0 | 106.8 | I126 K178 | I126-I170 HydrophobicContact CG2-CD1 3.47Å; I126-I170 VanDerWaalsContact CG2-CD1 3.47Å; I126-I170 HydrophobicContact CG2-CG1 3.68Å; I126-I170 WeakPolarHBondContact O-CD1 3.26Å; I170-K178 HydrophobicContact CG2-CB 4.2Å; I170-K178 HydrophobicContact CG2-CD 4.45Å; I170-K178 HydrophobicContact CG2-CG 4.32Å |
| 171 | S | 66.9 | Low | 70.1 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 35% | 0.35 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 119 | 168.7 | -67.9 | 0 | 0 | 0 | 0 | 106.8 | E179 E181 | S171-E179 PolarHBondContact N-O 2.87Å; S171-E179 PolarHBondContact O-N 2.74Å; S171-E181 PolarHBondContact OG-OE2 2.8Å |
| 172 | S | 61.5 | Low | 69.3 | Low | 96 Ų | 96 | 79.2 Ų | 79.2 | 67% | 0.671 | 42% | 0.421 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 114.6 | 176.6 | -58.2 | 0 | 0 | 0 | 0 | 107.9 | ||
| 173 | D | 57.8 | Low | 68.4 | Low | 94 Ų | 94 | 79.4 Ų | 79.4 | 50% | 0.503 | 42% | 0.424 | S | S | . | . | trans | -79.1 | 152.6 | 174.9 | -151.3 | -98.4 | 0 | 0 | 0 | 110.6 | E175 G176 G177 | D173-E175 PolarHBondContact O-N 3.21Å; D173-G176 PolarHBondContact O-N 3.32Å; D173-G177 PolarHBondContact N-O 2.7Å; D173-G177 VanDerWaalsContact N-O 3.09Å | ||
| 174 | E | 56.3 | Low | 67.1 | Low | 203 Ų | 203 | 87.2 Ų | 87.2 | 95% | 0.949 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -13.9 | -173.2 | -61.1 | -165.9 | 124.3 | 0 | 0 | 113 | ||
| 175 | E | 57.9 | Low | 66.3 | Low | 191 Ų | 191 | 88.1 Ų | 88.1 | 89% | 0.893 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 7.1 | 174.4 | -78.7 | 179 | 56.6 | 0 | 0 | 114.9 | D173 G177 | D173-E175 PolarHBondContact O-N 3.21Å; E175-G177 VanDerWaalsContact C-N 3.35Å |
| 176 | G | 56.6 | Low | 65.4 | Low | 66 Ų | 66 | 92.7 Ų | 92.7 | 68% | 0.68 | 51% | 0.505 | S | S | * | . | S | Bend | trans | 82 | 8.9 | 174 | 0 | 0 | 0 | 0 | 0 | 115 | D173 | D173-G176 PolarHBondContact O-N 3.32Š|
| 177 | G | 55.3 | Low | 64.8 | Low | 40 Ų | 40 | 99.8 Ų | 99.8 | 41% | 0.412 | 53% | 0.528 | S | S | . | . | trans | -77.3 | 123.2 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110 | D173 E175 | D173-G177 PolarHBondContact N-O 2.7Å; D173-G177 VanDerWaalsContact N-O 3.09Å; E175-G177 VanDerWaalsContact C-N 3.35Å | ||
| 178 | K | 60.7 | Low | 64.3 | Low | 82 Ų | 82 | 96.5 Ų | 96.5 | 36% | 0.357 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 114.2 | 169.7 | -69.4 | 177.1 | -175.9 | 167.6 | 0 | 108.2 | E130 I170 | E130-K178 WeakPolarHBondContact OE2-CE 3.31Å; E130-K178 IonicContact OE2-NZ 2.96Å; E130-K178 PolarHBondContact OE2-NZ 3.03Å; I170-K178 HydrophobicContact CG2-CB 4.2Å; I170-K178 HydrophobicContact CG2-CD 4.45Å; I170-K178 HydrophobicContact CG2-CG 4.32Å |
| 179 | E | 63.6 | Low | 64.1 | Low | 120 Ų | 120 | 97 Ų | 97 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 130.6 | 172 | -63.5 | -169.4 | 133.5 | 0 | 0 | 108.9 | S171 | S171-E179 PolarHBondContact N-O 2.87Å; S171-E179 PolarHBondContact O-N 2.74Å |
| 180 | I | 68.6 | Low | 64.3 | Low | 55 Ų | 55 | 95.4 Ų | 95.4 | 28% | 0.282 | 52% | 0.517 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 104.7 | 178.8 | -56.5 | 175.4 | 0 | 0 | 0 | 106.8 | I66 H131 V168 | I66-I180 HydrophobicContact CD1-CD1 4.4Å; I66-I180 HydrophobicContact CD1-CG2 3.91Å; I66-I180 HydrophobicContact CG2-CD1 3.99Å; H131-I180 HydrophobicContact CB-CD1 4.37Å; V168-I180 HydrophobicContact CB-CG2 3.97Å; V168-I180 HydrophobicContact CG1-CG2 3.28Å |
| 181 | E | 69.3 | Low | 64.9 | Low | 103 Ų | 103 | 98.2 Ų | 98.2 | 48% | 0.481 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 116.8 | 174.3 | -65.8 | -180 | 138.6 | 0 | 0 | 108.4 | H169 S171 | H169-E181 HydrophobicContact CB-CB 4.47Å; H169-E181 PolarHBondContact N-O 2.94Å; H169-E181 PolarHBondContact O-N 2.79Å; S171-E181 PolarHBondContact OG-OE2 2.8Å |
| 182 | L | 69.4 | Low | 65.4 | Low | 97 Ų | 97 | 96.6 Ų | 96.6 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.7 | 134.2 | 170.1 | -70.2 | 165.6 | 0 | 0 | 0 | 108.1 | P166 V168 D184 | P166-L182 HydrophobicContact CG-CD2 4.26Å; V168-L182 HydrophobicContact CG1-CD2 3.43Å; V168-L182 VanDerWaalsContact CG1-CD2 3.43Å; V168-L182 HydrophobicContact CG1-CG 4.28Å; L182-D184 PolarHBondContact O-N 2.75Å |
| 183 | S | 67.8 | Low | 66.1 | Low | 28 Ų | 28 | 96 Ų | 96 | 20% | 0.196 | 50% | 0.501 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 124 | 170.3 | -171.8 | 0 | 0 | 0 | 0 | 109.4 | R167 D185 | R167-S183 PolarHBondContact O-N 2.78Å; S183-D185 PolarHBondContact O-N 2.98Å |
| 184 | D | 60.2 | Low | 67 | Low | 164 Ų | 164 | 91.8 Ų | 91.8 | 88% | 0.877 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -70.8 | -8.2 | 176.6 | -84 | -54.9 | 0 | 0 | 0 | 112.7 | L182 P186 | L182-D184 PolarHBondContact O-N 2.75Å; D184-P186 WeakPolarHBondContact O-CD 3.15Å |
| 185 | D | 67.4 | Low | 68 | Low | 105 Ų | 105 | 87.3 Ų | 87.3 | 56% | 0.561 | 46% | 0.457 | S | S | * | . | trans | -78.1 | 111.2 | 178.7 | -80.2 | -72.8 | 0 | 0 | 0 | 111.5 | S183 Y187 D188 | S183-D185 PolarHBondContact O-N 2.98Å; D185-Y187 PolarHBondContact O-N 2.77Å; D185-D188 HydrophobicContact CB-CB 4.05Å; D185-D188 PolarHBondContact O-N 2.86Å; D185-D188 VanDerWaalsContact O-N 3.13Å | ||
| 186 | P | 64.7 | Low | 69.1 | Low | 101 Ų | 101 | 79.7 Ų | 79.7 | 66% | 0.656 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -1.7 | 179.8 | 30.7 | -36.6 | 0 | 0 | 0 | 113.5 | D184 | D184-P186 WeakPolarHBondContact O-CD 3.15Š|
| 187 | Y | 67.9 | Low | 70.5 | Confident | 187 Ų | 187 | 76.6 Ų | 76.6 | 73% | 0.733 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -16.3 | 177.8 | -64.2 | -79.7 | 0 | 0 | 0 | 112.9 | D185 C189 | D185-Y187 PolarHBondContact O-N 2.77Å; Y187-C189 PolarHBondContact O-N 2.79Å |
| 188 | D | 65.8 | Low | 72 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 27% | 0.267 | 37% | 0.371 | S | S | . | . | trans | -87.6 | 66.6 | 176.1 | -158.9 | -113.9 | 0 | 0 | 0 | 110 | R167 D185 | R167-D188 WeakPolarHBondContact CD-OD1 3.38Å; R167-D188 WeakPolarHBondContact CG-OD1 3.45Å; R167-D188 IonicContact CZ-OD1 3.78Å; R167-D188 IonicContact CZ-OD2 3.66Å; R167-D188 PolarHBondContact N-O 2.92Å; R167-D188 IonicContact NE-OD1 2.82Å; R167-D188 IonicContact NH1-OD1 2.69Å; R167-D188 PolarHBondContact NH1-OD1 2.84Å; R167-D188 IonicContact NH1-OD2 2.66Å; R167-D188 PolarHBondContact NH1-OD2 3.38Å; D185-D188 HydrophobicContact CB-CB 4.05Å; D185-D188 PolarHBondContact O-N 2.86Å; D185-D188 VanDerWaalsContact O-N 3.13Å | ||
| 189 | C | 69.6 | Low | 73.3 | Confident | 38 Ų | 38 | 70.8 Ų | 70.8 | 26% | 0.257 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.1 | 176.7 | -54.1 | 0 | 0 | 0 | 0 | 110.4 | K164 I165 Y187 | K164-C189 HydrophobicContact CB-CB 3.69Å; K164-C189 HydrophobicContact CG-CB 4.19Å; I165-C189 CarbonylContact O-C 3.45Å; I165-C189 VanDerWaalsContact O-CA 3.26Å; I165-C189 WeakPolarHBondContact O-CA 3.47Å; Y187-C189 PolarHBondContact O-N 2.79Å |
| 190 | M | 75.3 | Confident | 74.6 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 35% | 0.35 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 133.6 | 166.8 | -175.2 | 164.5 | -169.2 | 0 | 0 | 109.9 | I165 | I165-M190 PolarHBondContact N-O 3.29Å; I165-M190 PolarHBondContact O-N 3.27Å |
| 191 | R | 79.4 | Confident | 75.7 | Confident | 121 Ų | 121 | 62.6 Ų | 62.6 | 46% | 0.457 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 145.3 | 170.9 | -64.4 | -173.7 | -176.1 | -177.1 | 3.6 | 109.9 | E278 | R191-E278 IonicContact CZ-OE1 2.69Å; R191-E278 VanDerWaalsContact CZ-OE1 3.23Å; R191-E278 IonicContact NH1-OE1 2.79Å; R191-E278 PolarHBondContact NH1-OE1 2.88Å; R191-E278 IonicContact NH1-OE2 2.7Å; R191-E278 PolarHBondContact NH1-OE2 2.79Å; R191-E278 IonicContact NH2-OE1 3.61Å; R191-E278 PolarHBondContact NH2-OE1 2.88Å |
| 192 | L | 78.1 | Confident | 76.8 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 8% | 0.084 | 30% | 0.295 | C | S | . | . | trans | -83.6 | 143.1 | 174.9 | -72.7 | 160.3 | 0 | 0 | 0 | 110.5 | L124 L135 L160 I165 V194 | L124-L192 HydrophobicContact CD1-CD2 4.37Å; L124-L192 HydrophobicContact CD2-CD2 4.09Å; L124-L192 HydrophobicContact CG-CD2 4.24Å; L135-L192 HydrophobicContact CD1-CD1 3.69Å; L160-L192 HydrophobicContact CD2-CD1 4.23Å; I165-L192 HydrophobicContact CD1-CD1 4.02Å; I165-L192 HydrophobicContact CD1-CG 4.25Å; L192-V194 PolarHBondContact O-N 3.32Å | ||
| 193 | D | 75.7 | Confident | 77.9 | Confident | 85 Ų | 85 | 53.6 Ų | 53.6 | 46% | 0.455 | 27% | 0.271 | S | S | . | . | trans | -75.8 | 119.5 | 169.7 | -168.9 | -80.3 | 0 | 0 | 0 | 109.8 | E195 | D193-E195 WeakPolarHBondContact OD1-CB 3.41Å; D193-E195 WeakPolarHBondContact OD1-CG 3.32Å; D193-E195 PolarHBondContact OD1-N 3.49Å | ||
| 194 | V | 78.1 | Confident | 79 | Confident | 4 Ų | 4 | 52.3 Ų | 52.3 | 2% | 0.024 | 26% | 0.262 | C | S | . | . | trans | -107.2 | 8.7 | -177.8 | -57.7 | 0 | 0 | 0 | 0 | 113.6 | K157 L160 F161 L192 N196 V197 M271 | K157-V194 WeakPolarHBondContact CE-O 3.24Å; K157-V194 PolarHBondContact NZ-O 3.13Å; L160-V194 HydrophobicContact CB-CG1 3.91Å; F161-V194 HydrophobicContact CB-CG1 4.26Å; F161-V194 HydrophobicContact CB-CG2 4.07Å; F161-V194 HydrophobicContact CD2-CG2 3.51Å; F161-V194 HydrophobicContact CE2-CG2 4.44Å; F161-V194 HydrophobicContact CG-CG2 4.26Å; L192-V194 PolarHBondContact O-N 3.32Å; V194-N196 VanDerWaalsContact C-N 3.26Å; V194-N196 PolarHBondContact O-N 3.27Å; V194-V197 HydrophobicContact CB-CG2 3.98Å; V194-V197 HydrophobicContact CG1-CG2 4.35Å; V194-V197 PolarHBondContact O-N 2.85Å; V194-M271 HydrophobicContact CG2-CE 4.3Å; V194-M271 HydrophobicContact CG2-SD 4.29Å | ||
| 195 | E | 76.4 | Confident | 80.5 | Confident | 109 Ų | 109 | 45 Ų | 45 | 51% | 0.509 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61 | -42.4 | -175.3 | -63.6 | -166.5 | 103.2 | 0 | 0 | 110.1 | D193 H232 | D193-E195 WeakPolarHBondContact OD1-CB 3.41Å; D193-E195 WeakPolarHBondContact OD1-CG 3.32Å; D193-E195 PolarHBondContact OD1-N 3.49Å; E195-H232 PolarHBondContact O-ND1 3.03Å |
| 196 | N | 81.9 | Confident | 81.5 | Confident | 32 Ų | 32 | 40.1 Ų | 40.1 | 17% | 0.171 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.5 | -0.2 | -177.8 | -66.4 | -48.4 | 0 | 0 | 0 | 115 | H117 V194 P198 H232 | H117-N196 PolarHBondContact CE1-OD1 3.31Å; H117-N196 WeakPolarHBondContact O-CB 3.24Å; V194-N196 VanDerWaalsContact C-N 3.26Å; V194-N196 PolarHBondContact O-N 3.27Å; N196-P198 WeakPolarHBondContact O-CD 3.47Å; N196-H232 PolarHBondContact OD1-CE1 2.8Å; N196-H232 PolarHBondContact OD1-ND1 3.49Å |
| 197 | V | 84.7 | Confident | 82.5 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.179 | C | C | . | . | P | Polyproline II helix | trans | -62.7 | 121.7 | 177.9 | 174 | 0 | 0 | 0 | 0 | 109.2 | F113 L119 K157 L160 V194 H267 | F113-V197 HydrophobicContact CE1-CG1 3.96Å; F113-V197 HydrophobicContact CZ-CG1 4.28Å; L119-V197 HydrophobicContact CD2-CG2 3.7Å; L119-V197 HydrophobicContact CG-CG2 4.4Å; K157-V197 HydrophobicContact CB-CG1 3.8Å; K157-V197 HydrophobicContact CD-CB 4.04Å; K157-V197 HydrophobicContact CD-CG1 3.94Å; K157-V197 HydrophobicContact CG-CB 4.11Å; K157-V197 HydrophobicContact CG-CG1 3.83Å; K157-V197 PolarHBondContact NZ-O 2.84Å; L160-V197 HydrophobicContact CD1-CG1 4.47Å; L160-V197 HydrophobicContact CD1-CG2 4.2Å; V194-V197 HydrophobicContact CB-CG2 3.98Å; V194-V197 HydrophobicContact CG1-CG2 4.35Å; V194-V197 PolarHBondContact O-N 2.85Å; V197-H267 PolarHBondContact O-CE1 2.79Å; V197-H267 VanDerWaalsContact O-CE1 3.24Å |
| 198 | P | 87.1 | Confident | 83.3 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.006 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -76.5 | 147.1 | -177.6 | 31.8 | -35.9 | 0 | 0 | 0 | 111.8 | V112 N196 V230 T231 | V112-P198 HydrophobicContact CG1-CB 4.23Å; V112-P198 HydrophobicContact CG1-CG 3.35Å; N196-P198 WeakPolarHBondContact O-CD 3.47Å; P198-V230 WeakPolarHBondContact CA-O 3.48Å; P198-T231 HydrophobicContact CB-CG2 4.12Å |
| 199 | C | 87.9 | Confident | 84.3 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 143.9 | 167.4 | -70.2 | 0 | 0 | 0 | 0 | 109.2 | S229 V230 L266 H267 | C199-S229 CarbonylContact O-C 3.6Å; C199-S229 WeakPolarHBondContact O-CA 3.46Å; C199-V230 PolarHBondContact N-O 2.84Å; C199-V230 PolarHBondContact O-N 3.21Å; C199-L266 HydrophobicContact CB-CD2 4.21Å; C199-H267 PolarHBondContact SG-CE1 2.86Å |
| 200 | I | 91.4 | Very high | 85.3 | Confident | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 119 | -179.2 | -60.6 | 174.2 | 0 | 0 | 0 | 108.7 | L109 V112 D150 S153 I227 I228 | L109-I200 HydrophobicContact CD2-CD1 4.17Å; V112-I200 HydrophobicContact CG2-CD1 4.07Å; V112-I200 HydrophobicContact CG2-CG1 4.32Å; D150-I200 WeakPolarHBondContact CA-O 3.36Å; D150-I200 WeakPolarHBondContact CB-O 3.43Å; S153-I200 PolarHBondContact OG-N 3.36Å; I200-I227 HydrophobicContact CG2-CG2 3.24Å; I200-I228 CarbonylContact C-O 3.59Å; I200-I228 WeakPolarHBondContact CA-O 3.5Å |
| 201 | V | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 127.7 | 173 | 179.4 | 0 | 0 | 0 | 0 | 108.7 | L203 V212 I228 V262 | V201-L203 HydrophobicContact CG1-CD1 3.88Å; V201-L203 HydrophobicContact CG1-CG 4.32Å; V201-V212 HydrophobicContact CG1-CG1 4.2Å; V201-I228 PolarHBondContact N-O 2.81Å; V201-I228 PolarHBondContact O-N 3.04Å; V201-V262 HydrophobicContact CG1-CB 4.34Å; V201-V262 HydrophobicContact CG1-CG1 3.81Å; V201-V262 HydrophobicContact CG2-CG1 3.9Å |
| 202 | T | 92.1 | Very high | 86.6 | Confident | 11 Ų | 11 | 30 Ų | 30 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 120.9 | 175 | -53.1 | 0 | 0 | 0 | 0 | 109.8 | N147 I227 | N147-T202 PolarHBondContact OD1-OG1 3.1Å; T202-I227 HydrophobicContact CG2-CG1 4.43Å |
| 203 | L | 92.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 122.7 | 173.8 | -61.8 | 101.1 | 0 | 0 | 0 | 110 | V201 V211 V212 S225 L226 I228 M255 T258 | V201-L203 HydrophobicContact CG1-CD1 3.88Å; V201-L203 HydrophobicContact CG1-CG 4.32Å; L203-V211 CarbonylContact C-O 3.33Å; L203-V211 WeakPolarHBondContact CA-O 3.36Å; L203-V212 HydrophobicContact CD2-CG2 4.13Å; L203-V212 HydrophobicContact CG-CG2 4.26Å; L203-S225 CarbonylContact O-C 3.58Å; L203-S225 VanDerWaalsContact O-CA 3.26Å; L203-S225 WeakPolarHBondContact O-CA 3.43Å; L203-L226 PolarHBondContact N-O 2.75Å; L203-L226 PolarHBondContact O-N 3.07Å; L203-I228 HydrophobicContact CD1-CD1 3.75Å; L203-I228 HydrophobicContact CD1-CG1 4.08Å; L203-M255 HydrophobicContact CB-CE 4.16Å; L203-M255 HydrophobicContact CB-CG 4.4Å; L203-M255 HydrophobicContact CD2-CB 4.14Å; L203-M255 HydrophobicContact CD2-CG 4.31Å; L203-M255 WeakPolarHBondContact CD2-O 3.48Å; L203-T258 HydrophobicContact CD2-CG2 3.93Å |
| 204 | C | 91.6 | Very high | 87.7 | Confident | 2 Ų | 2 | 25.4 Ų | 25.4 | 1% | 0.014 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 130.3 | 176.5 | -65.9 | 0 | 0 | 0 | 0 | 110 | H210 V211 A214 S225 | C204-H210 CarbonylContact O-C 3.55Å; C204-H210 WeakPolarHBondContact O-CA 3.34Å; C204-V211 PolarHBondContact N-O 3.45Å; C204-V211 PolarHBondContact O-N 3Å; C204-A214 HydrophobicContact CB-CB 3.77Å; C204-A214 WeakPolarHBondContact SG-CB 3.23Å; C204-S225 PolarHBondContact SG-OG 3.23Å |
| 205 | K | 90.7 | Very high | 88.2 | Confident | 11 Ų | 11 | 25.6 Ų | 25.6 | 5% | 0.048 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 118.6 | 172.3 | -173.3 | 165.5 | -178.6 | 158.8 | 0 | 109.4 | G207 S222 V223 A224 L247 D248 S251 M255 | K205-G207 WeakPolarHBondContact CE-O 3.4Å; K205-S222 WeakPolarHBondContact O-CA 3.38Å; K205-S222 WeakPolarHBondContact O-CB 3.5Å; K205-V223 PolarHBondContact O-N 2.82Å; K205-V223 VanDerWaalsContact O-N 3.15Å; K205-A224 PolarHBondContact N-O 2.83Å; K205-L247 HydrophobicContact CB-CD1 3.88Å; K205-L247 HydrophobicContact CD-CD1 3.61Å; K205-L247 HydrophobicContact CD-CG 4.25Å; K205-L247 HydrophobicContact CG-CD1 4.34Å; K205-D248 IonicContact NZ-OD2 3.58Å; K205-D248 PolarHBondContact NZ-OD2 3.02Å; K205-S251 PolarHBondContact NZ-OG 3.07Å; K205-M255 HydrophobicContact CB-CE 3.61Å; K205-M255 HydrophobicContact CG-CE 4.48Å |
| 206 | I | 88.9 | Confident | 88.7 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 109.3 | 175.6 | -58.2 | 167.8 | 0 | 0 | 0 | 107.3 | L15 I18 H208 R209 V211 E218 C221 | L15-I206 HydrophobicContact CD2-CG2 4Å; L15-I206 HydrophobicContact CG-CG2 4.04Å; I18-I206 HydrophobicContact CD1-CB 3.85Å; I18-I206 HydrophobicContact CD1-CD1 3.44Å; I18-I206 VanDerWaalsContact CD1-CD1 3.44Å; I18-I206 HydrophobicContact CD1-CG1 4.22Å; I18-I206 HydrophobicContact CD1-CG2 3.56Å; I206-H208 PolarHBondContact O-N 2.85Å; I206-R209 PolarHBondContact N-O 3.24Å; I206-R209 PolarHBondContact O-N 3.21Å; I206-R209 VanDerWaalsContact O-O 3.08Å; I206-V211 HydrophobicContact CD1-CB 4.46Å; I206-V211 HydrophobicContact CD1-CG2 4.26Å; I206-E218 HydrophobicContact CD1-CB 3.74Å; I206-E218 HydrophobicContact CD1-CG 4.33Å; I206-E218 WeakPolarHBondContact CD1-O 3.28Å; I206-C221 HydrophobicContact CG2-CB 4.49Å |
| 207 | G | 85.5 | Confident | 88.9 | Confident | 28 Ų | 28 | 25 Ų | 25 | 29% | 0.289 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | -122.7 | -170.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | K205 | K205-G207 WeakPolarHBondContact CE-O 3.4Š|
| 208 | H | 84.2 | Confident | 89.1 | Confident | 183 Ų | 183 | 25.2 Ų | 25.2 | 85% | 0.847 | 12% | 0.123 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.8 | -8.2 | 178.8 | -70.7 | -80.2 | 0 | 0 | 0 | 114 | I206 | I206-H208 PolarHBondContact O-N 2.85Š|
| 209 | R | 87.8 | Confident | 89.1 | Confident | 120 Ų | 120 | 27.9 Ų | 27.9 | 45% | 0.453 | 14% | 0.135 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 157.8 | -178.5 | -153.2 | 67.2 | 171.3 | 168.3 | 1.1 | 110.5 | I18 I206 | I18-R209 HydrophobicContact CG2-CB 3.82Å; I18-R209 HydrophobicContact CG2-CG 4.31Å; I206-R209 PolarHBondContact N-O 3.24Å; I206-R209 PolarHBondContact O-N 3.21Å; I206-R209 VanDerWaalsContact O-O 3.08Å |
| 210 | H | 90.2 | Very high | 89 | Confident | 23 Ų | 23 | 30.1 Ų | 30.1 | 11% | 0.106 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 140.9 | 170.8 | 56.3 | -93.6 | 0 | 0 | 0 | 109.4 | C204 M255 T258 | C204-H210 CarbonylContact O-C 3.55Å; C204-H210 WeakPolarHBondContact O-CA 3.34Å; H210-M255 HydrophobicContact CB-CE 3.51Å; H210-M255 HydrophobicContact CB-CG 3.86Å; H210-T258 PolarHBondContact NE2-OG1 3.01Å |
| 211 | V | 91.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.1 | -178.9 | 179 | 0 | 0 | 0 | 0 | 108.8 | I18 C29 L203 C204 I206 | I18-V211 HydrophobicContact CD1-CG2 4.08Å; I18-V211 HydrophobicContact CG1-CG2 4.16Å; I18-V211 HydrophobicContact CG2-CG2 3.63Å; C29-V211 HydrophobicContact CB-CG2 4.38Å; C29-V211 WeakPolarHBondContact O-CA 3.39Å; L203-V211 CarbonylContact C-O 3.33Å; L203-V211 WeakPolarHBondContact CA-O 3.36Å; C204-V211 PolarHBondContact N-O 3.45Å; C204-V211 PolarHBondContact O-N 3Å; I206-V211 HydrophobicContact CD1-CB 4.46Å; I206-V211 HydrophobicContact CD1-CG2 4.26Å |
| 212 | V | 90.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 147.9 | 173 | -175.2 | 0 | 0 | 0 | 0 | 109 | R23 C29 Y32 V201 L203 T258 V262 | R23-V212 PolarHBondContact NH1-O 3.05Å; C29-V212 PolarHBondContact O-N 3Å; Y32-V212 HydrophobicContact CD2-CG1 4.12Å; Y32-V212 HydrophobicContact CE1-CG1 4.26Å; Y32-V212 HydrophobicContact CE2-CB 4.48Å; Y32-V212 HydrophobicContact CE2-CG1 3.24Å; Y32-V212 WeakPolarHBondContact OH-CG1 3.48Å; V201-V212 HydrophobicContact CG1-CG1 4.2Å; L203-V212 HydrophobicContact CD2-CG2 4.13Å; L203-V212 HydrophobicContact CG-CG2 4.26Å; V212-T258 HydrophobicContact CG2-CG2 4.33Å; V212-V262 HydrophobicContact CG1-CG1 4.28Å; V212-V262 HydrophobicContact CG2-CG2 4.31Å |
| 213 | D | 89.2 | Confident | 88.2 | Confident | 1 Ų | 1 | 35.2 Ų | 35.2 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | S | Bend | trans | 55.4 | 54.2 | -178.2 | -176 | -116.3 | 0 | 0 | 0 | 112.7 | R23 R27 Y32 R33 N147 T215 | R23-D213 PolarHBondContact NH2-O 3.25Å; R27-D213 IonicContact CZ-OD1 3.86Å; R27-D213 IonicContact NH1-OD1 3.05Å; R27-D213 PolarHBondContact NH1-OD1 3.35Å; R27-D213 IonicContact NH2-OD1 3.8Å; Y32-D213 HydrophobicContact CD1-CB 3.89Å; Y32-D213 HydrophobicContact CE1-CB 4.02Å; Y32-D213 HydrophobicContact CG-CB 4.43Å; R33-D213 WeakPolarHBondContact CG-OD1 3.32Å; R33-D213 IonicContact CZ-OD1 3.23Å; R33-D213 IonicContact NE-OD1 3.35Å; R33-D213 PolarHBondContact NE-OD1 2.96Å; R33-D213 IonicContact NH2-OD1 2.87Å; N147-D213 WeakPolarHBondContact CB-OD2 3.44Å; N147-D213 PolarHBondContact ND2-OD2 3.11Å; D213-T215 PolarHBondContact O-N 3.23Å |
| 214 | A | 87.8 | Confident | 88.1 | Confident | 4 Ų | 4 | 35.2 Ų | 35.2 | 3% | 0.033 | 19% | 0.186 | C | C | . | . | trans | -65 | 130.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | C204 E218 | C204-A214 HydrophobicContact CB-CB 3.77Å; C204-A214 WeakPolarHBondContact SG-CB 3.23Å; A214-E218 WeakPolarHBondContact CA-OE2 3.5Å; A214-E218 HydrophobicContact CB-CB 4.11Å | ||
| 215 | T | 88 | Confident | 88 | Confident | 9 Ų | 9 | 35.5 Ų | 35.5 | 6% | 0.055 | 19% | 0.188 | C | C | . | . | trans | -64.8 | 165.9 | 169.3 | 65.8 | 0 | 0 | 0 | 0 | 110.2 | D213 Q217 E218 K219 | D213-T215 PolarHBondContact O-N 3.23Å; T215-Q217 PolarHBondContact O-N 3.37Å; T215-E218 PolarHBondContact N-OE2 3.31Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CB 3.44Å; T215-E218 VanDerWaalsContact OG1-CG 3.31Å; T215-E218 WeakPolarHBondContact OG1-CG 3.41Å; T215-E218 PolarHBondContact OG1-N 3.08Å; T215-E218 PolarHBondContact OG1-OE2 2.93Å; T215-K219 VanDerWaalsContact O-CB 3.31Å; T215-K219 WeakPolarHBondContact O-CB 3.46Å; T215-K219 PolarHBondContact O-N 3.24Å | ||
| 216 | L | 86.3 | Confident | 88 | Confident | 44 Ų | 44 | 35.4 Ų | 35.4 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.9 | -39.3 | 175 | -70.2 | 176 | 0 | 0 | 0 | 112.4 | V4 K219 A220 | V4-L216 HydrophobicContact CG2-CB 4.08Å; V4-L216 HydrophobicContact CG2-CD1 4.35Å; L216-K219 PolarHBondContact O-N 3.15Å; L216-A220 WeakPolarHBondContact O-CB 3.49Å; L216-A220 PolarHBondContact O-N 2.84Å |
| 217 | Q | 87.8 | Confident | 88.2 | Confident | 85 Ų | 85 | 35.7 Ų | 35.7 | 40% | 0.397 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -64.7 | -46.5 | 178.2 | -65.4 | 169.3 | -28.2 | 0 | 0 | 111.4 | V4 V6 I14 T215 A220 C221 | V4-Q217 HydrophobicContact CG1-CG 4.3Å; V6-Q217 HydrophobicContact CG2-CB 4.44Å; I14-Q217 HydrophobicContact CD1-CB 4.2Å; T215-Q217 PolarHBondContact O-N 3.37Å; Q217-A220 WeakPolarHBondContact O-CB 3.29Å; Q217-A220 PolarHBondContact O-N 3.34Å; Q217-C221 PolarHBondContact O-N 3.13Å; Q217-C221 PolarHBondContact O-SG 3.17Å |
| 218 | E | 88.2 | Confident | 88.5 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 1% | 0.014 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.4 | -39.8 | 176.8 | -73.1 | 170 | 162.2 | 0 | 0 | 111.8 | I14 R23 I206 A214 T215 A220 C221 S222 | I14-E218 HydrophobicContact CG2-CG 3.99Å; R23-E218 IonicContact CZ-OE1 3.89Å; R23-E218 IonicContact CZ-OE2 2.73Å; R23-E218 IonicContact NE-OE1 3Å; R23-E218 PolarHBondContact NE-OE1 3.15Å; R23-E218 IonicContact NE-OE2 2.81Å; R23-E218 IonicContact NH2-OE1 3.94Å; R23-E218 PolarHBondContact NH2-OE1 3.32Å; R23-E218 IonicContact NH2-OE2 3.73Å; R23-E218 PolarHBondContact NH2-OE2 3.43Å; I206-E218 HydrophobicContact CD1-CB 3.74Å; I206-E218 HydrophobicContact CD1-CG 4.33Å; I206-E218 WeakPolarHBondContact CD1-O 3.28Å; A214-E218 WeakPolarHBondContact CA-OE2 3.5Å; A214-E218 HydrophobicContact CB-CB 4.11Å; T215-E218 PolarHBondContact N-OE2 3.31Å; T215-E218 PolarHBondContact O-N 2.87Å; T215-E218 WeakPolarHBondContact OG1-CB 3.44Å; T215-E218 VanDerWaalsContact OG1-CG 3.31Å; T215-E218 WeakPolarHBondContact OG1-CG 3.41Å; T215-E218 PolarHBondContact OG1-N 3.08Å; T215-E218 PolarHBondContact OG1-OE2 2.93Å; E218-A220 VanDerWaalsContact C-N 3.3Å; E218-A220 PolarHBondContact O-N 2.75Å; E218-C221 CarbonylContact O-C 3.59Å; E218-C221 WeakPolarHBondContact O-CA 3.36Å; E218-C221 WeakPolarHBondContact O-CB 3.3Å; E218-C221 PolarHBondContact O-N 2.92Å; E218-S222 PolarHBondContact O-N 3.17Å |
| 219 | K | 86.9 | Confident | 88.8 | Confident | 58 Ų | 58 | 25.7 Ų | 25.7 | 25% | 0.252 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -62.1 | -38.5 | 175.1 | -171.4 | 176.5 | -178.5 | 177.4 | 0 | 111.6 | T215 L216 C221 S222 | T215-K219 VanDerWaalsContact O-CB 3.31Å; T215-K219 WeakPolarHBondContact O-CB 3.46Å; T215-K219 PolarHBondContact O-N 3.24Å; L216-K219 PolarHBondContact O-N 3.15Å; K219-C221 PolarHBondContact O-N 3.26Å; K219-S222 WeakPolarHBondContact O-CB 3.46Å; K219-S222 PolarHBondContact O-N 2.97Å; K219-S222 VanDerWaalsContact O-N 3.13Å; K219-S222 PolarHBondContact O-OG 2.87Å |
| 220 | A | 86.4 | Confident | 88.9 | Confident | 47 Ų | 47 | 20 Ų | 20 | 39% | 0.388 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -66 | -26.8 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | V6 L216 Q217 E218 | V6-A220 HydrophobicContact CG2-CB 3.93Å; L216-A220 WeakPolarHBondContact O-CB 3.49Å; L216-A220 PolarHBondContact O-N 2.84Å; Q217-A220 WeakPolarHBondContact O-CB 3.29Å; Q217-A220 PolarHBondContact O-N 3.34Å; E218-A220 VanDerWaalsContact C-N 3.3Å; E218-A220 PolarHBondContact O-N 2.75Å |
| 221 | C | 86 | Confident | 88.8 | Confident | 21 Ų | 21 | 19.3 Ų | 19.3 | 14% | 0.142 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -83.6 | -17.1 | 173.2 | -56.9 | 0 | 0 | 0 | 0 | 113 | I206 Q217 E218 K219 | I206-C221 HydrophobicContact CG2-CB 4.49Å; Q217-C221 PolarHBondContact O-N 3.13Å; Q217-C221 PolarHBondContact O-SG 3.17Å; E218-C221 CarbonylContact O-C 3.59Å; E218-C221 WeakPolarHBondContact O-CA 3.36Å; E218-C221 WeakPolarHBondContact O-CB 3.3Å; E218-C221 PolarHBondContact O-N 2.92Å; K219-C221 PolarHBondContact O-N 3.26Å |
| 222 | S | 86.3 | Confident | 88.4 | Confident | 25 Ų | 25 | 22.6 Ų | 22.6 | 18% | 0.175 | 13% | 0.127 | C | C | . | . | trans | -75.5 | 141.9 | -174.8 | 77.6 | 0 | 0 | 0 | 0 | 112.5 | K205 E218 K219 | K205-S222 WeakPolarHBondContact O-CA 3.38Å; K205-S222 WeakPolarHBondContact O-CB 3.5Å; E218-S222 PolarHBondContact O-N 3.17Å; K219-S222 WeakPolarHBondContact O-CB 3.46Å; K219-S222 PolarHBondContact O-N 2.97Å; K219-S222 VanDerWaalsContact O-N 3.13Å; K219-S222 PolarHBondContact O-OG 2.87Å | ||
| 223 | V | 86.6 | Confident | 88 | Confident | 74 Ų | 74 | 27.6 Ų | 27.6 | 45% | 0.448 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -82.9 | -39.5 | 177.4 | -124.6 | 0 | 0 | 0 | 0 | 110.7 | K205 G245 | K205-V223 PolarHBondContact O-N 2.82Å; K205-V223 VanDerWaalsContact O-N 3.15Å; V223-G245 VanDerWaalsContact O-CA 3.24Å; V223-G245 WeakPolarHBondContact O-CA 3.38Å; V223-G245 PolarHBondContact O-N 3.5Å |
| 224 | A | 89.3 | Confident | 87.6 | Confident | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 154.2 | -179 | 0 | 0 | 0 | 0 | 0 | 110.4 | K205 L247 | K205-A224 PolarHBondContact N-O 2.83Å; A224-L247 HydrophobicContact CB-CD1 3.47Å; A224-L247 VanDerWaalsContact CB-CD1 3.47Å |
| 225 | S | 89.6 | Confident | 87.6 | Confident | 8 Ų | 8 | 32 Ų | 32 | 6% | 0.056 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 138 | 176.7 | -54.8 | 0 | 0 | 0 | 0 | 109.2 | L203 C204 K241 V242 | L203-S225 CarbonylContact O-C 3.58Å; L203-S225 VanDerWaalsContact O-CA 3.26Å; L203-S225 WeakPolarHBondContact O-CA 3.43Å; C204-S225 PolarHBondContact SG-OG 3.23Å; S225-K241 CarbonylContact O-C 3.51Å; S225-K241 WeakPolarHBondContact O-CA 3.2Å; S225-V242 PolarHBondContact N-O 2.9Å; S225-V242 PolarHBondContact O-N 2.81Å |
| 226 | L | 91.5 | Very high | 87.5 | Confident | 9 Ų | 9 | 34.7 Ų | 34.7 | 5% | 0.047 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 121.1 | 174.4 | -173.3 | 63.3 | 0 | 0 | 0 | 108.4 | L203 I228 K241 I252 M255 I256 | L203-L226 PolarHBondContact N-O 2.75Å; L203-L226 PolarHBondContact O-N 3.07Å; L226-I228 HydrophobicContact CD2-CD1 3.81Å; L226-I228 HydrophobicContact CD2-CG1 4.12Å; L226-I228 HydrophobicContact CG-CD1 4.11Å; L226-I228 HydrophobicContact CG-CG1 3.86Å; L226-K241 HydrophobicContact CD1-CB 4.3Å; L226-I252 HydrophobicContact CD2-CG2 4.27Å; L226-M255 HydrophobicContact CB-SD 3.99Å; L226-M255 HydrophobicContact CD2-CB 3.8Å; L226-M255 HydrophobicContact CD2-SD 4.16Å; L226-I256 HydrophobicContact CD2-CG1 4.25Å |
| 227 | I | 92.2 | Very high | 87.4 | Confident | 7 Ų | 7 | 34.2 Ų | 34.2 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 124.9 | 176 | -57 | 175.8 | 0 | 0 | 0 | 106.8 | Y149 I200 T202 S239 R240 V242 | Y149-I227 HydrophobicContact CD1-CD1 3.97Å; Y149-I227 HydrophobicContact CD2-CD1 3.81Å; Y149-I227 HydrophobicContact CD2-CG1 4.46Å; Y149-I227 HydrophobicContact CE1-CD1 3.75Å; Y149-I227 HydrophobicContact CE2-CD1 3.61Å; Y149-I227 HydrophobicContact CG-CD1 4.01Å; I200-I227 HydrophobicContact CG2-CG2 3.24Å; T202-I227 HydrophobicContact CG2-CG1 4.43Å; I227-S239 CarbonylContact O-C 3.46Å; I227-S239 VanDerWaalsContact O-CA 3.3Å; I227-S239 WeakPolarHBondContact O-CA 3.44Å; I227-R240 HydrophobicContact CB-CB 4.46Å; I227-R240 PolarHBondContact N-O 2.84Å; I227-R240 PolarHBondContact O-N 2.84Å; I227-V242 HydrophobicContact CD1-CB 4.4Å; I227-V242 HydrophobicContact CD1-CG2 3.54Å; I227-V242 HydrophobicContact CG1-CG2 4.25Å |
| 228 | I | 91.8 | Very high | 87.2 | Confident | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 128.9 | -178.3 | -51.4 | -175.9 | 0 | 0 | 0 | 108.1 | I200 V201 L203 L226 V230 I236 I256 | I200-I228 CarbonylContact C-O 3.59Å; I200-I228 WeakPolarHBondContact CA-O 3.5Å; V201-I228 PolarHBondContact N-O 2.81Å; V201-I228 PolarHBondContact O-N 3.04Å; L203-I228 HydrophobicContact CD1-CD1 3.75Å; L203-I228 HydrophobicContact CD1-CG1 4.08Å; L226-I228 HydrophobicContact CD2-CD1 3.81Å; L226-I228 HydrophobicContact CD2-CG1 4.12Å; L226-I228 HydrophobicContact CG-CD1 4.11Å; L226-I228 HydrophobicContact CG-CG1 3.86Å; I228-V230 HydrophobicContact CG2-CG2 3.77Å; I228-I236 HydrophobicContact CG2-CG1 4.2Å; I228-I236 HydrophobicContact CG2-CG2 3.72Å; I228-I256 HydrophobicContact CD1-CB 4.27Å; I228-I256 HydrophobicContact CD1-CG1 3.81Å |
| 229 | S | 90.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 127.1 | 172.9 | 52.2 | 0 | 0 | 0 | 0 | 110.1 | C199 I236 T237 C238 | C199-S229 CarbonylContact O-C 3.6Å; C199-S229 WeakPolarHBondContact O-CA 3.46Å; S229-I236 WeakPolarHBondContact O-CA 3.3Å; S229-T237 PolarHBondContact O-N 3.23Å; S229-T237 WeakPolarHBondContact OG-CB 3.49Å; S229-C238 PolarHBondContact N-O 2.92Å; S229-C238 WeakPolarHBondContact OG-CA 3.41Å; S229-C238 VanDerWaalsContact OG-CB 3.28Å; S229-C238 WeakPolarHBondContact OG-CB 3.2Å; S229-C238 PolarHBondContact OG-N 2.96Å; S229-C238 PolarHBondContact OG-O 3.44Å |
| 230 | V | 90 | Very high | 87.4 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.8 | -171.8 | -175.1 | 0 | 0 | 0 | 0 | 109.6 | P198 C199 I228 I236 H267 | P198-V230 WeakPolarHBondContact CA-O 3.48Å; C199-V230 PolarHBondContact N-O 2.84Å; C199-V230 PolarHBondContact O-N 3.21Å; I228-V230 HydrophobicContact CG2-CG2 3.77Å; V230-I236 HydrophobicContact CG2-CG1 4.48Å; V230-H267 PolarHBondContact O-NE2 2.69Å |
| 231 | T | 88.2 | Confident | 87.6 | Confident | 8 Ų | 8 | 37.6 Ų | 37.6 | 5% | 0.049 | 20% | 0.199 | C | C | . | . | trans | -81.4 | 166.6 | 172.2 | 56.9 | 0 | 0 | 0 | 0 | 111.4 | P198 K233 G234 I235 | P198-T231 HydrophobicContact CB-CG2 4.12Å; T231-K233 PolarHBondContact O-N 2.7Å; T231-K233 VanDerWaalsContact O-N 3.13Å; T231-G234 WeakPolarHBondContact O-CA 3.26Å; T231-G234 PolarHBondContact O-N 3.44Å; T231-I235 PolarHBondContact N-O 3.03Å; T231-I235 WeakPolarHBondContact OG1-CB 3.41Å; T231-I235 PolarHBondContact OG1-N 3.35Å; T231-I235 VanDerWaalsContact OG1-N 3.13Å; T231-I235 PolarHBondContact OG1-O 3.26Å | ||
| 232 | H | 83.6 | Confident | 87.6 | Confident | 69 Ų | 69 | 37.9 Ų | 37.9 | 32% | 0.319 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -32.1 | 176.9 | 76 | -95.5 | 0 | 0 | 0 | 113.1 | E195 N196 G234 H267 | E195-H232 PolarHBondContact O-ND1 3.03Å; N196-H232 PolarHBondContact OD1-CE1 2.8Å; N196-H232 PolarHBondContact OD1-ND1 3.49Å; H232-G234 PolarHBondContact O-N 2.9Å; H232-H267 HydrophobicContact CB-CB 4.35Å |
| 233 | K | 82.4 | Confident | 87.4 | Confident | 106 Ų | 106 | 38.7 Ų | 38.7 | 46% | 0.461 | 21% | 0.212 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11.5 | 177.3 | -56.8 | -172 | -176.7 | 177.5 | 0 | 112.7 | T231 I235 | T231-K233 PolarHBondContact O-N 2.7Å; T231-K233 VanDerWaalsContact O-N 3.13Å; K233-I235 HydrophobicContact CB-CD1 4.19Å; K233-I235 HydrophobicContact CB-CG1 4.16Å |
| 234 | G | 80.6 | Confident | 87.1 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 6% | 0.062 | 24% | 0.236 | C | C | . | . | trans | 77.1 | 22.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | T231 H232 K260 K264 | T231-G234 WeakPolarHBondContact O-CA 3.26Å; T231-G234 PolarHBondContact O-N 3.44Å; H232-G234 PolarHBondContact O-N 2.9Å; G234-K260 VanDerWaalsContact O-CE 3.24Å; G234-K260 WeakPolarHBondContact O-CE 3.36Å; G234-K264 VanDerWaalsContact CA-CE 3.45Å | ||
| 235 | I | 86.7 | Confident | 86.9 | Confident | 92 Ų | 92 | 48.1 Ų | 48.1 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | trans | -81 | 132.8 | 168.3 | -56.4 | 168.3 | 0 | 0 | 0 | 107 | T231 K233 | T231-I235 PolarHBondContact N-O 3.03Å; T231-I235 WeakPolarHBondContact OG1-CB 3.41Å; T231-I235 PolarHBondContact OG1-N 3.35Å; T231-I235 VanDerWaalsContact OG1-N 3.13Å; T231-I235 PolarHBondContact OG1-O 3.26Å; K233-I235 HydrophobicContact CB-CD1 4.19Å; K233-I235 HydrophobicContact CB-CG1 4.16Å | ||
| 236 | I | 86.6 | Confident | 86.7 | Confident | 64 Ų | 64 | 52.7 Ų | 52.7 | 33% | 0.328 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123.4 | 178.2 | -60.9 | 155.1 | 0 | 0 | 0 | 108 | I228 S229 V230 I256 | I228-I236 HydrophobicContact CG2-CG1 4.2Å; I228-I236 HydrophobicContact CG2-CG2 3.72Å; S229-I236 WeakPolarHBondContact O-CA 3.3Å; V230-I236 HydrophobicContact CG2-CG1 4.48Å; I236-I256 HydrophobicContact CD1-CG2 3.33Å |
| 237 | T | 83.3 | Confident | 86.3 | Confident | 34 Ų | 34 | 53.7 Ų | 53.7 | 21% | 0.209 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -44.3 | -174.2 | -56 | 0 | 0 | 0 | 0 | 110.8 | V112 N115 S229 | V112-T237 VanDerWaalsContact O-CG2 3.22Å; V112-T237 WeakPolarHBondContact O-CG2 3.38Å; N115-T237 HydrophobicContact CB-CG2 3.85Å; N115-T237 WeakPolarHBondContact ND2-CG2 3.09Å; S229-T237 PolarHBondContact O-N 3.23Å; S229-T237 WeakPolarHBondContact OG-CB 3.49Å |
| 238 | C | 84.6 | Confident | 86.2 | Confident | 26 Ų | 26 | 57.3 Ų | 57.3 | 18% | 0.176 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.7 | 139.5 | -179.5 | -178.1 | 0 | 0 | 0 | 0 | 108.9 | V112 S229 | V112-C238 HydrophobicContact CG2-CB 4.15Å; S229-C238 PolarHBondContact N-O 2.92Å; S229-C238 WeakPolarHBondContact OG-CA 3.41Å; S229-C238 VanDerWaalsContact OG-CB 3.28Å; S229-C238 WeakPolarHBondContact OG-CB 3.2Å; S229-C238 PolarHBondContact OG-N 2.96Å; S229-C238 PolarHBondContact OG-O 3.44Å |
| 239 | S | 89.2 | Confident | 86 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 50% | 0.503 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 136.2 | 164.7 | 62 | 0 | 0 | 0 | 0 | 108.9 | I227 | I227-S239 CarbonylContact O-C 3.46Å; I227-S239 VanDerWaalsContact O-CA 3.3Å; I227-S239 WeakPolarHBondContact O-CA 3.44Å |
| 240 | R | 89.7 | Confident | 85.9 | Confident | 72 Ų | 72 | 69.2 Ų | 69.2 | 27% | 0.272 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 124.2 | -180 | -178.8 | 175.9 | -179.2 | 140.1 | 0.4 | 110.2 | I227 V242 | I227-R240 HydrophobicContact CB-CB 4.46Å; I227-R240 PolarHBondContact N-O 2.84Å; I227-R240 PolarHBondContact O-N 2.84Å; R240-V242 HydrophobicContact CG-CG2 4.11Å |
| 241 | K | 90.4 | Very high | 85.8 | Confident | 95 Ų | 95 | 70 Ų | 70 | 41% | 0.413 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130.4 | 170.2 | -177.7 | -95.1 | -173.3 | 177.2 | 0 | 109.7 | S225 L226 G243 G245 | S225-K241 CarbonylContact O-C 3.51Å; S225-K241 WeakPolarHBondContact O-CA 3.2Å; L226-K241 HydrophobicContact CD1-CB 4.3Å; K241-G243 PolarHBondContact NZ-O 3.48Å; K241-G245 WeakPolarHBondContact CE-O 3.26Å; K241-G245 PolarHBondContact NZ-O 2.77Å |
| 242 | V | 87.2 | Confident | 85.9 | Confident | 27 Ų | 27 | 72.6 Ų | 72.6 | 16% | 0.164 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 150.5 | 175.6 | -179.2 | 0 | 0 | 0 | 0 | 108.2 | S225 I227 R240 | S225-V242 PolarHBondContact N-O 2.9Å; S225-V242 PolarHBondContact O-N 2.81Å; I227-V242 HydrophobicContact CD1-CB 4.4Å; I227-V242 HydrophobicContact CD1-CG2 3.54Å; I227-V242 HydrophobicContact CG1-CG2 4.25Å; R240-V242 HydrophobicContact CG-CG2 4.11Å |
| 243 | G | 82.1 | Confident | 86.2 | Confident | 41 Ų | 41 | 73.5 Ų | 73.5 | 42% | 0.423 | 40% | 0.397 | S | S | . | . | S | Bend | trans | 104.8 | 160.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K241 | K241-G243 PolarHBondContact NZ-O 3.48Š|
| 244 | R | 79.8 | Confident | 86.6 | Confident | 255 Ų | 255 | 73.2 Ų | 73.2 | 96% | 0.962 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -89 | -15.3 | -168.2 | -58.9 | -162.1 | -168.3 | -84.8 | 1.6 | 114.3 | ||
| 245 | G | 84.1 | Confident | 87.1 | Confident | 18 Ų | 18 | 73 Ų | 73 | 19% | 0.186 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -79.7 | 171.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | V223 K241 | V223-G245 VanDerWaalsContact O-CA 3.24Å; V223-G245 WeakPolarHBondContact O-CA 3.38Å; V223-G245 PolarHBondContact O-N 3.5Å; K241-G245 WeakPolarHBondContact CE-O 3.26Å; K241-G245 PolarHBondContact NZ-O 2.77Å |
| 246 | S | 85.3 | Confident | 87.3 | Confident | 103 Ų | 103 | 70.9 Ų | 70.9 | 72% | 0.72 | 38% | 0.384 | S | S | * | . | trans | -81.8 | 159.3 | 169.3 | 50.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 247 | L | 84.9 | Confident | 87.6 | Confident | 30 Ų | 30 | 73.6 Ų | 73.6 | 16% | 0.157 | 40% | 0.395 | C | S | . | . | trans | -130.8 | 133.9 | 172.1 | -141.1 | 82.1 | 0 | 0 | 0 | 109.2 | K205 A224 I252 M255 | K205-L247 HydrophobicContact CB-CD1 3.88Å; K205-L247 HydrophobicContact CD-CD1 3.61Å; K205-L247 HydrophobicContact CD-CG 4.25Å; K205-L247 HydrophobicContact CG-CD1 4.34Å; A224-L247 HydrophobicContact CB-CD1 3.47Å; A224-L247 VanDerWaalsContact CB-CD1 3.47Å; L247-I252 HydrophobicContact CB-CD1 4.42Å; L247-I252 HydrophobicContact CB-CG1 4.31Å; L247-I252 HydrophobicContact CD2-CB 4.44Å; L247-I252 HydrophobicContact CD2-CD1 4.2Å; L247-I252 HydrophobicContact CD2-CG1 3.32Å; L247-I252 HydrophobicContact CG-CG1 4.18Å; L247-M255 HydrophobicContact CD2-SD 3.75Å | ||
| 248 | D | 88.6 | Confident | 87.9 | Confident | 84 Ų | 84 | 72.3 Ų | 72.3 | 45% | 0.449 | 39% | 0.388 | S | S | . | . | trans | -71.1 | 140 | 173.9 | -48.5 | -83.8 | 0 | 0 | 0 | 110.2 | K205 E250 S251 I252 | K205-D248 IonicContact NZ-OD2 3.58Å; K205-D248 PolarHBondContact NZ-OD2 3.02Å; D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 3.5Å; D248-S251 PolarHBondContact O-N 2.72Å; D248-I252 PolarHBondContact O-N 3.43Å; D248-I252 VanDerWaalsContact O-N 3.15Å | ||
| 249 | P | 88.1 | Confident | 88.2 | Confident | 96 Ų | 96 | 71.1 Ų | 71.1 | 62% | 0.623 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -63.1 | -34.4 | -177.8 | 25.4 | -33.8 | 0 | 0 | 0 | 112.7 | I252 C253 | P249-I252 WeakPolarHBondContact O-CB 2.96Å; P249-I252 PolarHBondContact O-N 3.05Å; P249-C253 PolarHBondContact O-N 2.97Å |
| 250 | E | 88.9 | Confident | 88.3 | Confident | 155 Ų | 155 | 71.8 Ų | 71.8 | 72% | 0.724 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -63.9 | -44.4 | 176.6 | -65 | 179.9 | 92.7 | 0 | 0 | 111.2 | D248 I252 C253 E254 | D248-E250 VanDerWaalsContact C-N 3.28Å; D248-E250 PolarHBondContact O-N 3.5Å; E250-I252 VanDerWaalsContact C-N 3.26Å; E250-I252 PolarHBondContact O-N 3.4Å; E250-C253 WeakPolarHBondContact O-CB 3.22Å; E250-C253 PolarHBondContact O-N 3.13Å; E250-C253 VanDerWaalsContact O-N 3.15Å; E250-E254 PolarHBondContact O-N 2.97Å; E250-E254 VanDerWaalsContact O-N 3.17Å |
| 251 | S | 87.1 | Confident | 88.4 | Confident | 18 Ų | 18 | 74.2 Ų | 74.2 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.1 | -30 | 175.9 | -62 | 0 | 0 | 0 | 0 | 112.9 | K205 D248 M255 | K205-S251 PolarHBondContact NZ-OG 3.07Å; D248-S251 PolarHBondContact O-N 2.72Å; S251-M255 WeakPolarHBondContact O-CB 3.48Å; S251-M255 WeakPolarHBondContact O-CG 3.32Å; S251-M255 PolarHBondContact O-N 2.95Å |
| 252 | I | 90.1 | Very high | 88.3 | Confident | 61 Ų | 61 | 70.3 Ų | 70.3 | 31% | 0.313 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -45.8 | 174.6 | -66.1 | 170.8 | 0 | 0 | 0 | 110 | L226 L247 D248 P249 E250 M255 I256 | L226-I252 HydrophobicContact CD2-CG2 4.27Å; L247-I252 HydrophobicContact CB-CD1 4.42Å; L247-I252 HydrophobicContact CB-CG1 4.31Å; L247-I252 HydrophobicContact CD2-CB 4.44Å; L247-I252 HydrophobicContact CD2-CD1 4.2Å; L247-I252 HydrophobicContact CD2-CG1 3.32Å; L247-I252 HydrophobicContact CG-CG1 4.18Å; D248-I252 PolarHBondContact O-N 3.43Å; D248-I252 VanDerWaalsContact O-N 3.15Å; P249-I252 WeakPolarHBondContact O-CB 2.96Å; P249-I252 PolarHBondContact O-N 3.05Å; E250-I252 VanDerWaalsContact C-N 3.26Å; E250-I252 PolarHBondContact O-N 3.4Å; I252-M255 PolarHBondContact O-N 2.75Å; I252-I256 HydrophobicContact CG2-CD1 3.67Å; I252-I256 HydrophobicContact CG2-CG1 4.34Å; I252-I256 WeakPolarHBondContact O-CB 3.26Å; I252-I256 VanDerWaalsContact O-CG1 3.23Å; I252-I256 WeakPolarHBondContact O-CG1 3.3Å; I252-I256 PolarHBondContact O-N 2.81Å |
| 253 | C | 90.6 | Very high | 88.3 | Confident | 88 Ų | 88 | 69 Ų | 69 | 60% | 0.595 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 179.2 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | P249 E250 I256 E257 | P249-C253 PolarHBondContact O-N 2.97Å; E250-C253 WeakPolarHBondContact O-CB 3.22Å; E250-C253 PolarHBondContact O-N 3.13Å; E250-C253 VanDerWaalsContact O-N 3.15Å; C253-I256 PolarHBondContact O-N 3.13Å; C253-E257 PolarHBondContact O-N 3.42Å |
| 254 | E | 90.4 | Very high | 88.6 | Confident | 100 Ų | 100 | 71.3 Ų | 71.3 | 47% | 0.467 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.8 | -46.6 | 175.7 | -67 | -179 | 101.3 | 0 | 0 | 111.6 | E250 I256 E257 T258 | E250-E254 PolarHBondContact O-N 2.97Å; E250-E254 VanDerWaalsContact O-N 3.17Å; E254-I256 VanDerWaalsContact C-N 3.26Å; E254-I256 PolarHBondContact O-N 3.28Å; E254-E257 PolarHBondContact O-N 3.34Å; E254-E257 VanDerWaalsContact O-N 3.16Å; E254-T258 PolarHBondContact O-N 3.42Å; E254-T258 PolarHBondContact O-OG1 3.04Å |
| 255 | M | 90.6 | Very high | 89 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -61 | -35.7 | 177.5 | -75.9 | 177.7 | 145.6 | 0 | 0 | 112.4 | L203 K205 H210 L226 L247 S251 I252 G259 | L203-M255 HydrophobicContact CB-CE 4.16Å; L203-M255 HydrophobicContact CB-CG 4.4Å; L203-M255 HydrophobicContact CD2-CB 4.14Å; L203-M255 HydrophobicContact CD2-CG 4.31Å; L203-M255 WeakPolarHBondContact CD2-O 3.48Å; K205-M255 HydrophobicContact CB-CE 3.61Å; K205-M255 HydrophobicContact CG-CE 4.48Å; H210-M255 HydrophobicContact CB-CE 3.51Å; H210-M255 HydrophobicContact CB-CG 3.86Å; L226-M255 HydrophobicContact CB-SD 3.99Å; L226-M255 HydrophobicContact CD2-CB 3.8Å; L226-M255 HydrophobicContact CD2-SD 4.16Å; L247-M255 HydrophobicContact CD2-SD 3.75Å; S251-M255 WeakPolarHBondContact O-CB 3.48Å; S251-M255 WeakPolarHBondContact O-CG 3.32Å; S251-M255 PolarHBondContact O-N 2.95Å; I252-M255 PolarHBondContact O-N 2.75Å; M255-G259 PolarHBondContact O-N 3Å |
| 256 | I | 91.9 | Very high | 89 | Confident | 49 Ų | 49 | 62.7 Ų | 62.7 | 25% | 0.251 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 176.2 | -72.8 | 168.2 | 0 | 0 | 0 | 111.3 | L226 I228 I236 I252 C253 E254 G259 K260 | L226-I256 HydrophobicContact CD2-CG1 4.25Å; I228-I256 HydrophobicContact CD1-CB 4.27Å; I228-I256 HydrophobicContact CD1-CG1 3.81Å; I236-I256 HydrophobicContact CD1-CG2 3.33Å; I252-I256 HydrophobicContact CG2-CD1 3.67Å; I252-I256 HydrophobicContact CG2-CG1 4.34Å; I252-I256 WeakPolarHBondContact O-CB 3.26Å; I252-I256 VanDerWaalsContact O-CG1 3.23Å; I252-I256 WeakPolarHBondContact O-CG1 3.3Å; I252-I256 PolarHBondContact O-N 2.81Å; C253-I256 PolarHBondContact O-N 3.13Å; E254-I256 VanDerWaalsContact C-N 3.26Å; E254-I256 PolarHBondContact O-N 3.28Å; I256-G259 PolarHBondContact O-N 2.94Å; I256-K260 WeakPolarHBondContact O-CB 3.47Å; I256-K260 PolarHBondContact O-N 2.85Å |
| 257 | E | 92 | Very high | 89 | Confident | 120 Ų | 120 | 58 Ų | 58 | 56% | 0.561 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -64.8 | -47.4 | 177.4 | -167.2 | -175.5 | 155.4 | 0 | 0 | 111.5 | C253 E254 G259 K260 R261 | C253-E257 PolarHBondContact O-N 3.42Å; E254-E257 PolarHBondContact O-N 3.34Å; E254-E257 VanDerWaalsContact O-N 3.16Å; E257-G259 PolarHBondContact O-N 2.94Å; E257-K260 WeakPolarHBondContact O-CB 3.28Å; E257-K260 PolarHBondContact O-N 2.89Å; E257-R261 PolarHBondContact O-N 2.81Å; E257-R261 IonicContact OE1-NH2 3.55Å; E257-R261 PolarHBondContact OE1-NH2 2.85Å |
| 258 | T | 90.9 | Very high | 89 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.049 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -59.7 | -46.8 | 175 | -59.1 | 0 | 0 | 0 | 0 | 110.8 | E30 L203 H210 V212 E254 K260 R261 V262 | E30-T258 HydrophobicContact CG-CG2 4.04Å; E30-T258 WeakPolarHBondContact OE1-CG2 3.38Å; L203-T258 HydrophobicContact CD2-CG2 3.93Å; H210-T258 PolarHBondContact NE2-OG1 3.01Å; V212-T258 HydrophobicContact CG2-CG2 4.33Å; E254-T258 PolarHBondContact O-N 3.42Å; E254-T258 PolarHBondContact O-OG1 3.04Å; T258-K260 VanDerWaalsContact C-N 3.28Å; T258-K260 PolarHBondContact O-N 2.85Å; T258-R261 WeakPolarHBondContact O-CB 3.34Å; T258-R261 PolarHBondContact O-N 2.91Å; T258-R261 VanDerWaalsContact O-N 3.1Å; T258-V262 HydrophobicContact CG2-CG2 4.18Å; T258-V262 WeakPolarHBondContact O-CB 3.34Å; T258-V262 WeakPolarHBondContact O-CG2 3.08Å; T258-V262 PolarHBondContact O-N 3.24Å |
| 259 | G | 90.3 | Very high | 88.9 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.4 | -38.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | M255 I256 E257 G263 | M255-G259 PolarHBondContact O-N 3Å; I256-G259 PolarHBondContact O-N 2.94Å; E257-G259 PolarHBondContact O-N 2.94Å; G259-G263 PolarHBondContact O-N 3.17Å |
| 260 | K | 91.2 | Very high | 88.7 | Confident | 87 Ų | 87 | 55.3 Ų | 55.3 | 38% | 0.378 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -67.2 | -41.9 | 174.7 | -177.7 | 178.7 | 176.9 | 177.8 | 0 | 112.3 | G234 I256 E257 T258 K264 | G234-K260 VanDerWaalsContact O-CE 3.24Å; G234-K260 WeakPolarHBondContact O-CE 3.36Å; I256-K260 WeakPolarHBondContact O-CB 3.47Å; I256-K260 PolarHBondContact O-N 2.85Å; E257-K260 WeakPolarHBondContact O-CB 3.28Å; E257-K260 PolarHBondContact O-N 2.89Å; T258-K260 VanDerWaalsContact C-N 3.28Å; T258-K260 PolarHBondContact O-N 2.85Å; K260-K264 WeakPolarHBondContact O-CB 3.44Å; K260-K264 VanDerWaalsContact O-CG 3.32Å; K260-K264 WeakPolarHBondContact O-CG 3.31Å; K260-K264 PolarHBondContact O-N 3.24Å; K260-K264 VanDerWaalsContact O-N 3.08Å |
| 261 | R | 90.9 | Very high | 88.5 | Confident | 122 Ų | 122 | 49.7 Ų | 49.7 | 46% | 0.46 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.1 | -50.3 | 178.2 | -172.7 | -174.4 | -57.8 | 130.7 | 4.6 | 110.7 | E30 E257 T258 K264 A265 | E30-R261 IonicContact OE1-NH1 2.67Å; E30-R261 PolarHBondContact OE1-NH1 3Å; E257-R261 PolarHBondContact O-N 2.81Å; E257-R261 IonicContact OE1-NH2 3.55Å; E257-R261 PolarHBondContact OE1-NH2 2.85Å; T258-R261 WeakPolarHBondContact O-CB 3.34Å; T258-R261 PolarHBondContact O-N 2.91Å; T258-R261 VanDerWaalsContact O-N 3.1Å; R261-K264 PolarHBondContact O-N 2.69Å; R261-A265 PolarHBondContact O-N 3.27Å |
| 262 | V | 89.9 | Confident | 88.4 | Confident | 13 Ų | 13 | 55 Ų | 55 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 178.2 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | Y32 V201 V212 T258 K264 A265 L266 | Y32-V262 HydrophobicContact CD2-CG1 4.41Å; Y32-V262 HydrophobicContact CE2-CG1 3.39Å; V201-V262 HydrophobicContact CG1-CB 4.34Å; V201-V262 HydrophobicContact CG1-CG1 3.81Å; V201-V262 HydrophobicContact CG2-CG1 3.9Å; V212-V262 HydrophobicContact CG1-CG1 4.28Å; V212-V262 HydrophobicContact CG2-CG2 4.31Å; T258-V262 HydrophobicContact CG2-CG2 4.18Å; T258-V262 WeakPolarHBondContact O-CB 3.34Å; T258-V262 WeakPolarHBondContact O-CG2 3.08Å; T258-V262 PolarHBondContact O-N 3.24Å; V262-K264 VanDerWaalsContact C-N 3.27Å; V262-K264 PolarHBondContact O-N 3.01Å; V262-A265 WeakPolarHBondContact O-CA 3.15Å; V262-A265 WeakPolarHBondContact O-CB 3.32Å; V262-A265 PolarHBondContact O-N 3.11Å; V262-L266 PolarHBondContact O-N 3.27Å |
| 263 | G | 87.2 | Confident | 88.2 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -59.1 | -40.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | G259 A265 L266 H267 | G259-G263 PolarHBondContact O-N 3.17Å; G263-A265 VanDerWaalsContact C-N 3.33Å; G263-A265 PolarHBondContact O-N 2.9Å; G263-L266 PolarHBondContact O-N 2.99Å; G263-H267 PolarHBondContact O-CD2 3.21Å; G263-H267 PolarHBondContact O-N 3.04Å |
| 264 | K | 88.3 | Confident | 87.8 | Confident | 90 Ų | 90 | 51.7 Ų | 51.7 | 39% | 0.391 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.6 | -33.4 | 173.1 | -77.5 | -174.5 | 177.9 | -161.9 | 0 | 113.4 | G234 K260 R261 V262 P268 | G234-K264 VanDerWaalsContact CA-CE 3.45Å; K260-K264 WeakPolarHBondContact O-CB 3.44Å; K260-K264 VanDerWaalsContact O-CG 3.32Å; K260-K264 WeakPolarHBondContact O-CG 3.31Å; K260-K264 PolarHBondContact O-N 3.24Å; K260-K264 VanDerWaalsContact O-N 3.08Å; R261-K264 PolarHBondContact O-N 2.69Å; V262-K264 VanDerWaalsContact C-N 3.27Å; V262-K264 PolarHBondContact O-N 3.01Å; K264-P268 WeakPolarHBondContact O-CD 3.49Å; K264-P268 WeakPolarHBondContact O-CG 3.39Å |
| 265 | A | 87.7 | Confident | 87.5 | Confident | 65 Ų | 65 | 52.4 Ų | 52.4 | 54% | 0.537 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -73.1 | -29.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R261 V262 G263 P269 | R261-A265 PolarHBondContact O-N 3.27Å; V262-A265 WeakPolarHBondContact O-CA 3.15Å; V262-A265 WeakPolarHBondContact O-CB 3.32Å; V262-A265 PolarHBondContact O-N 3.11Å; G263-A265 VanDerWaalsContact C-N 3.33Å; G263-A265 PolarHBondContact O-N 2.9Å; A265-P269 WeakPolarHBondContact O-CD 3.4Å; A265-P269 VanDerWaalsContact O-CG 3.29Å; A265-P269 WeakPolarHBondContact O-CG 3.11Å |
| 266 | L | 84.8 | Confident | 87.2 | Confident | 26 Ų | 26 | 56.5 Ų | 56.5 | 14% | 0.136 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -79.3 | -33.1 | -176.8 | -162.4 | 145 | 0 | 0 | 0 | 113.3 | Y32 V154 C199 V262 G263 P269 L270 | Y32-L266 HydrophobicContact CE1-CD1 4.34Å; Y32-L266 HydrophobicContact CE2-CD1 4.45Å; V154-L266 HydrophobicContact CG2-CD2 3.71Å; C199-L266 HydrophobicContact CB-CD2 4.21Å; V262-L266 PolarHBondContact O-N 3.27Å; G263-L266 PolarHBondContact O-N 2.99Å; L266-P269 WeakPolarHBondContact O-CD 3.15Å; L266-P269 WeakPolarHBondContact O-CG 3.49Å; L266-L270 WeakPolarHBondContact O-CB 3.13Å; L266-L270 PolarHBondContact O-N 2.99Å |
| 267 | H | 84.4 | Confident | 86.5 | Confident | 5 Ų | 5 | 55.5 Ų | 55.5 | 2% | 0.023 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.8 | -50.3 | -178.5 | -80.6 | -63.4 | 0 | 0 | 0 | 115 | K157 V197 C199 V230 H232 G263 L270 M271 | K157-H267 PolarHBondContact NZ-CE1 3.49Å; K157-H267 PolarHBondContact NZ-ND1 3.35Å; V197-H267 PolarHBondContact O-CE1 2.79Å; V197-H267 VanDerWaalsContact O-CE1 3.24Å; C199-H267 PolarHBondContact SG-CE1 2.86Å; V230-H267 PolarHBondContact O-NE2 2.69Å; H232-H267 HydrophobicContact CB-CB 4.35Å; G263-H267 PolarHBondContact O-CD2 3.21Å; G263-H267 PolarHBondContact O-N 3.04Å; H267-L270 PolarHBondContact O-N 3.32Å; H267-M271 WeakPolarHBondContact O-CG 3.44Å; H267-M271 PolarHBondContact O-N 2.81Å |
| 268 | P | 85.2 | Confident | 85.8 | Confident | 80 Ų | 80 | 54 Ų | 54 | 52% | 0.519 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60.4 | -48.2 | -177.8 | -21.4 | 31 | 0 | 0 | 0 | 115.3 | K264 L270 M271 K272 | K264-P268 WeakPolarHBondContact O-CD 3.49Å; K264-P268 WeakPolarHBondContact O-CG 3.39Å; P268-L270 VanDerWaalsContact C-N 3.31Å; P268-L270 PolarHBondContact O-N 3.34Å; P268-M271 PolarHBondContact O-N 3.48Å; P268-K272 WeakPolarHBondContact O-CB 3.33Å; P268-K272 PolarHBondContact O-N 2.98Å |
| 269 | P | 85.9 | Confident | 85.1 | Confident | 66 Ų | 66 | 58.2 Ų | 58.2 | 43% | 0.429 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.3 | -37 | 178.8 | 23.4 | -29.8 | 0 | 0 | 0 | 111.3 | A265 L266 K272 L273 | A265-P269 WeakPolarHBondContact O-CD 3.4Å; A265-P269 VanDerWaalsContact O-CG 3.29Å; A265-P269 WeakPolarHBondContact O-CG 3.11Å; L266-P269 WeakPolarHBondContact O-CD 3.15Å; L266-P269 WeakPolarHBondContact O-CG 3.49Å; P269-K272 PolarHBondContact O-N 2.98Å; P269-L273 WeakPolarHBondContact O-CB 3.45Å; P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.44Å; P269-L273 PolarHBondContact O-N 3.03Å |
| 270 | L | 84.3 | Confident | 84.4 | Confident | 8 Ų | 8 | 62.3 Ų | 62.3 | 4% | 0.042 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.2 | -50 | 174.9 | -178.4 | 63.8 | 0 | 0 | 0 | 111.6 | V37 V154 K157 L266 H267 P268 K272 L273 L274 | V37-L270 HydrophobicContact CG2-CD1 4.09Å; V154-L270 HydrophobicContact CG1-CD1 3.62Å; V154-L270 HydrophobicContact CG1-CD2 3.9Å; V154-L270 HydrophobicContact CG1-CG 4.41Å; K157-L270 HydrophobicContact CB-CD2 4.47Å; K157-L270 HydrophobicContact CD-CD2 3.84Å; K157-L270 HydrophobicContact CG-CD2 4.2Å; L266-L270 WeakPolarHBondContact O-CB 3.13Å; L266-L270 PolarHBondContact O-N 2.99Å; H267-L270 PolarHBondContact O-N 3.32Å; P268-L270 VanDerWaalsContact C-N 3.31Å; P268-L270 PolarHBondContact O-N 3.34Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.25Å; L270-L273 PolarHBondContact O-N 2.86Å; L270-L274 HydrophobicContact CD1-CD1 4.34Å; L270-L274 HydrophobicContact CD1-CG 4.44Å; L270-L274 HydrophobicContact CG-CD1 4.11Å; L270-L274 VanDerWaalsContact O-CG 3.27Å; L270-L274 WeakPolarHBondContact O-CG 3.33Å; L270-L274 PolarHBondContact O-N 2.79Å |
| 271 | M | 84.1 | Confident | 83.4 | Confident | 37 Ų | 37 | 60.3 Ų | 60.3 | 18% | 0.182 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -62 | -39 | 177.9 | -69.2 | -64.5 | -72.6 | 0 | 0 | 111.9 | V194 H267 P268 L274 Q275 | V194-M271 HydrophobicContact CG2-CE 4.3Å; V194-M271 HydrophobicContact CG2-SD 4.29Å; H267-M271 WeakPolarHBondContact O-CG 3.44Å; H267-M271 PolarHBondContact O-N 2.81Å; P268-M271 PolarHBondContact O-N 3.48Å; M271-L274 PolarHBondContact O-N 2.91Å; M271-Q275 WeakPolarHBondContact O-CB 3.36Å; M271-Q275 VanDerWaalsContact O-CG 3.29Å; M271-Q275 WeakPolarHBondContact O-CG 3.36Å; M271-Q275 PolarHBondContact O-N 3.14Å |
| 272 | K | 86.6 | Confident | 81.9 | Confident | 129 Ų | 129 | 63.5 Ų | 63.5 | 56% | 0.561 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -64.6 | -42.8 | 176.8 | -173.6 | 179.1 | 179.4 | -177.3 | 0 | 111.7 | P268 P269 L270 Q276 | P268-K272 WeakPolarHBondContact O-CB 3.33Å; P268-K272 PolarHBondContact O-N 2.98Å; P269-K272 PolarHBondContact O-N 2.98Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.25Å; K272-Q276 WeakPolarHBondContact O-CB 3.49Å; K272-Q276 WeakPolarHBondContact O-CG 3.42Å; K272-Q276 PolarHBondContact O-N 3.45Å |
| 273 | L | 84.6 | Confident | 80.5 | Confident | 77 Ų | 77 | 72.2 Ų | 72.2 | 40% | 0.403 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -61.8 | -48.1 | 175.8 | -74.9 | 169.3 | 0 | 0 | 0 | 110.6 | P269 L270 Q275 Q276 E277 | P269-L273 WeakPolarHBondContact O-CB 3.45Å; P269-L273 VanDerWaalsContact O-CG 3.28Å; P269-L273 WeakPolarHBondContact O-CG 3.44Å; P269-L273 PolarHBondContact O-N 3.03Å; L270-L273 PolarHBondContact O-N 2.86Å; L273-Q275 PolarHBondContact O-N 2.89Å; L273-Q276 WeakPolarHBondContact O-CB 3.5Å; L273-Q276 PolarHBondContact O-N 2.86Å; L273-Q276 VanDerWaalsContact O-N 3.17Å; L273-E277 WeakPolarHBondContact O-CG 3.42Å; L273-E277 PolarHBondContact O-N 3.04Å |
| 274 | L | 82.9 | Confident | 79.5 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.01 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 179 | -68.4 | 172.9 | 0 | 0 | 0 | 112.5 | T39 A158 F161 L270 M271 E277 E278 | T39-L274 HydrophobicContact CG2-CD2 3.5Å; A158-L274 HydrophobicContact CB-CD2 3.91Å; F161-L274 HydrophobicContact CB-CD1 4.06Å; F161-L274 HydrophobicContact CD1-CB 3.73Å; F161-L274 HydrophobicContact CD1-CD1 4.22Å; F161-L274 HydrophobicContact CD1-CD2 4.12Å; F161-L274 HydrophobicContact CD1-CG 4.24Å; F161-L274 HydrophobicContact CE1-CB 3.72Å; F161-L274 HydrophobicContact CG-CB 4.29Å; F161-L274 HydrophobicContact CG-CD1 4.05Å; F161-L274 HydrophobicContact CZ-CB 4.26Å; L270-L274 HydrophobicContact CD1-CD1 4.34Å; L270-L274 HydrophobicContact CD1-CG 4.44Å; L270-L274 HydrophobicContact CG-CD1 4.11Å; L270-L274 VanDerWaalsContact O-CG 3.27Å; L270-L274 WeakPolarHBondContact O-CG 3.33Å; L270-L274 PolarHBondContact O-N 2.79Å; M271-L274 PolarHBondContact O-N 2.91Å; L274-E277 PolarHBondContact O-N 3.24Å; L274-E278 PolarHBondContact O-N 2.89Å |
| 275 | Q | 84.7 | Confident | 78.3 | Confident | 116 Ų | 116 | 80.9 Ų | 80.9 | 54% | 0.542 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.1 | -38.9 | 175.2 | -73.4 | 175.1 | -6.8 | 0 | 0 | 112.5 | M271 L273 E278 S279 | M271-Q275 WeakPolarHBondContact O-CB 3.36Å; M271-Q275 VanDerWaalsContact O-CG 3.29Å; M271-Q275 WeakPolarHBondContact O-CG 3.36Å; M271-Q275 PolarHBondContact O-N 3.14Å; L273-Q275 PolarHBondContact O-N 2.89Å; Q275-E278 PolarHBondContact O-N 3.08Å; Q275-S279 PolarHBondContact O-N 3.21Å |
| 276 | Q | 84 | Confident | 77.2 | Confident | 86 Ų | 86 | 84.4 Ų | 84.4 | 40% | 0.402 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -62.4 | -49.4 | 174.1 | -77.2 | 175.7 | -16.2 | 0 | 0 | 110.1 | K272 L273 E278 S279 L280 | K272-Q276 WeakPolarHBondContact O-CB 3.49Å; K272-Q276 WeakPolarHBondContact O-CG 3.42Å; K272-Q276 PolarHBondContact O-N 3.45Å; L273-Q276 WeakPolarHBondContact O-CB 3.5Å; L273-Q276 PolarHBondContact O-N 2.86Å; L273-Q276 VanDerWaalsContact O-N 3.17Å; Q276-E278 VanDerWaalsContact C-N 3.29Å; Q276-E278 PolarHBondContact O-N 3.02Å; Q276-S279 PolarHBondContact O-N 3.07Å; Q276-S279 PolarHBondContact O-OG 3.18Å; Q276-L280 HydrophobicContact CB-CD1 4.47Å; Q276-L280 WeakPolarHBondContact O-CD1 3.37Å; Q276-L280 PolarHBondContact O-N 3.24Å |
| 277 | E | 76.9 | Confident | 76.2 | Confident | 28 Ų | 28 | 86 Ų | 86 | 13% | 0.131 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -55.8 | -43.5 | 176.9 | -71.4 | -161.7 | 135.9 | 0 | 0 | 112.3 | T39 L273 L274 S279 L280 G281 R284 | T39-E277 WeakPolarHBondContact CB-OE2 3.38Å; T39-E277 WeakPolarHBondContact CG2-OE2 3.48Å; T39-E277 PolarHBondContact N-OE2 2.83Å; T39-E277 PolarHBondContact OG1-OE2 2.87Å; L273-E277 WeakPolarHBondContact O-CG 3.42Å; L273-E277 PolarHBondContact O-N 3.04Å; L274-E277 PolarHBondContact O-N 3.24Å; E277-S279 VanDerWaalsContact C-N 3.34Å; E277-S279 PolarHBondContact O-N 2.92Å; E277-L280 PolarHBondContact O-N 3.26Å; E277-G281 PolarHBondContact O-N 3.2Å; E277-R284 IonicContact OE1-CZ 3.5Å; E277-R284 IonicContact OE1-NH1 3.58Å; E277-R284 PolarHBondContact OE1-NH1 3.03Å; E277-R284 IonicContact OE1-NH2 3.39Å |
| 278 | E | 76.6 | Confident | 74.8 | Confident | 89 Ų | 89 | 86.3 Ų | 86.3 | 42% | 0.416 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.6 | -43 | 175.3 | -171 | 178.7 | 165.8 | 0 | 0 | 112.2 | F161 R191 L274 Q275 Q276 L280 G281 | F161-E278 WeakPolarHBondContact CZ-OE2 3.35Å; R191-E278 IonicContact CZ-OE1 2.69Å; R191-E278 VanDerWaalsContact CZ-OE1 3.23Å; R191-E278 IonicContact NH1-OE1 2.79Å; R191-E278 PolarHBondContact NH1-OE1 2.88Å; R191-E278 IonicContact NH1-OE2 2.7Å; R191-E278 PolarHBondContact NH1-OE2 2.79Å; R191-E278 IonicContact NH2-OE1 3.61Å; R191-E278 PolarHBondContact NH2-OE1 2.88Å; L274-E278 PolarHBondContact O-N 2.89Å; Q275-E278 PolarHBondContact O-N 3.08Å; Q276-E278 VanDerWaalsContact C-N 3.29Å; Q276-E278 PolarHBondContact O-N 3.02Å; E278-L280 VanDerWaalsContact C-N 3.3Å; E278-L280 PolarHBondContact O-N 3.21Å; E278-G281 PolarHBondContact O-N 3.04Å; E278-G281 VanDerWaalsContact O-N 3.16Å |
| 279 | S | 77.4 | Confident | 73.5 | Confident | 97 Ų | 97 | 88.8 Ų | 88.8 | 68% | 0.678 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -66.1 | -31.2 | 178.9 | 75.7 | 0 | 0 | 0 | 0 | 113.3 | Q275 Q276 E277 | Q275-S279 PolarHBondContact O-N 3.21Å; Q276-S279 PolarHBondContact O-N 3.07Å; Q276-S279 PolarHBondContact O-OG 3.18Å; E277-S279 VanDerWaalsContact C-N 3.34Å; E277-S279 PolarHBondContact O-N 2.92Å |
| 280 | L | 74.8 | Confident | 71.8 | Confident | 86 Ų | 86 | 92.5 Ų | 92.5 | 45% | 0.45 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -74.3 | -31.4 | 174.3 | -82.1 | 94.2 | 0 | 0 | 0 | 111.5 | Q276 E277 E278 K282 K283 | Q276-L280 HydrophobicContact CB-CD1 4.47Å; Q276-L280 WeakPolarHBondContact O-CD1 3.37Å; Q276-L280 PolarHBondContact O-N 3.24Å; E277-L280 PolarHBondContact O-N 3.26Å; E278-L280 VanDerWaalsContact C-N 3.3Å; E278-L280 PolarHBondContact O-N 3.21Å; L280-K282 PolarHBondContact O-N 3.16Å; L280-K283 WeakPolarHBondContact O-CB 3.45Å; L280-K283 PolarHBondContact O-N 3.07Å |
| 281 | G | 69.3 | Low | 69.8 | Low | 45 Ų | 45 | 99.5 Ų | 99.5 | 46% | 0.464 | 53% | 0.528 | S | S | . | . | G | 310 helix | trans | 45.7 | -124.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | E277 E278 K283 | E277-G281 PolarHBondContact O-N 3.2Å; E278-G281 PolarHBondContact O-N 3.04Å; E278-G281 VanDerWaalsContact O-N 3.16Å; G281-K283 PolarHBondContact O-N 2.97Å |
| 282 | K | 60.5 | Low | 69 | Low | 188 Ų | 188 | 102.6 Ų | 102.6 | 82% | 0.817 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -71.6 | -6.5 | -177.6 | -64.2 | -178.9 | -178.7 | 178.3 | 0 | 114.9 | L280 | L280-K282 PolarHBondContact O-N 3.16Š|
| 283 | K | 60.3 | Low | 68.1 | Low | 197 Ų | 197 | 101.2 Ų | 101.2 | 86% | 0.857 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -81.7 | -16.7 | -179.1 | -68.3 | -179.8 | 178.5 | 174.9 | 0 | 113 | L280 G281 | L280-K283 WeakPolarHBondContact O-CB 3.45Å; L280-K283 PolarHBondContact O-N 3.07Å; G281-K283 PolarHBondContact O-N 2.97Å |
| 284 | R | 66.1 | Low | 67.2 | Low | 106 Ų | 106 | 102.6 Ų | 102.6 | 40% | 0.4 | 55% | 0.553 | S | S | . | * | S | Bend | trans | -86.4 | 129.7 | 177.9 | -174 | 169.1 | 178.6 | 177.6 | -7.1 | 109.9 | E277 K286 | E277-R284 IonicContact OE1-CZ 3.5Å; E277-R284 IonicContact OE1-NH1 3.58Å; E277-R284 PolarHBondContact OE1-NH1 3.03Å; E277-R284 IonicContact OE1-NH2 3.39Å; R284-K286 PolarHBondContact O-N 3.09Å |
| 285 | Q | 63.2 | Low | 66.3 | Low | 166 Ų | 166 | 108.5 Ų | 108.5 | 78% | 0.776 | 59% | 0.585 | S | S | * | * | trans | -68.8 | 123.5 | 164 | -73.8 | -177.3 | -12 | 0 | 0 | 108.1 | V287 | Q285-V287 HydrophobicContact CB-CG1 4.43Å; Q285-V287 PolarHBondContact O-N 3.45Å | ||
| 286 | K | 65.1 | Low | 65.1 | Low | 138 Ų | 138 | 108 Ų | 108 | 60% | 0.6 | 59% | 0.587 | S | S | * | * | trans | -70.2 | 100.5 | 176.2 | -58 | -175.9 | -172.5 | -174.2 | 0 | 108 | D40 R284 | D40-K286 VanDerWaalsContact OD1-CE 3.3Å; D40-K286 WeakPolarHBondContact OD1-CE 3.23Å; D40-K286 IonicContact OD1-NZ 3.83Å; D40-K286 PolarHBondContact OD1-NZ 2.66Å; R284-K286 PolarHBondContact O-N 3.09Å | ||
| 287 | V | 62.6 | Low | 63.9 | Low | 60 Ų | 60 | 109.5 Ų | 109.5 | 36% | 0.364 | 60% | 0.6 | S | S | . | * | trans | -102.1 | 46.4 | -179.4 | -71.4 | 0 | 0 | 0 | 0 | 110.8 | Q285 F289 | Q285-V287 HydrophobicContact CB-CG1 4.43Å; Q285-V287 PolarHBondContact O-N 3.45Å; V287-F289 PolarHBondContact O-N 3.06Å | ||
| 288 | G | 56.1 | Low | 62.9 | Low | 12 Ų | 12 | 115.3 Ų | 115.3 | 12% | 0.124 | 63% | 0.633 | C | S | . | * | S | Bend | trans | -62.5 | -15 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | K50 | K50-G288 PolarHBondContact NZ-O 3.01Š|
| 289 | F | 58.3 | Low | 61.9 | Low | 132 Ų | 132 | 117.3 Ų | 117.3 | 58% | 0.579 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -150.9 | 7.9 | 179 | -68.8 | -76.7 | 0 | 0 | 0 | 114.2 | V41 K50 L142 V287 | V41-F289 HydrophobicContact CG1-CD2 4.09Å; V41-F289 HydrophobicContact CG1-CE2 3.39Å; V41-F289 HydrophobicContact CG1-CZ 4.07Å; K50-F289 HydrophobicContact CD-CE1 4.3Å; K50-F289 HydrophobicContact CD-CZ 4.36Å; L142-F289 HydrophobicContact CD1-CE1 4.27Å; V287-F289 PolarHBondContact O-N 3.06Å |
| 290 | L | 49.8 | Very low | 60.6 | Low | 144 Ų | 144 | 119 Ų | 119 | 75% | 0.754 | 65% | 0.648 | S | S | * | * | trans | -113.9 | 93.3 | -175.8 | -68.3 | 168.8 | 0 | 0 | 0 | 108.3 | ||||
| 291 | G | 41.2 | Very low | 59.3 | Low | 154 Ų | 154 | 122 Ų | 122 | 100% | 1.588 | 67% | 0.666 | S | S | * | * | trans | -99.9 | 0 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 291 of 291 residues in 597.2 ms
(Link to these results)