| 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 | 61.7 | Low | 82.8 | Confident | 146 Ų | 146 | 58.2 Ų | 58.2 | 72% | 0.719 | 28% | 0.275 | S | S | * | . | 0 | 158.9 | 0 | -59.5 | -171.8 | -166.2 | 0 | 0 | 108.6 | K5 L6 L26 | M1-K5 HydrophobicContact CB-CD 4.16Å; M1-K5 HydrophobicContact CG-CD 4.13Å; M1-K5 HydrophobicContact SD-CD 3.6Å; M1-K5 VanDerWaalsContact SD-CD 3.6Å; M1-L6 HydrophobicContact CB-CD1 4.07Å; M1-L6 HydrophobicContact CB-CG 4.09Å; M1-L6 HydrophobicContact SD-CD2 3.74Å; M1-L6 HydrophobicContact SD-CG 4.14Å; M1-L26 WeakPolarHBondContact O-CD2 3.45Å | |||
| 2 | S | 81.6 | Confident | 81.8 | Confident | 61 Ų | 61 | 57.3 Ų | 57.3 | 43% | 0.427 | 27% | 0.274 | S | S | . | . | trans | -77.3 | 158.1 | 173.1 | 58.5 | 0 | 0 | 0 | 0 | 111.4 | K5 L6 | S2-K5 PolarHBondContact O-N 3.45Å; S2-K5 PolarHBondContact OG-N 3.08Å; S2-L6 PolarHBondContact O-N 3.4Å | ||
| 3 | F | 86.1 | Confident | 81.1 | Confident | 6 Ų | 6 | 56.9 Ų | 56.9 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -56 | -51.4 | 173.3 | 173.9 | -101.9 | 0 | 0 | 0 | 110.5 | K5 L6 W7 L23 V27 Y35 A39 | F3-K5 VanDerWaalsContact C-N 3.32Å; F3-K5 PolarHBondContact O-N 3Å; F3-L6 PolarHBondContact O-N 3.01Å; F3-L6 VanDerWaalsContact O-N 3.17Å; F3-W7 HydrophobicContact CD1-CB 4.48Å; F3-W7 HydrophobicContact CE1-CB 4.25Å; F3-W7 HydrophobicContact CE1-CG 4.32Å; F3-W7 HydrophobicContact CZ-CB 4.36Å; F3-W7 HydrophobicContact CZ-CD2 4.34Å; F3-W7 HydrophobicContact CZ-CE3 4.14Å; F3-W7 HydrophobicContact CZ-CG 4.43Å; F3-W7 VanDerWaalsContact O-CB 3.23Å; F3-W7 WeakPolarHBondContact O-CB 3.43Å; F3-W7 PolarHBondContact O-N 3.45Å; F3-L23 HydrophobicContact CD2-CD1 3.67Å; F3-L23 HydrophobicContact CE2-CD1 3.7Å; F3-V27 HydrophobicContact CD2-CG2 3.81Å; F3-V27 HydrophobicContact CE2-CG2 3.72Å; F3-Y35 HydrophobicContact CB-CD2 4.35Å; F3-Y35 HydrophobicContact CB-CE2 4.47Å; F3-Y35 AromaticContact CD1-CD1 3.99Å; F3-Y35 HydrophobicContact CD1-CD1 3.99Å; F3-Y35 HydrophobicContact CD1-CD2 4.13Å; F3-Y35 HydrophobicContact CD1-CE1 4.14Å; F3-Y35 HydrophobicContact CD1-CE2 4.28Å; F3-Y35 HydrophobicContact CD1-CG 4Å; F3-Y35 HydrophobicContact CD2-CD2 4.27Å; F3-Y35 HydrophobicContact CD2-CG 4.16Å; F3-Y35 AromaticContact CE1-CD1 3.68Å; F3-Y35 HydrophobicContact CE1-CD1 3.68Å; F3-Y35 HydrophobicContact CE1-CE1 4.1Å; F3-Y35 AromaticContact CE1-CG 3.94Å; F3-Y35 HydrophobicContact CE1-CG 3.94Å; F3-Y35 HydrophobicContact CE2-CG 4.1Å; F3-Y35 AromaticContact CG-CD2 3.99Å; F3-Y35 HydrophobicContact CG-CD2 3.99Å; F3-Y35 HydrophobicContact CG-CE2 4.38Å; F3-Y35 HydrophobicContact CG-CG 4.12Å; F3-Y35 HydrophobicContact CZ-CD1 4Å; F3-Y35 AromaticContact CZ-CG 3.99Å; F3-Y35 HydrophobicContact CZ-CG 3.99Å; F3-A39 HydrophobicContact CE2-CB 4.4Å |
| 4 | H | 88.3 | Confident | 81 | Confident | 111 Ų | 111 | 54.5 Ų | 54.5 | 51% | 0.514 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -58.3 | -35.3 | -178.1 | -60.7 | -64.7 | 0 | 0 | 0 | 114.2 | R8 | H4-R8 WeakPolarHBondContact O-CB 3.27Å; H4-R8 PolarHBondContact O-N 3.31Å |
| 5 | K | 85.8 | Confident | 80.5 | Confident | 14 Ų | 14 | 55.4 Ų | 55.4 | 6% | 0.061 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.3 | -55 | 174.1 | -176.9 | -161.1 | 176.7 | 163.8 | 0 | 111.3 | M1 S2 F3 W7 R8 K9 E715 V716 | M1-K5 HydrophobicContact CB-CD 4.16Å; M1-K5 HydrophobicContact CG-CD 4.13Å; M1-K5 HydrophobicContact SD-CD 3.6Å; M1-K5 VanDerWaalsContact SD-CD 3.6Å; S2-K5 PolarHBondContact O-N 3.45Å; S2-K5 PolarHBondContact OG-N 3.08Å; F3-K5 VanDerWaalsContact C-N 3.32Å; F3-K5 PolarHBondContact O-N 3Å; K5-W7 VanDerWaalsContact C-N 3.3Å; K5-W7 PolarHBondContact O-N 2.67Å; K5-R8 PolarHBondContact O-N 2.99Å; K5-K9 PolarHBondContact O-N 2.71Å; K5-K9 VanDerWaalsContact O-N 3.07Å; K5-E715 WeakPolarHBondContact CE-O 3.45Å; K5-E715 PolarHBondContact NZ-O 3.28Å; K5-V716 HydrophobicContact CB-CG1 4.15Å; K5-V716 HydrophobicContact CD-CB 4.16Å; K5-V716 HydrophobicContact CD-CG1 3.9Å; K5-V716 HydrophobicContact CD-CG2 4.12Å; K5-V716 HydrophobicContact CG-CG1 3.96Å |
| 6 | L | 84.5 | Confident | 80.5 | Confident | 12 Ų | 12 | 56.8 Ų | 56.8 | 6% | 0.063 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -69 | -33.3 | -175.3 | -73.9 | 173.9 | 0 | 0 | 0 | 111.6 | M1 S2 F3 A10 V19 S22 L23 L26 | M1-L6 HydrophobicContact CB-CD1 4.07Å; M1-L6 HydrophobicContact CB-CG 4.09Å; M1-L6 HydrophobicContact SD-CD2 3.74Å; M1-L6 HydrophobicContact SD-CG 4.14Å; S2-L6 PolarHBondContact O-N 3.4Å; F3-L6 PolarHBondContact O-N 3.01Å; F3-L6 VanDerWaalsContact O-N 3.17Å; L6-A10 WeakPolarHBondContact O-CB 3.29Å; L6-A10 PolarHBondContact O-N 2.79Å; L6-V19 HydrophobicContact CD2-CG1 4.35Å; L6-V19 WeakPolarHBondContact O-CG1 3.32Å; L6-S22 WeakPolarHBondContact CD1-O 3.2Å; L6-L23 HydrophobicContact CB-CB 4.16Å; L6-L23 HydrophobicContact CB-CD1 3.94Å; L6-L26 HydrophobicContact CD1-CB 4.38Å; L6-L26 HydrophobicContact CD1-CD2 3.92Å |
| 7 | W | 88.3 | Confident | 80.8 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 13% | 0.125 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -61 | -49.6 | 171.2 | 174 | -97.4 | 0 | 0 | 0 | 111.4 | F3 K5 A10 Q11 L23 Q38 A42 | F3-W7 HydrophobicContact CD1-CB 4.48Å; F3-W7 HydrophobicContact CE1-CB 4.25Å; F3-W7 HydrophobicContact CE1-CG 4.32Å; F3-W7 HydrophobicContact CZ-CB 4.36Å; F3-W7 HydrophobicContact CZ-CD2 4.34Å; F3-W7 HydrophobicContact CZ-CE3 4.14Å; F3-W7 HydrophobicContact CZ-CG 4.43Å; F3-W7 VanDerWaalsContact O-CB 3.23Å; F3-W7 WeakPolarHBondContact O-CB 3.43Å; F3-W7 PolarHBondContact O-N 3.45Å; K5-W7 VanDerWaalsContact C-N 3.3Å; K5-W7 PolarHBondContact O-N 2.67Å; W7-A10 WeakPolarHBondContact O-CB 3.43Å; W7-A10 PolarHBondContact O-N 3.23Å; W7-A10 VanDerWaalsContact O-N 3.13Å; W7-Q11 HydrophobicContact CD2-CG 4.41Å; W7-Q11 HydrophobicContact CZ2-CG 3.98Å; W7-Q11 WeakPolarHBondContact O-CG 2.95Å; W7-Q11 PolarHBondContact O-N 2.91Å; W7-L23 HydrophobicContact CB-CD1 4.34Å; W7-L23 HydrophobicContact CE3-CD2 4.02Å; W7-Q38 HydrophobicContact CE3-CG 4.36Å; W7-Q38 HydrophobicContact CH2-CG 3.58Å; W7-Q38 HydrophobicContact CZ2-CG 3.98Å; W7-Q38 HydrophobicContact CZ3-CG 3.8Å; W7-Q38 VanDerWaalsContact CZ3-O 3.31Å; W7-Q38 WeakPolarHBondContact CZ3-O 3.47Å; W7-A42 HydrophobicContact CH2-CB 3.63Å; W7-A42 HydrophobicContact CZ3-CB 3.75Å |
| 8 | R | 86 | Confident | 81.2 | Confident | 100 Ų | 100 | 54.8 Ų | 54.8 | 38% | 0.377 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -59.7 | -56 | 179.4 | -149.9 | -166.4 | -81.9 | 146 | -10.6 | 110.4 | H4 K5 A10 Q11 D12 D717 A720 | H4-R8 WeakPolarHBondContact O-CB 3.27Å; H4-R8 PolarHBondContact O-N 3.31Å; K5-R8 PolarHBondContact O-N 2.99Å; R8-A10 PolarHBondContact O-N 3.48Å; R8-Q11 WeakPolarHBondContact O-CA 3.36Å; R8-Q11 WeakPolarHBondContact O-CB 3.47Å; R8-Q11 PolarHBondContact O-N 2.96Å; R8-D12 WeakPolarHBondContact CG-OD2 3.35Å; R8-D12 VanDerWaalsContact O-CB 3.26Å; R8-D12 WeakPolarHBondContact O-CB 3.35Å; R8-D12 PolarHBondContact O-N 3.2Å; R8-D717 IonicContact NH1-OD1 3.47Å; R8-D717 PolarHBondContact NH1-OD1 2.84Å; R8-A720 HydrophobicContact CG-CB 4.45Å |
| 9 | K | 82.6 | Confident | 81.5 | Confident | 47 Ų | 47 | 52.3 Ų | 52.3 | 20% | 0.204 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -47.1 | -37.6 | 171.4 | -76.8 | -166.3 | 148.3 | -145.2 | 0 | 114.2 | K5 N13 V19 T719 | K5-K9 PolarHBondContact O-N 2.71Å; K5-K9 VanDerWaalsContact O-N 3.07Å; K9-N13 PolarHBondContact O-N 2.75Å; K9-V19 HydrophobicContact CB-CG1 3.53Å; K9-V19 HydrophobicContact CB-CG2 4.36Å; K9-T719 VanDerWaalsContact CE-CG2 3.48Å; K9-T719 WeakPolarHBondContact CE-OG1 3.36Å; K9-T719 WeakPolarHBondContact CG-OG1 3.49Å |
| 10 | A | 82 | Confident | 81.9 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -77.8 | -30.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L6 W7 R8 P14 V19 W20 L23 | L6-A10 WeakPolarHBondContact O-CB 3.29Å; L6-A10 PolarHBondContact O-N 2.79Å; W7-A10 WeakPolarHBondContact O-CB 3.43Å; W7-A10 PolarHBondContact O-N 3.23Å; W7-A10 VanDerWaalsContact O-N 3.13Å; R8-A10 PolarHBondContact O-N 3.48Å; A10-P14 VanDerWaalsContact O-CA 3.29Å; A10-P14 WeakPolarHBondContact O-CA 3.47Å; A10-V19 HydrophobicContact CB-CG1 3.91Å; A10-W20 HydrophobicContact CB-CD2 3.92Å; A10-W20 HydrophobicContact CB-CE3 3.99Å; A10-W20 HydrophobicContact CB-CH2 3.93Å; A10-W20 HydrophobicContact CB-CZ2 3.87Å; A10-W20 HydrophobicContact CB-CZ3 4Å; A10-W20 WeakPolarHBondContact O-CZ2 3.31Å; A10-L23 HydrophobicContact CB-CD2 4.06Å |
| 11 | Q | 83.5 | Confident | 82.4 | Confident | 110 Ų | 110 | 49.9 Ų | 49.9 | 51% | 0.514 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -70.2 | -37.5 | 169.3 | -65.1 | -171.3 | -75.2 | 0 | 0 | 111.5 | W7 R8 | W7-Q11 HydrophobicContact CD2-CG 4.41Å; W7-Q11 HydrophobicContact CZ2-CG 3.98Å; W7-Q11 WeakPolarHBondContact O-CG 2.95Å; W7-Q11 PolarHBondContact O-N 2.91Å; R8-Q11 WeakPolarHBondContact O-CA 3.36Å; R8-Q11 WeakPolarHBondContact O-CB 3.47Å; R8-Q11 PolarHBondContact O-N 2.96Å |
| 12 | D | 70.7 | Confident | 83.7 | Confident | 48 Ų | 48 | 45.7 Ų | 45.7 | 26% | 0.257 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -77.6 | -50.9 | -170.4 | -72.8 | -18.6 | 0 | 0 | 0 | 113.3 | R8 P14 E723 | R8-D12 WeakPolarHBondContact CG-OD2 3.35Å; R8-D12 VanDerWaalsContact O-CB 3.26Å; R8-D12 WeakPolarHBondContact O-CB 3.35Å; R8-D12 PolarHBondContact O-N 3.2Å; D12-P14 WeakPolarHBondContact O-CD 3.46Å; D12-E723 HydrophobicContact CB-CB 3.51Å; D12-E723 VanDerWaalsContact CB-CD 3.43Å; D12-E723 HydrophobicContact CB-CG 3.72Å; D12-E723 VanDerWaalsContact CB-OE1 3.29Å; D12-E723 WeakPolarHBondContact CB-OE1 3.26Å |
| 13 | N | 73.8 | Confident | 84.2 | Confident | 52 Ų | 52 | 42.8 Ų | 42.8 | 28% | 0.278 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -108.2 | 69.9 | 169.7 | -89.7 | -73.6 | 0 | 0 | 0 | 110.4 | K9 T15 E16 E723 | K9-N13 PolarHBondContact O-N 2.75Å; N13-T15 PolarHBondContact O-N 3.23Å; N13-E16 HydrophobicContact CB-CB 4.2Å; N13-E16 PolarHBondContact O-N 3.48Å; N13-E723 PolarHBondContact ND2-OE1 3.01Å |
| 14 | P | 78.6 | Confident | 84.4 | Confident | 23 Ų | 23 | 42.5 Ų | 42.5 | 15% | 0.149 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -15.6 | -170.3 | 28.5 | -37.1 | 0 | 0 | 0 | 114.1 | A10 D12 W20 | A10-P14 VanDerWaalsContact O-CA 3.29Å; A10-P14 WeakPolarHBondContact O-CA 3.47Å; D12-P14 WeakPolarHBondContact O-CD 3.46Å; P14-W20 PolarHBondContact O-NE1 3Å |
| 15 | T | 74.7 | Confident | 84.6 | Confident | 68 Ų | 68 | 39.7 Ų | 39.7 | 42% | 0.417 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.5 | -14.3 | 173.5 | 47.3 | 0 | 0 | 0 | 0 | 113.9 | N13 F17 Y382 | N13-T15 PolarHBondContact O-N 3.23Å; T15-F17 PolarHBondContact O-N 2.88Å; T15-F17 VanDerWaalsContact O-N 3.13Å; T15-Y382 HydrophobicContact CG2-CD2 4.28Å; T15-Y382 HydrophobicContact CG2-CE2 4.02Å |
| 16 | E | 80.4 | Confident | 84.8 | Confident | 77 Ų | 77 | 40.5 Ų | 40.5 | 36% | 0.36 | 21% | 0.209 | S | C | . | . | trans | -83.1 | 93.9 | -174.9 | -154 | -150.3 | 122.8 | 0 | 0 | 112.2 | N13 S18 V19 | N13-E16 HydrophobicContact CB-CB 4.2Å; N13-E16 PolarHBondContact O-N 3.48Å; E16-S18 PolarHBondContact O-N 2.63Å; E16-S18 VanDerWaalsContact O-N 3.13Å; E16-S18 VanDerWaalsContact OE1-CB 3.26Å; E16-S18 WeakPolarHBondContact OE1-CB 3.41Å; E16-S18 PolarHBondContact OE1-OG 3.33Å; E16-V19 HydrophobicContact CB-CG2 4.22Å; E16-V19 HydrophobicContact CG-CG2 4.4Å; E16-V19 PolarHBondContact O-N 3.09Å; E16-V19 VanDerWaalsContact O-N 3.14Å | ||
| 17 | F | 85 | Confident | 85.1 | Confident | 26 Ų | 26 | 40 Ų | 40 | 11% | 0.114 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.5 | -31.7 | -177.1 | -164.9 | -117.2 | 0 | 0 | 0 | 114 | T15 W20 I21 F43 F47 Y53 V272 | T15-F17 PolarHBondContact O-N 2.88Å; T15-F17 VanDerWaalsContact O-N 3.13Å; F17-W20 PolarHBondContact O-N 3.09Å; F17-I21 HydrophobicContact CD1-CD1 3.61Å; F17-I21 HydrophobicContact CD1-CG1 4.21Å; F17-I21 HydrophobicContact CE1-CD1 3.69Å; F17-I21 HydrophobicContact CE1-CG1 4.15Å; F17-I21 HydrophobicContact CG-CD1 4.44Å; F17-I21 WeakPolarHBondContact O-CG1 3.18Å; F17-I21 PolarHBondContact O-N 3.07Å; F17-F43 HydrophobicContact CD2-CE2 4.21Å; F17-F43 AromaticContact CE2-CE2 3.81Å; F17-F43 HydrophobicContact CE2-CE2 3.81Å; F17-F43 AromaticContact CE2-CZ 3.9Å; F17-F43 HydrophobicContact CE2-CZ 3.9Å; F17-F47 HydrophobicContact CB-CZ 4.5Å; F17-F47 HydrophobicContact CD2-CD1 4.05Å; F17-F47 HydrophobicContact CD2-CD2 4.1Å; F17-F47 HydrophobicContact CD2-CE1 4.06Å; F17-F47 HydrophobicContact CD2-CE2 4.11Å; F17-F47 HydrophobicContact CD2-CG 4.06Å; F17-F47 HydrophobicContact CD2-CZ 4.09Å; F17-F47 HydrophobicContact CE2-CB 4.49Å; F17-F47 HydrophobicContact CE2-CD1 4.3Å; F17-F47 HydrophobicContact CE2-CD2 4.48Å; F17-F47 HydrophobicContact CE2-CG 4.16Å; F17-Y53 HydrophobicContact CZ-CE2 4.47Å; F17-V272 HydrophobicContact CB-CB 4.3Å; F17-V272 HydrophobicContact CB-CG1 4.4Å; F17-V272 HydrophobicContact CB-CG2 3.92Å; F17-V272 HydrophobicContact CD1-CB 4.39Å; F17-V272 HydrophobicContact CD1-CG2 4.01Å; F17-V272 HydrophobicContact CD2-CG2 3.58Å; F17-V272 HydrophobicContact CE1-CG2 4.4Å; F17-V272 HydrophobicContact CE2-CG2 4.01Å; F17-V272 HydrophobicContact CG-CB 4.25Å; F17-V272 HydrophobicContact CG-CG2 3.58Å; F17-V272 HydrophobicContact CZ-CG2 4.41Å |
| 18 | S | 87.2 | Confident | 85.2 | Confident | 53 Ų | 53 | 41.8 Ų | 41.8 | 37% | 0.371 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -64.5 | -36.4 | 178.4 | 12.8 | 0 | 0 | 0 | 0 | 113.8 | E16 S22 | E16-S18 PolarHBondContact O-N 2.63Å; E16-S18 VanDerWaalsContact O-N 3.13Å; E16-S18 VanDerWaalsContact OE1-CB 3.26Å; E16-S18 WeakPolarHBondContact OE1-CB 3.41Å; E16-S18 PolarHBondContact OE1-OG 3.33Å; S18-S22 WeakPolarHBondContact O-CB 3.47Å; S18-S22 PolarHBondContact O-N 3.28Å; S18-S22 VanDerWaalsContact O-N 3.1Å; S18-S22 PolarHBondContact O-OG 3.23Å |
| 19 | V | 87.3 | Confident | 85.4 | Confident | 7 Ų | 7 | 44.7 Ų | 44.7 | 4% | 0.042 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68 | -44.7 | 174.4 | -176.3 | 0 | 0 | 0 | 0 | 110.2 | L6 K9 A10 E16 I21 S22 L23 | L6-V19 HydrophobicContact CD2-CG1 4.35Å; L6-V19 WeakPolarHBondContact O-CG1 3.32Å; K9-V19 HydrophobicContact CB-CG1 3.53Å; K9-V19 HydrophobicContact CB-CG2 4.36Å; A10-V19 HydrophobicContact CB-CG1 3.91Å; E16-V19 HydrophobicContact CB-CG2 4.22Å; E16-V19 HydrophobicContact CG-CG2 4.4Å; E16-V19 PolarHBondContact O-N 3.09Å; E16-V19 VanDerWaalsContact O-N 3.14Å; V19-I21 PolarHBondContact O-N 3.41Å; V19-S22 WeakPolarHBondContact O-CB 3.41Å; V19-S22 PolarHBondContact O-N 3.38Å; V19-S22 VanDerWaalsContact O-N 3.15Å; V19-L23 WeakPolarHBondContact O-CB 3.44Å; V19-L23 PolarHBondContact O-N 2.92Å |
| 20 | W | 90.5 | Very high | 85.6 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 2% | 0.019 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -44.6 | 177.4 | -71.6 | 104.9 | 0 | 0 | 0 | 112.6 | A10 P14 F17 S22 L23 L24 A42 F43 F47 | A10-W20 HydrophobicContact CB-CD2 3.92Å; A10-W20 HydrophobicContact CB-CE3 3.99Å; A10-W20 HydrophobicContact CB-CH2 3.93Å; A10-W20 HydrophobicContact CB-CZ2 3.87Å; A10-W20 HydrophobicContact CB-CZ3 4Å; A10-W20 WeakPolarHBondContact O-CZ2 3.31Å; P14-W20 PolarHBondContact O-NE1 3Å; F17-W20 PolarHBondContact O-N 3.09Å; W20-S22 VanDerWaalsContact C-N 3.33Å; W20-S22 PolarHBondContact O-N 3.45Å; W20-L23 HydrophobicContact CE3-CD2 4.04Å; W20-L23 HydrophobicContact CZ3-CD2 4.06Å; W20-L23 PolarHBondContact O-N 3Å; W20-L24 VanDerWaalsContact O-CG 3.29Å; W20-L24 WeakPolarHBondContact O-CG 3.29Å; W20-L24 PolarHBondContact O-N 2.75Å; W20-A42 HydrophobicContact CH2-CB 3.75Å; W20-A42 HydrophobicContact CZ3-CB 3.93Å; W20-F43 HydrophobicContact CB-CD2 3.72Å; W20-F43 HydrophobicContact CB-CE2 3.96Å; W20-F43 HydrophobicContact CD2-CB 4.48Å; W20-F43 HydrophobicContact CD2-CD2 4.01Å; W20-F43 HydrophobicContact CE3-CB 3.8Å; W20-F43 HydrophobicContact CE3-CD2 4.07Å; W20-F43 HydrophobicContact CE3-CG 4.44Å; W20-F43 AromaticContact CG-CD2 3.88Å; W20-F43 HydrophobicContact CG-CD2 3.88Å; W20-F43 HydrophobicContact CG-CE2 4.43Å; W20-F43 HydrophobicContact CZ3-CB 4.08Å; W20-F47 AromaticContact CD1-CE2 3.65Å; W20-F47 HydrophobicContact CG-CE2 4.35Å; W20-F47 AromaticContact NE1-CE2 3.88Å |
| 21 | I | 91.3 | Very high | 85.6 | Confident | 49 Ų | 49 | 52 Ų | 52 | 25% | 0.251 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 172.9 | -62.8 | 162.3 | 0 | 0 | 0 | 110 | F17 V19 L23 L24 D25 | F17-I21 HydrophobicContact CD1-CD1 3.61Å; F17-I21 HydrophobicContact CD1-CG1 4.21Å; F17-I21 HydrophobicContact CE1-CD1 3.69Å; F17-I21 HydrophobicContact CE1-CG1 4.15Å; F17-I21 HydrophobicContact CG-CD1 4.44Å; F17-I21 WeakPolarHBondContact O-CG1 3.18Å; F17-I21 PolarHBondContact O-N 3.07Å; V19-I21 PolarHBondContact O-N 3.41Å; I21-L23 VanDerWaalsContact C-N 3.26Å; I21-L23 PolarHBondContact O-N 2.92Å; I21-L24 PolarHBondContact O-N 3.21Å; I21-D25 WeakPolarHBondContact O-CB 3.23Å; I21-D25 PolarHBondContact O-N 3.13Å |
| 22 | S | 90.2 | Very high | 85.8 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 41% | 0.406 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.4 | -36 | -178 | -58.1 | 0 | 0 | 0 | 0 | 112.8 | L6 S18 V19 W20 L26 | L6-S22 WeakPolarHBondContact CD1-O 3.2Å; S18-S22 WeakPolarHBondContact O-CB 3.47Å; S18-S22 PolarHBondContact O-N 3.28Å; S18-S22 VanDerWaalsContact O-N 3.1Å; S18-S22 PolarHBondContact O-OG 3.23Å; V19-S22 WeakPolarHBondContact O-CB 3.41Å; V19-S22 PolarHBondContact O-N 3.38Å; V19-S22 VanDerWaalsContact O-N 3.15Å; W20-S22 VanDerWaalsContact C-N 3.33Å; W20-S22 PolarHBondContact O-N 3.45Å; S22-L26 WeakPolarHBondContact O-CB 3.38Å; S22-L26 PolarHBondContact O-N 3.03Å |
| 23 | L | 90.6 | Very high | 86.6 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -68.3 | -49.2 | 175.2 | 176.1 | 64.3 | 0 | 0 | 0 | 111.5 | F3 L6 W7 A10 V19 W20 I21 L26 V27 A39 | F3-L23 HydrophobicContact CD2-CD1 3.67Å; F3-L23 HydrophobicContact CE2-CD1 3.7Å; L6-L23 HydrophobicContact CB-CB 4.16Å; L6-L23 HydrophobicContact CB-CD1 3.94Å; W7-L23 HydrophobicContact CB-CD1 4.34Å; W7-L23 HydrophobicContact CE3-CD2 4.02Å; A10-L23 HydrophobicContact CB-CD2 4.06Å; V19-L23 WeakPolarHBondContact O-CB 3.44Å; V19-L23 PolarHBondContact O-N 2.92Å; W20-L23 HydrophobicContact CE3-CD2 4.04Å; W20-L23 HydrophobicContact CZ3-CD2 4.06Å; W20-L23 PolarHBondContact O-N 3Å; I21-L23 VanDerWaalsContact C-N 3.26Å; I21-L23 PolarHBondContact O-N 2.92Å; L23-L26 WeakPolarHBondContact O-CB 3.36Å; L23-L26 PolarHBondContact O-N 3.27Å; L23-V27 WeakPolarHBondContact O-CB 3.39Å; L23-V27 WeakPolarHBondContact O-CG2 3.44Å; L23-V27 PolarHBondContact O-N 2.9Å; L23-A39 HydrophobicContact CD2-CB 4.04Å; L23-A39 HydrophobicContact CG-CB 4.14Å |
| 24 | L | 91.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.3 | -41.3 | -177.9 | -65.2 | 174.5 | 0 | 0 | 0 | 111.6 | W20 I21 L26 V27 E28 A39 F40 F43 Y53 | W20-L24 VanDerWaalsContact O-CG 3.29Å; W20-L24 WeakPolarHBondContact O-CG 3.29Å; W20-L24 PolarHBondContact O-N 2.75Å; I21-L24 PolarHBondContact O-N 3.21Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.89Å; L24-V27 WeakPolarHBondContact O-CB 2.96Å; L24-V27 PolarHBondContact O-N 2.76Å; L24-E28 WeakPolarHBondContact O-CB 3.47Å; L24-E28 PolarHBondContact O-N 3Å; L24-A39 HydrophobicContact CD2-CB 3.72Å; L24-F40 HydrophobicContact CD1-CD1 4.29Å; L24-F40 HydrophobicContact CD1-CE1 4.08Å; L24-F40 HydrophobicContact CD2-CD1 3.73Å; L24-F40 HydrophobicContact CD2-CD2 4.12Å; L24-F40 HydrophobicContact CD2-CE1 3.76Å; L24-F40 HydrophobicContact CD2-CE2 4.13Å; L24-F40 HydrophobicContact CD2-CG 3.93Å; L24-F40 HydrophobicContact CD2-CZ 3.95Å; L24-F40 HydrophobicContact CG-CE1 4.39Å; L24-F43 HydrophobicContact CD1-CB 4.32Å; L24-F43 HydrophobicContact CD1-CD1 3.98Å; L24-F43 HydrophobicContact CD1-CD2 4.04Å; L24-F43 HydrophobicContact CD1-CE1 4.25Å; L24-F43 HydrophobicContact CD1-CE2 4.29Å; L24-F43 HydrophobicContact CD1-CG 3.86Å; L24-F43 HydrophobicContact CD1-CZ 4.38Å; L24-Y53 HydrophobicContact CD1-CD1 3.54Å; L24-Y53 HydrophobicContact CD1-CE1 3.84Å; L24-Y53 HydrophobicContact CD1-CG 4.4Å |
| 25 | D | 91.6 | Very high | 88 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 27% | 0.273 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.2 | -30.7 | 173.9 | -83 | 5.9 | 0 | 0 | 0 | 112.8 | I21 K29 K56 | I21-D25 WeakPolarHBondContact O-CB 3.23Å; I21-D25 PolarHBondContact O-N 3.13Å; D25-K29 WeakPolarHBondContact O-CB 3.47Å; D25-K29 WeakPolarHBondContact O-CD 3.5Å; D25-K29 WeakPolarHBondContact O-CG 3.44Å; D25-K29 PolarHBondContact O-N 2.89Å; D25-K56 IonicContact OD1-NZ 3.82Å; D25-K56 PolarHBondContact OD1-NZ 2.92Å |
| 26 | L | 90.6 | Very high | 88.8 | Confident | 32 Ų | 32 | 50 Ų | 50 | 17% | 0.168 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -71.7 | -45 | 173.3 | 177.7 | 65.9 | 0 | 0 | 0 | 111.1 | M1 L6 S22 L23 L24 K29 Q30 | M1-L26 WeakPolarHBondContact O-CD2 3.45Å; L6-L26 HydrophobicContact CD1-CB 4.38Å; L6-L26 HydrophobicContact CD1-CD2 3.92Å; S22-L26 WeakPolarHBondContact O-CB 3.38Å; S22-L26 PolarHBondContact O-N 3.03Å; L23-L26 WeakPolarHBondContact O-CB 3.36Å; L23-L26 PolarHBondContact O-N 3.27Å; L24-L26 VanDerWaalsContact C-N 3.29Å; L24-L26 PolarHBondContact O-N 2.89Å; L26-K29 PolarHBondContact O-N 3.2Å; L26-Q30 HydrophobicContact CD1-CG 4.4Å; L26-Q30 WeakPolarHBondContact O-CB 3.27Å; L26-Q30 WeakPolarHBondContact O-CG 3.45Å; L26-Q30 PolarHBondContact O-N 2.76Å |
| 27 | V | 90.9 | Very high | 89.4 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.3 | -45.3 | 177.3 | 153.1 | 0 | 0 | 0 | 0 | 111.6 | F3 L23 L24 Q30 Q31 A36 A39 F40 M60 | F3-V27 HydrophobicContact CD2-CG2 3.81Å; F3-V27 HydrophobicContact CE2-CG2 3.72Å; L23-V27 WeakPolarHBondContact O-CB 3.39Å; L23-V27 WeakPolarHBondContact O-CG2 3.44Å; L23-V27 PolarHBondContact O-N 2.9Å; L24-V27 WeakPolarHBondContact O-CB 2.96Å; L24-V27 PolarHBondContact O-N 2.76Å; V27-Q30 PolarHBondContact O-N 3.34Å; V27-Q31 PolarHBondContact O-N 2.99Å; V27-A36 VanDerWaalsContact CG1-CA 3.42Å; V27-A36 HydrophobicContact CG1-CB 3.52Å; V27-A39 HydrophobicContact CG2-CB 4.08Å; V27-F40 HydrophobicContact CG1-CE2 4.45Å; V27-M60 HydrophobicContact CG1-CE 4.05Å; V27-M60 HydrophobicContact CG1-SD 4.42Å |
| 28 | E | 89.9 | Confident | 89.8 | Confident | 72 Ų | 72 | 50.7 Ų | 50.7 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.4 | -44.7 | 177.2 | -173.6 | 175.7 | 170.7 | 0 | 0 | 111.3 | L24 Q30 Q31 K56 M60 | L24-E28 WeakPolarHBondContact O-CB 3.47Å; L24-E28 PolarHBondContact O-N 3Å; E28-Q30 PolarHBondContact O-N 3.22Å; E28-Q31 VanDerWaalsContact O-CG 3.26Å; E28-Q31 WeakPolarHBondContact O-CG 3.42Å; E28-Q31 PolarHBondContact O-N 2.99Å; E28-K56 IonicContact OE1-NZ 2.75Å; E28-K56 WeakPolarHBondContact OE2-CD 3.42Å; E28-K56 VanDerWaalsContact OE2-CE 3.3Å; E28-K56 WeakPolarHBondContact OE2-CE 3.34Å; E28-K56 IonicContact OE2-NZ 3.79Å; E28-K56 PolarHBondContact OE2-NZ 3.48Å; E28-M60 HydrophobicContact CB-SD 4.26Å; E28-M60 HydrophobicContact CG-SD 4.43Å |
| 29 | K | 89.6 | Confident | 90.1 | Very high | 161 Ų | 161 | 48.2 Ų | 48.2 | 70% | 0.7 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -67 | -32.9 | 176 | -71.6 | 164.9 | -168 | 155.8 | 0 | 113.4 | D25 L26 | D25-K29 WeakPolarHBondContact O-CB 3.47Å; D25-K29 WeakPolarHBondContact O-CD 3.5Å; D25-K29 WeakPolarHBondContact O-CG 3.44Å; D25-K29 PolarHBondContact O-N 2.89Å; L26-K29 PolarHBondContact O-N 3.2Å |
| 30 | Q | 87.6 | Confident | 90.4 | Very high | 90 Ų | 90 | 47.9 Ų | 47.9 | 42% | 0.421 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -79 | -21 | 175.6 | -73.2 | -178.3 | 3.6 | 0 | 0 | 113.1 | L26 V27 E28 N32 | L26-Q30 HydrophobicContact CD1-CG 4.4Å; L26-Q30 WeakPolarHBondContact O-CB 3.27Å; L26-Q30 WeakPolarHBondContact O-CG 3.45Å; L26-Q30 PolarHBondContact O-N 2.76Å; V27-Q30 PolarHBondContact O-N 3.34Å; E28-Q30 PolarHBondContact O-N 3.22Å; Q30-N32 PolarHBondContact O-N 3.26Å |
| 31 | Q | 82.6 | Confident | 90.6 | Very high | 110 Ų | 110 | 51 Ų | 51 | 51% | 0.514 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46 | 32.8 | -172.2 | -58.3 | -166.1 | -7.5 | 0 | 0 | 114.7 | V27 E28 K64 | V27-Q31 PolarHBondContact O-N 2.99Å; E28-Q31 VanDerWaalsContact O-CG 3.26Å; E28-Q31 WeakPolarHBondContact O-CG 3.42Å; E28-Q31 PolarHBondContact O-N 2.99Å; Q31-K64 WeakPolarHBondContact O-CE 3.33Å; Q31-K64 PolarHBondContact O-NZ 2.9Å |
| 32 | N | 86.4 | Confident | 90.6 | Very high | 58 Ų | 58 | 49.6 Ų | 49.6 | 31% | 0.31 | 24% | 0.242 | S | C | . | . | trans | -87.4 | 112.8 | 172.7 | -176.4 | -11.2 | 0 | 0 | 0 | 109 | Q30 E34 Y35 A36 | Q30-N32 PolarHBondContact O-N 3.26Å; N32-E34 PolarHBondContact O-N 3.29Å; N32-E34 PolarHBondContact OD1-N 2.85Å; N32-Y35 HydrophobicContact CB-CD2 4.03Å; N32-Y35 HydrophobicContact CB-CG 4.41Å; N32-Y35 WeakPolarHBondContact ND2-CD2 3.49Å; N32-Y35 VanDerWaalsContact ND2-CE2 3.33Å; N32-Y35 WeakPolarHBondContact ND2-CE2 3.42Å; N32-A36 WeakPolarHBondContact O-CB 3.04Å; N32-A36 PolarHBondContact O-N 3.18Å | ||
| 33 | I | 89 | Confident | 90.8 | Very high | 21 Ų | 21 | 46.9 Ų | 46.9 | 11% | 0.108 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -73.1 | -27.4 | -170.1 | -161 | 63.8 | 0 | 0 | 0 | 113.5 | A36 R37 M60 E61 K64 | I33-A36 HydrophobicContact CD1-CB 4.32Å; I33-A36 WeakPolarHBondContact O-CB 3.33Å; I33-A36 PolarHBondContact O-N 3.1Å; I33-R37 WeakPolarHBondContact O-CG 3.42Å; I33-R37 PolarHBondContact O-N 3.31Å; I33-M60 HydrophobicContact CD1-CB 4.3Å; I33-E61 HydrophobicContact CD1-CG 4.06Å; I33-E61 WeakPolarHBondContact CG1-OE2 3.41Å; I33-K64 HydrophobicContact CB-CG 4.21Å; I33-K64 HydrophobicContact CD1-CG 4.2Å; I33-K64 HydrophobicContact CG1-CG 4.27Å |
| 34 | E | 90 | Very high | 90.9 | Very high | 106 Ų | 106 | 47.7 Ų | 47.7 | 50% | 0.495 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -76.3 | -41.2 | 178.5 | -50.9 | -49.8 | 149.6 | 0 | 0 | 111.2 | N32 A36 R37 Q38 | N32-E34 PolarHBondContact O-N 3.29Å; N32-E34 PolarHBondContact OD1-N 2.85Å; E34-A36 PolarHBondContact O-N 3.05Å; E34-R37 PolarHBondContact O-N 3.34Å; E34-R37 IonicContact OE1-CZ 3.85Å; E34-R37 IonicContact OE1-NH1 2.75Å; E34-R37 PolarHBondContact OE1-NH1 3.35Å; E34-R37 IonicContact OE2-CZ 2.82Å; E34-R37 IonicContact OE2-NH1 2.63Å; E34-R37 PolarHBondContact OE2-NH1 2.97Å; E34-Q38 WeakPolarHBondContact O-CB 3.2Å; E34-Q38 PolarHBondContact O-N 2.85Å |
| 35 | Y | 90.8 | Very high | 90.9 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 29% | 0.286 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.1 | -30.4 | 168.2 | -67.1 | -16.4 | 0 | 0 | 0 | 111.9 | F3 N32 A39 | F3-Y35 HydrophobicContact CB-CD2 4.35Å; F3-Y35 HydrophobicContact CB-CE2 4.47Å; F3-Y35 AromaticContact CD1-CD1 3.99Å; F3-Y35 HydrophobicContact CD1-CD1 3.99Å; F3-Y35 HydrophobicContact CD1-CD2 4.13Å; F3-Y35 HydrophobicContact CD1-CE1 4.14Å; F3-Y35 HydrophobicContact CD1-CE2 4.28Å; F3-Y35 HydrophobicContact CD1-CG 4Å; F3-Y35 HydrophobicContact CD2-CD2 4.27Å; F3-Y35 HydrophobicContact CD2-CG 4.16Å; F3-Y35 AromaticContact CE1-CD1 3.68Å; F3-Y35 HydrophobicContact CE1-CD1 3.68Å; F3-Y35 HydrophobicContact CE1-CE1 4.1Å; F3-Y35 AromaticContact CE1-CG 3.94Å; F3-Y35 HydrophobicContact CE1-CG 3.94Å; F3-Y35 HydrophobicContact CE2-CG 4.1Å; F3-Y35 AromaticContact CG-CD2 3.99Å; F3-Y35 HydrophobicContact CG-CD2 3.99Å; F3-Y35 HydrophobicContact CG-CE2 4.38Å; F3-Y35 HydrophobicContact CG-CG 4.12Å; F3-Y35 HydrophobicContact CZ-CD1 4Å; F3-Y35 AromaticContact CZ-CG 3.99Å; F3-Y35 HydrophobicContact CZ-CG 3.99Å; N32-Y35 HydrophobicContact CB-CD2 4.03Å; N32-Y35 HydrophobicContact CB-CG 4.41Å; N32-Y35 WeakPolarHBondContact ND2-CD2 3.49Å; N32-Y35 VanDerWaalsContact ND2-CE2 3.33Å; N32-Y35 WeakPolarHBondContact ND2-CE2 3.42Å; Y35-A39 VanDerWaalsContact O-CB 3.24Å; Y35-A39 WeakPolarHBondContact O-CB 3.42Å; Y35-A39 PolarHBondContact O-N 2.78Å |
| 36 | A | 91.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -54.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V27 N32 I33 E34 Q38 A39 F40 M60 | V27-A36 VanDerWaalsContact CG1-CA 3.42Å; V27-A36 HydrophobicContact CG1-CB 3.52Å; N32-A36 WeakPolarHBondContact O-CB 3.04Å; N32-A36 PolarHBondContact O-N 3.18Å; I33-A36 HydrophobicContact CD1-CB 4.32Å; I33-A36 WeakPolarHBondContact O-CB 3.33Å; I33-A36 PolarHBondContact O-N 3.1Å; E34-A36 PolarHBondContact O-N 3.05Å; A36-Q38 VanDerWaalsContact C-N 3.31Å; A36-Q38 PolarHBondContact O-N 2.7Å; A36-A39 PolarHBondContact O-N 3.4Å; A36-A39 VanDerWaalsContact O-N 3.13Å; A36-F40 HydrophobicContact CB-CD2 4.18Å; A36-F40 HydrophobicContact CB-CE2 4.34Å; A36-F40 WeakPolarHBondContact O-CB 3.48Å; A36-F40 VanDerWaalsContact O-CD2 3.24Å; A36-F40 WeakPolarHBondContact O-CD2 3.39Å; A36-F40 PolarHBondContact O-N 2.94Å; A36-M60 HydrophobicContact CB-CE 3.75Å; A36-M60 HydrophobicContact CB-SD 4.34Å |
| 37 | R | 93.9 | Very high | 90.6 | Very high | 35 Ų | 35 | 56.6 Ų | 56.6 | 13% | 0.132 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.8 | -51.8 | 175.4 | -70.1 | 167.9 | -172.3 | 142 | 13 | 110.9 | I33 E34 A39 F40 D41 F57 E61 N66 R69 | I33-R37 WeakPolarHBondContact O-CG 3.42Å; I33-R37 PolarHBondContact O-N 3.31Å; E34-R37 PolarHBondContact O-N 3.34Å; E34-R37 IonicContact OE1-CZ 3.85Å; E34-R37 IonicContact OE1-NH1 2.75Å; E34-R37 PolarHBondContact OE1-NH1 3.35Å; E34-R37 IonicContact OE2-CZ 2.82Å; E34-R37 IonicContact OE2-NH1 2.63Å; E34-R37 PolarHBondContact OE2-NH1 2.97Å; R37-A39 VanDerWaalsContact C-N 3.34Å; R37-A39 PolarHBondContact O-N 3.02Å; R37-F40 PolarHBondContact O-N 2.88Å; R37-D41 WeakPolarHBondContact O-CB 3.24Å; R37-D41 PolarHBondContact O-N 3.31Å; R37-F57 HydrophobicContact CB-CZ 4.4Å; R37-F57 HydrophobicContact CG-CE2 4Å; R37-F57 HydrophobicContact CG-CZ 3.92Å; R37-E61 IonicContact CZ-OE1 3.49Å; R37-E61 IonicContact CZ-OE2 3.17Å; R37-E61 IonicContact NE-OE1 3.8Å; R37-E61 PolarHBondContact NE-OE1 3.41Å; R37-E61 VanDerWaalsContact NH2-CD 3.29Å; R37-E61 IonicContact NH2-OE1 2.75Å; R37-E61 PolarHBondContact NH2-OE1 3.29Å; R37-E61 IonicContact NH2-OE2 3.72Å; R37-E61 PolarHBondContact NH2-OE2 3.26Å; R37-N66 PolarHBondContact NH2-ND2 3.28Å; R37-R69 VanDerWaalsContact NH2-NH1 3.15Å |
| 38 | Q | 92.9 | Very high | 90.7 | Very high | 84 Ų | 84 | 57 Ų | 57 | 39% | 0.393 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -57.5 | -43.2 | 179.1 | -171.6 | 178.1 | 16.2 | 0 | 0 | 113 | W7 E34 A36 A42 | W7-Q38 HydrophobicContact CE3-CG 4.36Å; W7-Q38 HydrophobicContact CH2-CG 3.58Å; W7-Q38 HydrophobicContact CZ2-CG 3.98Å; W7-Q38 HydrophobicContact CZ3-CG 3.8Å; W7-Q38 VanDerWaalsContact CZ3-O 3.31Å; W7-Q38 WeakPolarHBondContact CZ3-O 3.47Å; E34-Q38 WeakPolarHBondContact O-CB 3.2Å; E34-Q38 PolarHBondContact O-N 2.85Å; A36-Q38 VanDerWaalsContact C-N 3.31Å; A36-Q38 PolarHBondContact O-N 2.7Å; Q38-A42 WeakPolarHBondContact O-CB 3.49Å; Q38-A42 PolarHBondContact O-N 2.75Å |
| 39 | A | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -71.1 | -47.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | F3 L23 L24 V27 Y35 A36 R37 F43 | F3-A39 HydrophobicContact CE2-CB 4.4Å; L23-A39 HydrophobicContact CD2-CB 4.04Å; L23-A39 HydrophobicContact CG-CB 4.14Å; L24-A39 HydrophobicContact CD2-CB 3.72Å; V27-A39 HydrophobicContact CG2-CB 4.08Å; Y35-A39 VanDerWaalsContact O-CB 3.24Å; Y35-A39 WeakPolarHBondContact O-CB 3.42Å; Y35-A39 PolarHBondContact O-N 2.78Å; A36-A39 PolarHBondContact O-N 3.4Å; A36-A39 VanDerWaalsContact O-N 3.13Å; R37-A39 VanDerWaalsContact C-N 3.34Å; R37-A39 PolarHBondContact O-N 3.02Å; A39-F43 VanDerWaalsContact O-CB 3.27Å; A39-F43 WeakPolarHBondContact O-CB 3.38Å; A39-F43 PolarHBondContact O-N 3.27Å |
| 40 | F | 94.1 | Very high | 91 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.2 | -44.4 | -179.9 | -78.8 | -70.2 | 0 | 0 | 0 | 112 | L24 V27 A36 R37 A42 F43 F44 Y53 K56 F57 M60 | L24-F40 HydrophobicContact CD1-CD1 4.29Å; L24-F40 HydrophobicContact CD1-CE1 4.08Å; L24-F40 HydrophobicContact CD2-CD1 3.73Å; L24-F40 HydrophobicContact CD2-CD2 4.12Å; L24-F40 HydrophobicContact CD2-CE1 3.76Å; L24-F40 HydrophobicContact CD2-CE2 4.13Å; L24-F40 HydrophobicContact CD2-CG 3.93Å; L24-F40 HydrophobicContact CD2-CZ 3.95Å; L24-F40 HydrophobicContact CG-CE1 4.39Å; V27-F40 HydrophobicContact CG1-CE2 4.45Å; A36-F40 HydrophobicContact CB-CD2 4.18Å; A36-F40 HydrophobicContact CB-CE2 4.34Å; A36-F40 WeakPolarHBondContact O-CB 3.48Å; A36-F40 VanDerWaalsContact O-CD2 3.24Å; A36-F40 WeakPolarHBondContact O-CD2 3.39Å; A36-F40 PolarHBondContact O-N 2.94Å; R37-F40 PolarHBondContact O-N 2.88Å; F40-A42 VanDerWaalsContact C-N 3.26Å; F40-A42 PolarHBondContact O-N 2.97Å; F40-F43 PolarHBondContact O-N 3.14Å; F40-F43 VanDerWaalsContact O-N 3.17Å; F40-F44 HydrophobicContact CB-CD2 4.22Å; F40-F44 HydrophobicContact CB-CE2 3.76Å; F40-F44 AromaticContact CD1-CE2 3.88Å; F40-F44 HydrophobicContact CD1-CE2 3.88Å; F40-F44 AromaticContact CD1-CZ 3.79Å; F40-F44 HydrophobicContact CD1-CZ 3.79Å; F40-F44 HydrophobicContact CG-CE2 4.23Å; F40-F44 WeakPolarHBondContact O-CD2 3.37Å; F40-F44 WeakPolarHBondContact O-CG 3.47Å; F40-F44 PolarHBondContact O-N 2.7Å; F40-Y53 HydrophobicContact CE1-CD1 4.25Å; F40-K56 HydrophobicContact CZ-CB 4.24Å; F40-F57 HydrophobicContact CB-CB 4.41Å; F40-F57 HydrophobicContact CB-CD1 3.81Å; F40-F57 HydrophobicContact CB-CD2 4.1Å; F40-F57 HydrophobicContact CB-CE1 3.99Å; F40-F57 HydrophobicContact CB-CE2 4.29Å; F40-F57 HydrophobicContact CB-CG 3.86Å; F40-F57 HydrophobicContact CB-CZ 4.24Å; F40-F57 HydrophobicContact CD1-CB 3.83Å; F40-F57 HydrophobicContact CD1-CG 4.22Å; F40-F57 HydrophobicContact CD2-CB 3.84Å; F40-F57 HydrophobicContact CD2-CD1 4.48Å; F40-F57 AromaticContact CD2-CD2 3.4Å; F40-F57 HydrophobicContact CD2-CD2 3.4Å; F40-F57 VanDerWaalsContact CD2-CD2 3.4Å; F40-F57 HydrophobicContact CD2-CE2 4.06Å; F40-F57 AromaticContact CD2-CG 3.67Å; F40-F57 HydrophobicContact CD2-CG 3.67Å; F40-F57 HydrophobicContact CE1-CB 3.96Å; F40-F57 HydrophobicContact CE2-CB 4Å; F40-F57 AromaticContact CE2-CD2 3.99Å; F40-F57 HydrophobicContact CE2-CD2 3.99Å; F40-F57 HydrophobicContact CE2-CG 4.25Å; F40-F57 HydrophobicContact CG-CB 3.78Å; F40-F57 HydrophobicContact CG-CD1 4.11Å; F40-F57 AromaticContact CG-CD2 3.87Å; F40-F57 HydrophobicContact CG-CD2 3.87Å; F40-F57 HydrophobicContact CG-CE2 4.49Å; F40-F57 AromaticContact CG-CG 3.66Å; F40-F57 HydrophobicContact CG-CG 3.66Å; F40-F57 HydrophobicContact CZ-CB 4.06Å; F40-M60 HydrophobicContact CE2-SD 3.84Å; F40-M60 HydrophobicContact CZ-SD 4.39Å |
| 41 | D | 94 | Very high | 91.3 | Very high | 70 Ų | 70 | 45.3 Ų | 45.3 | 37% | 0.374 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.5 | -32.4 | 178.5 | -69.2 | -17.7 | 0 | 0 | 0 | 112.5 | R37 K45 | R37-D41 WeakPolarHBondContact O-CB 3.24Å; R37-D41 PolarHBondContact O-N 3.31Å; D41-K45 WeakPolarHBondContact O-CD 3.45Å; D41-K45 VanDerWaalsContact O-CE 3.31Å; D41-K45 WeakPolarHBondContact O-CE 3.24Å; D41-K45 VanDerWaalsContact O-CG 3.22Å; D41-K45 WeakPolarHBondContact O-CG 3.17Å |
| 42 | A | 92.3 | Very high | 91.8 | Very high | 21 Ų | 21 | 41.7 Ų | 41.7 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -78.6 | -38.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | W7 W20 Q38 F40 K45 | W7-A42 HydrophobicContact CH2-CB 3.63Å; W7-A42 HydrophobicContact CZ3-CB 3.75Å; W20-A42 HydrophobicContact CH2-CB 3.75Å; W20-A42 HydrophobicContact CZ3-CB 3.93Å; Q38-A42 WeakPolarHBondContact O-CB 3.49Å; Q38-A42 PolarHBondContact O-N 2.75Å; F40-A42 VanDerWaalsContact C-N 3.26Å; F40-A42 PolarHBondContact O-N 2.97Å; A42-K45 PolarHBondContact O-N 3.49Å |
| 43 | F | 92.8 | Very high | 92.1 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -62.1 | -47.5 | 175.2 | 173.9 | -105.6 | 0 | 0 | 0 | 112.2 | F17 W20 L24 A39 F40 K45 R46 F47 C50 Y53 | F17-F43 HydrophobicContact CD2-CE2 4.21Å; F17-F43 AromaticContact CE2-CE2 3.81Å; F17-F43 HydrophobicContact CE2-CE2 3.81Å; F17-F43 AromaticContact CE2-CZ 3.9Å; F17-F43 HydrophobicContact CE2-CZ 3.9Å; W20-F43 HydrophobicContact CB-CD2 3.72Å; W20-F43 HydrophobicContact CB-CE2 3.96Å; W20-F43 HydrophobicContact CD2-CB 4.48Å; W20-F43 HydrophobicContact CD2-CD2 4.01Å; W20-F43 HydrophobicContact CE3-CB 3.8Å; W20-F43 HydrophobicContact CE3-CD2 4.07Å; W20-F43 HydrophobicContact CE3-CG 4.44Å; W20-F43 AromaticContact CG-CD2 3.88Å; W20-F43 HydrophobicContact CG-CD2 3.88Å; W20-F43 HydrophobicContact CG-CE2 4.43Å; W20-F43 HydrophobicContact CZ3-CB 4.08Å; L24-F43 HydrophobicContact CD1-CB 4.32Å; L24-F43 HydrophobicContact CD1-CD1 3.98Å; L24-F43 HydrophobicContact CD1-CD2 4.04Å; L24-F43 HydrophobicContact CD1-CE1 4.25Å; L24-F43 HydrophobicContact CD1-CE2 4.29Å; L24-F43 HydrophobicContact CD1-CG 3.86Å; L24-F43 HydrophobicContact CD1-CZ 4.38Å; A39-F43 VanDerWaalsContact O-CB 3.27Å; A39-F43 WeakPolarHBondContact O-CB 3.38Å; A39-F43 PolarHBondContact O-N 3.27Å; F40-F43 PolarHBondContact O-N 3.14Å; F40-F43 VanDerWaalsContact O-N 3.17Å; F43-K45 VanDerWaalsContact C-N 3.25Å; F43-K45 PolarHBondContact O-N 2.89Å; F43-R46 PolarHBondContact O-N 3.33Å; F43-F47 HydrophobicContact CD2-CB 4.25Å; F43-F47 AromaticContact CD2-CD2 3.77Å; F43-F47 HydrophobicContact CD2-CD2 3.77Å; F43-F47 HydrophobicContact CD2-CG 4.44Å; F43-F47 HydrophobicContact CE1-CB 4.23Å; F43-F47 HydrophobicContact CE2-CB 3.74Å; F43-F47 AromaticContact CE2-CD2 3.61Å; F43-F47 HydrophobicContact CE2-CD2 3.61Å; F43-F47 AromaticContact CE2-CG 3.96Å; F43-F47 HydrophobicContact CE2-CG 3.96Å; F43-F47 HydrophobicContact CZ-CB 3.75Å; F43-F47 HydrophobicContact CZ-CD2 4.46Å; F43-F47 HydrophobicContact CZ-CG 4.41Å; F43-F47 PolarHBondContact O-N 3.09Å; F43-C50 HydrophobicContact CE1-CB 3.96Å; F43-C50 HydrophobicContact CZ-CB 3.97Å; F43-Y53 HydrophobicContact CE1-CD1 4.36Å; F43-Y53 HydrophobicContact CE1-CD2 4Å; F43-Y53 AromaticContact CE1-CG 3.77Å; F43-Y53 HydrophobicContact CE1-CG 3.77Å; F43-Y53 HydrophobicContact CZ-CD2 4Å; F43-Y53 HydrophobicContact CZ-CE2 4.3Å; F43-Y53 HydrophobicContact CZ-CG 4.11Å |
| 44 | F | 93.6 | Very high | 92.5 | Very high | 17 Ų | 17 | 40.5 Ų | 40.5 | 8% | 0.075 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -68.1 | -22.4 | -179 | -62.7 | -50.1 | 0 | 0 | 0 | 113.4 | F40 R46 P48 W54 F57 | F40-F44 HydrophobicContact CB-CD2 4.22Å; F40-F44 HydrophobicContact CB-CE2 3.76Å; F40-F44 AromaticContact CD1-CE2 3.88Å; F40-F44 HydrophobicContact CD1-CE2 3.88Å; F40-F44 AromaticContact CD1-CZ 3.79Å; F40-F44 HydrophobicContact CD1-CZ 3.79Å; F40-F44 HydrophobicContact CG-CE2 4.23Å; F40-F44 WeakPolarHBondContact O-CD2 3.37Å; F40-F44 WeakPolarHBondContact O-CG 3.47Å; F40-F44 PolarHBondContact O-N 2.7Å; F44-R46 PolarHBondContact O-N 2.7Å; F44-P48 WeakPolarHBondContact O-CA 3.44Å; F44-P48 WeakPolarHBondContact O-CB 3.31Å; F44-P48 WeakPolarHBondContact O-CD 3.28Å; F44-W54 HydrophobicContact CB-CH2 4.14Å; F44-W54 HydrophobicContact CB-CZ2 3.73Å; F44-W54 AromaticContact CD1-CD1 3.96Å; F44-W54 HydrophobicContact CD1-CD2 4.03Å; F44-W54 AromaticContact CD1-CE2 3.44Å; F44-W54 VanDerWaalsContact CD1-CE2 3.44Å; F44-W54 HydrophobicContact CD1-CG 4.37Å; F44-W54 AromaticContact CD1-CZ2 3.74Å; F44-W54 HydrophobicContact CD1-CZ2 3.74Å; F44-W54 AromaticContact CD1-NE1 3.4Å; F44-W54 HydrophobicContact CD2-CD2 4.13Å; F44-W54 AromaticContact CD2-CE2 3.95Å; F44-W54 HydrophobicContact CD2-CE3 4.08Å; F44-W54 AromaticContact CD2-CH2 3.72Å; F44-W54 HydrophobicContact CD2-CH2 3.72Å; F44-W54 AromaticContact CD2-CZ2 3.77Å; F44-W54 HydrophobicContact CD2-CZ2 3.77Å; F44-W54 AromaticContact CD2-CZ3 3.87Å; F44-W54 HydrophobicContact CD2-CZ3 3.87Å; F44-W54 AromaticContact CE1-CD1 3.48Å; F44-W54 VanDerWaalsContact CE1-CD1 3.48Å; F44-W54 AromaticContact CE1-CD2 3.7Å; F44-W54 HydrophobicContact CE1-CD2 3.7Å; F44-W54 AromaticContact CE1-CE2 3.58Å; F44-W54 HydrophobicContact CE1-CE3 4.48Å; F44-W54 AromaticContact CE1-CG 3.69Å; F44-W54 HydrophobicContact CE1-CG 3.69Å; F44-W54 HydrophobicContact CE1-CZ2 4.29Å; F44-W54 AromaticContact CE1-NE1 3.44Å; F44-W54 AromaticContact CE2-CD2 3.79Å; F44-W54 HydrophobicContact CE2-CD2 3.79Å; F44-W54 AromaticContact CE2-CE3 3.74Å; F44-W54 HydrophobicContact CE2-CE3 3.74Å; F44-W54 HydrophobicContact CE2-CG 4.4Å; F44-W54 HydrophobicContact CE2-CH2 4.25Å; F44-W54 HydrophobicContact CE2-CZ2 4.3Å; F44-W54 AromaticContact CE2-CZ3 3.96Å; F44-W54 HydrophobicContact CE2-CZ3 3.96Å; F44-W54 HydrophobicContact CG-CD2 4.26Å; F44-W54 AromaticContact CG-CE2 3.65Å; F44-W54 AromaticContact CG-CH2 3.89Å; F44-W54 HydrophobicContact CG-CH2 3.89Å; F44-W54 AromaticContact CG-CZ2 3.47Å; F44-W54 HydrophobicContact CG-CZ2 3.47Å; F44-W54 VanDerWaalsContact CG-CZ2 3.47Å; F44-W54 HydrophobicContact CG-CZ3 4.43Å; F44-W54 HydrophobicContact CZ-CB 4.31Å; F44-W54 AromaticContact CZ-CD2 3.59Å; F44-W54 HydrophobicContact CZ-CD2 3.59Å; F44-W54 AromaticContact CZ-CE2 3.91Å; F44-W54 AromaticContact CZ-CE3 3.98Å; F44-W54 HydrophobicContact CZ-CE3 3.98Å; F44-W54 AromaticContact CZ-CG 3.72Å; F44-W54 HydrophobicContact CZ-CG 3.72Å; F44-F57 AromaticContact CE2-CD1 3.86Å; F44-F57 HydrophobicContact CE2-CD1 3.86Å |
| 45 | K | 90.8 | Very high | 92.7 | Very high | 135 Ų | 135 | 37.7 Ų | 37.7 | 59% | 0.587 | 18% | 0.176 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70 | 0.4 | 168.4 | -70.4 | 166.2 | -169.1 | 166.1 | 0 | 113.9 | D41 A42 F43 | D41-K45 WeakPolarHBondContact O-CD 3.45Å; D41-K45 VanDerWaalsContact O-CE 3.31Å; D41-K45 WeakPolarHBondContact O-CE 3.24Å; D41-K45 VanDerWaalsContact O-CG 3.22Å; D41-K45 WeakPolarHBondContact O-CG 3.17Å; A42-K45 PolarHBondContact O-N 3.49Å; F43-K45 VanDerWaalsContact C-N 3.25Å; F43-K45 PolarHBondContact O-N 2.89Å |
| 46 | R | 86.4 | Confident | 92.8 | Very high | 118 Ų | 118 | 37.1 Ų | 37.1 | 45% | 0.445 | 18% | 0.175 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -131 | -42 | 178 | -60.2 | -64.3 | 176.9 | -107.4 | 6.8 | 112.5 | F43 F44 P48 | F43-R46 PolarHBondContact O-N 3.33Å; F44-R46 PolarHBondContact O-N 2.7Å; R46-P48 VanDerWaalsContact O-CD 3.31Å; R46-P48 WeakPolarHBondContact O-CD 3.38Å |
| 47 | F | 90.9 | Very high | 92.9 | Very high | 17 Ų | 17 | 37.3 Ų | 37.3 | 8% | 0.075 | 18% | 0.176 | C | C | . | . | trans | -122.8 | 57.5 | -177.3 | -58.5 | -72.2 | 0 | 0 | 0 | 111.9 | F17 W20 F43 Y49 C50 F270 V272 | F17-F47 HydrophobicContact CB-CZ 4.5Å; F17-F47 HydrophobicContact CD2-CD1 4.05Å; F17-F47 HydrophobicContact CD2-CD2 4.1Å; F17-F47 HydrophobicContact CD2-CE1 4.06Å; F17-F47 HydrophobicContact CD2-CE2 4.11Å; F17-F47 HydrophobicContact CD2-CG 4.06Å; F17-F47 HydrophobicContact CD2-CZ 4.09Å; F17-F47 HydrophobicContact CE2-CB 4.49Å; F17-F47 HydrophobicContact CE2-CD1 4.3Å; F17-F47 HydrophobicContact CE2-CD2 4.48Å; F17-F47 HydrophobicContact CE2-CG 4.16Å; W20-F47 AromaticContact CD1-CE2 3.65Å; W20-F47 HydrophobicContact CG-CE2 4.35Å; W20-F47 AromaticContact NE1-CE2 3.88Å; F43-F47 HydrophobicContact CD2-CB 4.25Å; F43-F47 AromaticContact CD2-CD2 3.77Å; F43-F47 HydrophobicContact CD2-CD2 3.77Å; F43-F47 HydrophobicContact CD2-CG 4.44Å; F43-F47 HydrophobicContact CE1-CB 4.23Å; F43-F47 HydrophobicContact CE2-CB 3.74Å; F43-F47 AromaticContact CE2-CD2 3.61Å; F43-F47 HydrophobicContact CE2-CD2 3.61Å; F43-F47 AromaticContact CE2-CG 3.96Å; F43-F47 HydrophobicContact CE2-CG 3.96Å; F43-F47 HydrophobicContact CZ-CB 3.75Å; F43-F47 HydrophobicContact CZ-CD2 4.46Å; F43-F47 HydrophobicContact CZ-CG 4.41Å; F43-F47 PolarHBondContact O-N 3.09Å; F47-Y49 PolarHBondContact O-N 3.34Å; F47-C50 PolarHBondContact O-N 2.96Å; F47-F270 AromaticContact CD1-CE1 3.99Å; F47-F270 HydrophobicContact CD1-CE1 3.99Å; F47-F270 HydrophobicContact CD1-CZ 4.12Å; F47-V272 HydrophobicContact CD1-CG2 4.03Å; F47-V272 HydrophobicContact CE1-CG2 3.7Å | ||
| 48 | P | 93.1 | Very high | 93 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 6% | 0.058 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -32.8 | -173.8 | 24.7 | -36 | 0 | 0 | 0 | 113.4 | F44 R46 C50 W54 T80 I81 T378 | F44-P48 WeakPolarHBondContact O-CA 3.44Å; F44-P48 WeakPolarHBondContact O-CB 3.31Å; F44-P48 WeakPolarHBondContact O-CD 3.28Å; R46-P48 VanDerWaalsContact O-CD 3.31Å; R46-P48 WeakPolarHBondContact O-CD 3.38Å; P48-C50 VanDerWaalsContact C-N 3.29Å; P48-C50 PolarHBondContact O-N 3.28Å; P48-W54 PolarHBondContact O-NE1 2.99Å; P48-T80 HydrophobicContact CB-CG2 3.38Å; P48-I81 WeakPolarHBondContact O-CD1 3.21Å; P48-T378 HydrophobicContact CG-CG2 3.79Å |
| 49 | Y | 93.1 | Very high | 92.9 | Very high | 8 Ų | 8 | 34 Ų | 34 | 3% | 0.031 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 2.8 | -173.2 | -65.3 | -10.2 | 0 | 0 | 0 | 115.1 | F47 Y51 I81 L341 V342 A345 W351 R374 H379 | F47-Y49 PolarHBondContact O-N 3.34Å; Y49-Y51 VanDerWaalsContact C-N 3.31Å; Y49-Y51 PolarHBondContact O-N 2.97Å; Y49-I81 HydrophobicContact CD1-CG1 4.24Å; Y49-L341 WeakPolarHBondContact CE2-O 3.41Å; Y49-V342 HydrophobicContact CD2-CB 4.41Å; Y49-V342 HydrophobicContact CD2-CG2 4.23Å; Y49-V342 HydrophobicContact CE2-CG2 4.29Å; Y49-V342 HydrophobicContact CG-CG2 4.47Å; Y49-A345 HydrophobicContact CD2-CB 3.92Å; Y49-A345 HydrophobicContact CE2-CB 4.04Å; Y49-W351 HydrophobicContact CE2-CZ2 4.48Å; Y49-R374 PolarHBondContact OH-NH2 2.88Å; Y49-H379 AromaticContact CD2-CE1 3.48Å; Y49-H379 VanDerWaalsContact CD2-CE1 3.48Å; Y49-H379 WeakPolarHBondContact CD2-CE1 3.44Å; Y49-H379 AromaticContact CE1-CE1 3.86Å; Y49-H379 AromaticContact CE1-NE2 3.82Å; Y49-H379 AromaticContact CE2-CE1 3.32Å; Y49-H379 WeakPolarHBondContact CE2-CE1 3.38Å; Y49-H379 AromaticContact CE2-NE2 3.54Å; Y49-H379 AromaticContact CG-CE1 3.84Å; Y49-H379 AromaticContact CZ-CE1 3.54Å; Y49-H379 AromaticContact CZ-NE2 3.35Å |
| 50 | C | 92.3 | Very high | 92.8 | Very high | 12 Ų | 12 | 34.8 Ų | 34.8 | 8% | 0.081 | 17% | 0.167 | C | C | . | . | trans | -80.6 | 68.8 | 177.6 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | F43 F47 P48 G52 Y53 F270 | F43-C50 HydrophobicContact CE1-CB 3.96Å; F43-C50 HydrophobicContact CZ-CB 3.97Å; F47-C50 PolarHBondContact O-N 2.96Å; P48-C50 VanDerWaalsContact C-N 3.29Å; P48-C50 PolarHBondContact O-N 3.28Å; C50-G52 PolarHBondContact O-N 2.83Å; C50-Y53 HydrophobicContact CB-CD2 3.75Å; C50-Y53 HydrophobicContact CB-CE2 4.4Å; C50-Y53 PolarHBondContact O-N 2.86Å; C50-F270 WeakPolarHBondContact SG-CD1 3.32Å | ||
| 51 | Y | 92.6 | Very high | 92.8 | Very high | 58 Ų | 58 | 34.9 Ų | 34.9 | 23% | 0.227 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -50.2 | -32.6 | -174.1 | 75.9 | -92.9 | 0 | 0 | 0 | 115.4 | Y49 Y53 W54 K55 D86 | Y49-Y51 VanDerWaalsContact C-N 3.31Å; Y49-Y51 PolarHBondContact O-N 2.97Å; Y51-Y53 PolarHBondContact O-N 3.06Å; Y51-W54 WeakPolarHBondContact O-CB 3.19Å; Y51-W54 PolarHBondContact O-N 3.07Å; Y51-W54 VanDerWaalsContact O-N 3.14Å; Y51-K55 PolarHBondContact O-N 3.46Å; Y51-K55 VanDerWaalsContact O-N 3.15Å; Y51-D86 HydrophobicContact CD2-CB 3.71Å; Y51-D86 HydrophobicContact CE2-CB 3.37Å; Y51-D86 WeakPolarHBondContact CE2-OD2 3.28Å; Y51-D86 PolarHBondContact OH-OD2 2.75Å |
| 52 | G | 93.4 | Very high | 92.6 | Very high | 33 Ų | 33 | 36.6 Ų | 36.6 | 34% | 0.34 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -61.8 | -28.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | C50 K56 | C50-G52 PolarHBondContact O-N 2.83Å; G52-K56 PolarHBondContact O-N 3.47Å; G52-K56 VanDerWaalsContact O-N 3.14Å |
| 53 | Y | 93.9 | Very high | 92.5 | Very high | 42 Ų | 42 | 42.7 Ų | 42.7 | 17% | 0.165 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -81.4 | -28.8 | 175.8 | -67.5 | -91.1 | 0 | 0 | 0 | 112 | F17 L24 F40 F43 C50 Y51 K55 K56 F57 | F17-Y53 HydrophobicContact CZ-CE2 4.47Å; L24-Y53 HydrophobicContact CD1-CD1 3.54Å; L24-Y53 HydrophobicContact CD1-CE1 3.84Å; L24-Y53 HydrophobicContact CD1-CG 4.4Å; F40-Y53 HydrophobicContact CE1-CD1 4.25Å; F43-Y53 HydrophobicContact CE1-CD1 4.36Å; F43-Y53 HydrophobicContact CE1-CD2 4Å; F43-Y53 AromaticContact CE1-CG 3.77Å; F43-Y53 HydrophobicContact CE1-CG 3.77Å; F43-Y53 HydrophobicContact CZ-CD2 4Å; F43-Y53 HydrophobicContact CZ-CE2 4.3Å; F43-Y53 HydrophobicContact CZ-CG 4.11Å; C50-Y53 HydrophobicContact CB-CD2 3.75Å; C50-Y53 HydrophobicContact CB-CE2 4.4Å; C50-Y53 PolarHBondContact O-N 2.86Å; Y51-Y53 PolarHBondContact O-N 3.06Å; Y53-K55 VanDerWaalsContact C-N 3.33Å; Y53-K56 HydrophobicContact CD1-CD 4.37Å; Y53-K56 PolarHBondContact O-N 2.94Å; Y53-F57 WeakPolarHBondContact O-CB 3.38Å; Y53-F57 PolarHBondContact O-N 3.01Å |
| 54 | W | 96 | Very high | 92.3 | Very high | 13 Ų | 13 | 47 Ų | 47 | 5% | 0.049 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62.7 | -41.5 | 169.5 | -71.1 | 100.7 | 0 | 0 | 0 | 110.8 | F44 P48 Y51 F57 A58 V73 M76 G77 T80 L87 | F44-W54 HydrophobicContact CB-CH2 4.14Å; F44-W54 HydrophobicContact CB-CZ2 3.73Å; F44-W54 AromaticContact CD1-CD1 3.96Å; F44-W54 HydrophobicContact CD1-CD2 4.03Å; F44-W54 AromaticContact CD1-CE2 3.44Å; F44-W54 VanDerWaalsContact CD1-CE2 3.44Å; F44-W54 HydrophobicContact CD1-CG 4.37Å; F44-W54 AromaticContact CD1-CZ2 3.74Å; F44-W54 HydrophobicContact CD1-CZ2 3.74Å; F44-W54 AromaticContact CD1-NE1 3.4Å; F44-W54 HydrophobicContact CD2-CD2 4.13Å; F44-W54 AromaticContact CD2-CE2 3.95Å; F44-W54 HydrophobicContact CD2-CE3 4.08Å; F44-W54 AromaticContact CD2-CH2 3.72Å; F44-W54 HydrophobicContact CD2-CH2 3.72Å; F44-W54 AromaticContact CD2-CZ2 3.77Å; F44-W54 HydrophobicContact CD2-CZ2 3.77Å; F44-W54 AromaticContact CD2-CZ3 3.87Å; F44-W54 HydrophobicContact CD2-CZ3 3.87Å; F44-W54 AromaticContact CE1-CD1 3.48Å; F44-W54 VanDerWaalsContact CE1-CD1 3.48Å; F44-W54 AromaticContact CE1-CD2 3.7Å; F44-W54 HydrophobicContact CE1-CD2 3.7Å; F44-W54 AromaticContact CE1-CE2 3.58Å; F44-W54 HydrophobicContact CE1-CE3 4.48Å; F44-W54 AromaticContact CE1-CG 3.69Å; F44-W54 HydrophobicContact CE1-CG 3.69Å; F44-W54 HydrophobicContact CE1-CZ2 4.29Å; F44-W54 AromaticContact CE1-NE1 3.44Å; F44-W54 AromaticContact CE2-CD2 3.79Å; F44-W54 HydrophobicContact CE2-CD2 3.79Å; F44-W54 AromaticContact CE2-CE3 3.74Å; F44-W54 HydrophobicContact CE2-CE3 3.74Å; F44-W54 HydrophobicContact CE2-CG 4.4Å; F44-W54 HydrophobicContact CE2-CH2 4.25Å; F44-W54 HydrophobicContact CE2-CZ2 4.3Å; F44-W54 AromaticContact CE2-CZ3 3.96Å; F44-W54 HydrophobicContact CE2-CZ3 3.96Å; F44-W54 HydrophobicContact CG-CD2 4.26Å; F44-W54 AromaticContact CG-CE2 3.65Å; F44-W54 AromaticContact CG-CH2 3.89Å; F44-W54 HydrophobicContact CG-CH2 3.89Å; F44-W54 AromaticContact CG-CZ2 3.47Å; F44-W54 HydrophobicContact CG-CZ2 3.47Å; F44-W54 VanDerWaalsContact CG-CZ2 3.47Å; F44-W54 HydrophobicContact CG-CZ3 4.43Å; F44-W54 HydrophobicContact CZ-CB 4.31Å; F44-W54 AromaticContact CZ-CD2 3.59Å; F44-W54 HydrophobicContact CZ-CD2 3.59Å; F44-W54 AromaticContact CZ-CE2 3.91Å; F44-W54 AromaticContact CZ-CE3 3.98Å; F44-W54 HydrophobicContact CZ-CE3 3.98Å; F44-W54 AromaticContact CZ-CG 3.72Å; F44-W54 HydrophobicContact CZ-CG 3.72Å; P48-W54 PolarHBondContact O-NE1 2.99Å; Y51-W54 WeakPolarHBondContact O-CB 3.19Å; Y51-W54 PolarHBondContact O-N 3.07Å; Y51-W54 VanDerWaalsContact O-N 3.14Å; W54-F57 PolarHBondContact O-N 3.5Å; W54-A58 WeakPolarHBondContact O-CB 3.34Å; W54-A58 PolarHBondContact O-N 3.25Å; W54-A58 VanDerWaalsContact O-N 3.07Å; W54-V73 HydrophobicContact CE3-CG1 4.05Å; W54-M76 HydrophobicContact CH2-CB 4.05Å; W54-M76 HydrophobicContact CZ3-CB 3.79Å; W54-G77 VanDerWaalsContact CD2-CA 3.41Å; W54-G77 VanDerWaalsContact CE3-CA 3.46Å; W54-T80 HydrophobicContact CZ2-CG2 4.08Å; W54-L87 HydrophobicContact CB-CD1 3.8Å; W54-L87 HydrophobicContact CB-CD2 4.28Å; W54-L87 HydrophobicContact CG-CD2 4.49Å |
| 55 | K | 94.5 | Very high | 92 | Very high | 46 Ų | 46 | 48.6 Ų | 48.6 | 20% | 0.2 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57.8 | -56 | 169.7 | -66.6 | -169.5 | 175.4 | -167.9 | 0 | 111.4 | Y51 Y53 F57 A58 D59 Y74 D86 L87 A90 | Y51-K55 PolarHBondContact O-N 3.46Å; Y51-K55 VanDerWaalsContact O-N 3.15Å; Y53-K55 VanDerWaalsContact C-N 3.33Å; K55-F57 VanDerWaalsContact C-N 3.29Å; K55-F57 PolarHBondContact O-N 3.06Å; K55-A58 PolarHBondContact O-N 3.39Å; K55-A58 VanDerWaalsContact O-N 3.16Å; K55-D59 PolarHBondContact O-N 3.3Å; K55-Y74 HydrophobicContact CG-CE1 4.37Å; K55-D86 VanDerWaalsContact CE-C 3.49Å; K55-D86 WeakPolarHBondContact CE-O 3.36Å; K55-D86 PolarHBondContact NZ-O 3.41Å; K55-D86 IonicContact NZ-OD1 3.73Å; K55-D86 PolarHBondContact NZ-OD1 3.15Å; K55-L87 HydrophobicContact CG-CD1 4.08Å; K55-A90 HydrophobicContact CD-CB 4.3Å; K55-A90 HydrophobicContact CG-CB 4.42Å |
| 56 | K | 93.3 | Very high | 91.9 | Very high | 61 Ų | 61 | 45.1 Ų | 45.1 | 27% | 0.265 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -50.7 | -44.9 | 177.3 | -79.6 | -168.3 | 168.1 | -163.4 | 0 | 113 | D25 E28 F40 G52 Y53 D59 M60 | D25-K56 IonicContact OD1-NZ 3.82Å; D25-K56 PolarHBondContact OD1-NZ 2.92Å; E28-K56 IonicContact OE1-NZ 2.75Å; E28-K56 WeakPolarHBondContact OE2-CD 3.42Å; E28-K56 VanDerWaalsContact OE2-CE 3.3Å; E28-K56 WeakPolarHBondContact OE2-CE 3.34Å; E28-K56 IonicContact OE2-NZ 3.79Å; E28-K56 PolarHBondContact OE2-NZ 3.48Å; F40-K56 HydrophobicContact CZ-CB 4.24Å; G52-K56 PolarHBondContact O-N 3.47Å; G52-K56 VanDerWaalsContact O-N 3.14Å; Y53-K56 HydrophobicContact CD1-CD 4.37Å; Y53-K56 PolarHBondContact O-N 2.94Å; K56-D59 PolarHBondContact O-N 2.81Å; K56-M60 WeakPolarHBondContact O-CG 3.43Å; K56-M60 PolarHBondContact O-N 2.91Å |
| 57 | F | 94.4 | Very high | 92.1 | Very high | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.2 | -42.9 | -178.3 | -176.6 | -150.2 | 0 | 0 | 0 | 112.3 | R37 F40 F44 Y53 W54 K55 M60 E61 V73 | R37-F57 HydrophobicContact CB-CZ 4.4Å; R37-F57 HydrophobicContact CG-CE2 4Å; R37-F57 HydrophobicContact CG-CZ 3.92Å; F40-F57 HydrophobicContact CB-CB 4.41Å; F40-F57 HydrophobicContact CB-CD1 3.81Å; F40-F57 HydrophobicContact CB-CD2 4.1Å; F40-F57 HydrophobicContact CB-CE1 3.99Å; F40-F57 HydrophobicContact CB-CE2 4.29Å; F40-F57 HydrophobicContact CB-CG 3.86Å; F40-F57 HydrophobicContact CB-CZ 4.24Å; F40-F57 HydrophobicContact CD1-CB 3.83Å; F40-F57 HydrophobicContact CD1-CG 4.22Å; F40-F57 HydrophobicContact CD2-CB 3.84Å; F40-F57 HydrophobicContact CD2-CD1 4.48Å; F40-F57 AromaticContact CD2-CD2 3.4Å; F40-F57 HydrophobicContact CD2-CD2 3.4Å; F40-F57 VanDerWaalsContact CD2-CD2 3.4Å; F40-F57 HydrophobicContact CD2-CE2 4.06Å; F40-F57 AromaticContact CD2-CG 3.67Å; F40-F57 HydrophobicContact CD2-CG 3.67Å; F40-F57 HydrophobicContact CE1-CB 3.96Å; F40-F57 HydrophobicContact CE2-CB 4Å; F40-F57 AromaticContact CE2-CD2 3.99Å; F40-F57 HydrophobicContact CE2-CD2 3.99Å; F40-F57 HydrophobicContact CE2-CG 4.25Å; F40-F57 HydrophobicContact CG-CB 3.78Å; F40-F57 HydrophobicContact CG-CD1 4.11Å; F40-F57 AromaticContact CG-CD2 3.87Å; F40-F57 HydrophobicContact CG-CD2 3.87Å; F40-F57 HydrophobicContact CG-CE2 4.49Å; F40-F57 AromaticContact CG-CG 3.66Å; F40-F57 HydrophobicContact CG-CG 3.66Å; F40-F57 HydrophobicContact CZ-CB 4.06Å; F44-F57 AromaticContact CE2-CD1 3.86Å; F44-F57 HydrophobicContact CE2-CD1 3.86Å; Y53-F57 WeakPolarHBondContact O-CB 3.38Å; Y53-F57 PolarHBondContact O-N 3.01Å; W54-F57 PolarHBondContact O-N 3.5Å; K55-F57 VanDerWaalsContact C-N 3.29Å; K55-F57 PolarHBondContact O-N 3.06Å; F57-M60 PolarHBondContact O-N 3.29Å; F57-E61 HydrophobicContact CE2-CG 4.34Å; F57-E61 PolarHBondContact O-N 2.72Å; F57-E61 VanDerWaalsContact O-N 3.09Å; F57-V73 HydrophobicContact CB-CG1 4.11Å; F57-V73 HydrophobicContact CD1-CB 4.27Å; F57-V73 HydrophobicContact CD1-CG1 3.43Å; F57-V73 VanDerWaalsContact CD1-CG1 3.43Å; F57-V73 HydrophobicContact CD1-CG2 3.73Å; F57-V73 HydrophobicContact CE1-CG1 4.1Å; F57-V73 HydrophobicContact CE1-CG2 3.55Å; F57-V73 HydrophobicContact CG-CG1 3.96Å; F57-V73 HydrophobicContact CG-CG2 4.38Å; F57-V73 HydrophobicContact CZ-CG2 4.05Å |
| 58 | A | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63 | -42.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | W54 K55 M60 E61 R62 C70 V73 Y74 | W54-A58 WeakPolarHBondContact O-CB 3.34Å; W54-A58 PolarHBondContact O-N 3.25Å; W54-A58 VanDerWaalsContact O-N 3.07Å; K55-A58 PolarHBondContact O-N 3.39Å; K55-A58 VanDerWaalsContact O-N 3.16Å; A58-M60 PolarHBondContact O-N 3.49Å; A58-E61 PolarHBondContact O-N 2.94Å; A58-R62 WeakPolarHBondContact O-CB 3.49Å; A58-R62 PolarHBondContact O-N 3.48Å; A58-C70 PolarHBondContact O-SG 3.39Å; A58-V73 HydrophobicContact CB-CB 4.29Å; A58-V73 HydrophobicContact CB-CG1 3.9Å; A58-Y74 HydrophobicContact CB-CD1 4.19Å; A58-Y74 HydrophobicContact CB-CD2 3.81Å; A58-Y74 HydrophobicContact CB-CE1 3.84Å; A58-Y74 HydrophobicContact CB-CE2 3.46Å; A58-Y74 VanDerWaalsContact CB-CE2 3.46Å; A58-Y74 HydrophobicContact CB-CG 4.16Å; A58-Y74 VanDerWaalsContact CB-CZ 3.45Å |
| 59 | D | 92.2 | Very high | 92.1 | Very high | 50 Ų | 50 | 53.7 Ų | 53.7 | 27% | 0.267 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.7 | -36.9 | 174.3 | -75 | -46.5 | 0 | 0 | 0 | 112.2 | K55 K56 R62 H63 | K55-D59 PolarHBondContact O-N 3.3Å; K56-D59 PolarHBondContact O-N 2.81Å; D59-R62 PolarHBondContact O-N 3.05Å; D59-R62 IonicContact OD1-NH1 3Å; D59-H63 WeakPolarHBondContact O-CB 3.39Å; D59-H63 PolarHBondContact O-CD2 3.39Å; D59-H63 VanDerWaalsContact O-CG 3.28Å; D59-H63 PolarHBondContact O-N 3.4Å |
| 60 | M | 90.8 | Very high | 92.1 | Very high | 17 Ų | 17 | 53.4 Ų | 53.4 | 8% | 0.084 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -42.2 | 173.1 | -76.6 | -172.6 | 71.7 | 0 | 0 | 113 | V27 E28 I33 A36 F40 K56 F57 A58 K64 | V27-M60 HydrophobicContact CG1-CE 4.05Å; V27-M60 HydrophobicContact CG1-SD 4.42Å; E28-M60 HydrophobicContact CB-SD 4.26Å; E28-M60 HydrophobicContact CG-SD 4.43Å; I33-M60 HydrophobicContact CD1-CB 4.3Å; A36-M60 HydrophobicContact CB-CE 3.75Å; A36-M60 HydrophobicContact CB-SD 4.34Å; F40-M60 HydrophobicContact CE2-SD 3.84Å; F40-M60 HydrophobicContact CZ-SD 4.39Å; K56-M60 WeakPolarHBondContact O-CG 3.43Å; K56-M60 PolarHBondContact O-N 2.91Å; F57-M60 PolarHBondContact O-N 3.29Å; A58-M60 PolarHBondContact O-N 3.49Å; M60-K64 PolarHBondContact O-N 3.03Å |
| 61 | E | 92.8 | Very high | 92.2 | Very high | 2 Ų | 2 | 53.4 Ų | 53.4 | 1% | 0.009 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 173.2 | -75 | -75.5 | -157.6 | 0 | 0 | 111.6 | I33 R37 F57 A58 H63 K64 G65 N66 R69 C70 | I33-E61 HydrophobicContact CD1-CG 4.06Å; I33-E61 WeakPolarHBondContact CG1-OE2 3.41Å; R37-E61 IonicContact CZ-OE1 3.49Å; R37-E61 IonicContact CZ-OE2 3.17Å; R37-E61 IonicContact NE-OE1 3.8Å; R37-E61 PolarHBondContact NE-OE1 3.41Å; R37-E61 VanDerWaalsContact NH2-CD 3.29Å; R37-E61 IonicContact NH2-OE1 2.75Å; R37-E61 PolarHBondContact NH2-OE1 3.29Å; R37-E61 IonicContact NH2-OE2 3.72Å; R37-E61 PolarHBondContact NH2-OE2 3.26Å; F57-E61 HydrophobicContact CE2-CG 4.34Å; F57-E61 PolarHBondContact O-N 2.72Å; F57-E61 VanDerWaalsContact O-N 3.09Å; A58-E61 PolarHBondContact O-N 2.94Å; E61-H63 PolarHBondContact O-N 3.47Å; E61-K64 PolarHBondContact O-N 3.08Å; E61-K64 VanDerWaalsContact O-N 3.14Å; E61-G65 PolarHBondContact O-N 3.2Å; E61-N66 HydrophobicContact CB-CB 4.34Å; E61-N66 PolarHBondContact O-N 2.96Å; E61-N66 WeakPolarHBondContact OE2-CB 3.26Å; E61-N66 PolarHBondContact OE2-ND2 3.32Å; E61-R69 HydrophobicContact CB-CB 4.38Å; E61-R69 HydrophobicContact CG-CB 4.15Å; E61-R69 WeakPolarHBondContact OE1-CD 3.43Å; E61-C70 HydrophobicContact CB-CB 4.41Å |
| 62 | R | 91.7 | Very high | 92.3 | Very high | 106 Ų | 106 | 54.2 Ų | 54.2 | 40% | 0.4 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.3 | -43.8 | 175.7 | -169.7 | 178.6 | 177.7 | -154.6 | 5.4 | 111.7 | A58 D59 K64 G65 C70 E97 | A58-R62 WeakPolarHBondContact O-CB 3.49Å; A58-R62 PolarHBondContact O-N 3.48Å; D59-R62 PolarHBondContact O-N 3.05Å; D59-R62 IonicContact OD1-NH1 3Å; R62-K64 VanDerWaalsContact C-N 3.26Å; R62-K64 PolarHBondContact O-N 3.44Å; R62-G65 WeakPolarHBondContact O-CA 3.16Å; R62-G65 PolarHBondContact O-N 3.15Å; R62-C70 HydrophobicContact CB-CB 4.22Å; R62-E97 IonicContact CZ-OE2 2.75Å; R62-E97 IonicContact NE-OE2 3.33Å; R62-E97 PolarHBondContact NE-OE2 3.37Å; R62-E97 VanDerWaalsContact NE-OE2 3.09Å; R62-E97 IonicContact NH2-OE2 2.85Å; R62-E97 PolarHBondContact NH2-OE2 3.09Å |
| 63 | H | 89.2 | Confident | 92.3 | Very high | 149 Ų | 149 | 52.8 Ų | 52.8 | 69% | 0.69 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -66.2 | -22.2 | 175.6 | -74.1 | -45.9 | 0 | 0 | 0 | 114 | D59 E61 G65 | D59-H63 WeakPolarHBondContact O-CB 3.39Å; D59-H63 PolarHBondContact O-CD2 3.39Å; D59-H63 VanDerWaalsContact O-CG 3.28Å; D59-H63 PolarHBondContact O-N 3.4Å; E61-H63 PolarHBondContact O-N 3.47Å; H63-G65 VanDerWaalsContact C-N 3.33Å |
| 64 | K | 89 | Confident | 92.4 | Very high | 89 Ų | 89 | 51.1 Ų | 51.1 | 39% | 0.387 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | 0.4 | 169.4 | -62.3 | -53.3 | -173.9 | -173.5 | 0 | 113.7 | Q31 I33 M60 E61 R62 | Q31-K64 WeakPolarHBondContact O-CE 3.33Å; Q31-K64 PolarHBondContact O-NZ 2.9Å; I33-K64 HydrophobicContact CB-CG 4.21Å; I33-K64 HydrophobicContact CD1-CG 4.2Å; I33-K64 HydrophobicContact CG1-CG 4.27Å; M60-K64 PolarHBondContact O-N 3.03Å; E61-K64 PolarHBondContact O-N 3.08Å; E61-K64 VanDerWaalsContact O-N 3.14Å; R62-K64 VanDerWaalsContact C-N 3.26Å; R62-K64 PolarHBondContact O-N 3.44Å |
| 65 | G | 87 | Confident | 92.4 | Very high | 52 Ų | 52 | 54.2 Ų | 54.2 | 54% | 0.536 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | 0.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | E61 R62 H63 K67 | E61-G65 PolarHBondContact O-N 3.2Å; R62-G65 WeakPolarHBondContact O-CA 3.16Å; R62-G65 PolarHBondContact O-N 3.15Å; H63-G65 VanDerWaalsContact C-N 3.33Å; G65-K67 PolarHBondContact O-N 2.89Å |
| 66 | N | 89.7 | Confident | 92.4 | Very high | 61 Ų | 61 | 56.1 Ų | 56.1 | 33% | 0.326 | 27% | 0.268 | S | S | . | . | trans | -81.4 | 59.8 | -175.7 | -60.6 | -32.2 | 0 | 0 | 0 | 111.2 | R37 E61 E68 R69 C70 | R37-N66 PolarHBondContact NH2-ND2 3.28Å; E61-N66 HydrophobicContact CB-CB 4.34Å; E61-N66 PolarHBondContact O-N 2.96Å; E61-N66 WeakPolarHBondContact OE2-CB 3.26Å; E61-N66 PolarHBondContact OE2-ND2 3.32Å; N66-E68 PolarHBondContact O-N 3.42Å; N66-R69 HydrophobicContact CB-CB 4.15Å; N66-R69 PolarHBondContact O-N 3.07Å; N66-C70 PolarHBondContact O-N 2.85Å | ||
| 67 | K | 89.3 | Confident | 92.4 | Very high | 91 Ų | 91 | 53.2 Ų | 53.2 | 40% | 0.396 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.6 | -37.1 | -173.7 | -59.1 | -164.1 | -172.7 | -169.1 | 0 | 113.4 | G65 C70 L71 E97 Y98 | G65-K67 PolarHBondContact O-N 2.89Å; K67-C70 WeakPolarHBondContact O-CB 3.36Å; K67-C70 PolarHBondContact O-N 3.05Å; K67-L71 PolarHBondContact O-N 3.38Å; K67-L71 VanDerWaalsContact O-N 3.1Å; K67-E97 VanDerWaalsContact CE-OE1 3.29Å; K67-E97 WeakPolarHBondContact CE-OE1 3.49Å; K67-E97 IonicContact NZ-OE1 3.28Å; K67-E97 PolarHBondContact NZ-OE1 2.92Å; K67-Y98 HydrophobicContact CB-CD2 3.84Å; K67-Y98 HydrophobicContact CB-CE2 4.32Å |
| 68 | E | 92.1 | Very high | 92.4 | Very high | 116 Ų | 116 | 53.4 Ų | 53.4 | 54% | 0.542 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -63 | -43.1 | 175.8 | -166.2 | -166.3 | 147 | 0 | 0 | 112 | N66 L71 Q72 Y98 | N66-E68 PolarHBondContact O-N 3.42Å; E68-L71 PolarHBondContact O-N 2.89Å; E68-Q72 WeakPolarHBondContact O-CG 3.37Å; E68-Q72 PolarHBondContact O-N 2.74Å; E68-Q72 PolarHBondContact OE1-NE2 2.82Å; E68-Y98 HydrophobicContact CB-CE2 4.4Å |
| 69 | R | 91.5 | Very high | 92.4 | Very high | 117 Ų | 117 | 60.3 Ų | 60.3 | 44% | 0.442 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69 | -33.3 | 174.5 | -76.1 | -166.7 | 170.3 | 148.9 | 1.6 | 112.8 | R37 E61 N66 L71 Q72 V73 | R37-R69 VanDerWaalsContact NH2-NH1 3.15Å; E61-R69 HydrophobicContact CB-CB 4.38Å; E61-R69 HydrophobicContact CG-CB 4.15Å; E61-R69 WeakPolarHBondContact OE1-CD 3.43Å; N66-R69 HydrophobicContact CB-CB 4.15Å; N66-R69 PolarHBondContact O-N 3.07Å; R69-L71 VanDerWaalsContact C-N 3.31Å; R69-L71 PolarHBondContact O-N 3.42Å; R69-Q72 PolarHBondContact O-N 2.83Å; R69-V73 WeakPolarHBondContact O-CB 3.3Å; R69-V73 VanDerWaalsContact O-CG2 3.28Å; R69-V73 WeakPolarHBondContact O-CG2 3.35Å; R69-V73 PolarHBondContact O-N 3.22Å |
| 70 | C | 93.6 | Very high | 92.4 | Very high | 3 Ų | 3 | 60.3 Ų | 60.3 | 2% | 0.02 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.8 | -45.7 | 170.6 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | A58 E61 R62 N66 K67 V73 Y74 | A58-C70 PolarHBondContact O-SG 3.39Å; E61-C70 HydrophobicContact CB-CB 4.41Å; R62-C70 HydrophobicContact CB-CB 4.22Å; N66-C70 PolarHBondContact O-N 2.85Å; K67-C70 WeakPolarHBondContact O-CB 3.36Å; K67-C70 PolarHBondContact O-N 3.05Å; C70-V73 PolarHBondContact O-N 3.05Å; C70-Y74 VanDerWaalsContact O-CD2 3.24Å; C70-Y74 WeakPolarHBondContact O-CD2 3.25Å; C70-Y74 PolarHBondContact O-N 2.83Å; C70-Y74 VanDerWaalsContact SG-CE2 3.54Å |
| 71 | L | 93.9 | Very high | 92.5 | Very high | 12 Ų | 12 | 59.7 Ų | 59.7 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -45 | 172.6 | -62.8 | -172.6 | 0 | 0 | 0 | 112.7 | K67 E68 R69 V73 Y74 E75 Y91 A94 A95 Y98 Y99 | K67-L71 PolarHBondContact O-N 3.38Å; K67-L71 VanDerWaalsContact O-N 3.1Å; E68-L71 PolarHBondContact O-N 2.89Å; R69-L71 VanDerWaalsContact C-N 3.31Å; R69-L71 PolarHBondContact O-N 3.42Å; L71-V73 VanDerWaalsContact C-N 3.31Å; L71-V73 PolarHBondContact O-N 2.97Å; L71-Y74 PolarHBondContact O-N 3.42Å; L71-E75 WeakPolarHBondContact O-CB 3.31Å; L71-E75 PolarHBondContact O-N 3.22Å; L71-Y91 HydrophobicContact CB-CE2 4.35Å; L71-Y91 HydrophobicContact CD2-CD2 4.24Å; L71-Y91 HydrophobicContact CD2-CE2 4.05Å; L71-A94 HydrophobicContact CD2-CB 3.85Å; L71-A95 HydrophobicContact CD2-CB 4.25Å; L71-Y98 HydrophobicContact CD1-CD1 3.48Å; L71-Y98 VanDerWaalsContact CD1-CD1 3.48Å; L71-Y98 HydrophobicContact CD1-CD2 4.23Å; L71-Y98 HydrophobicContact CD1-CE1 4.05Å; L71-Y98 HydrophobicContact CD1-CG 3.58Å; L71-Y98 HydrophobicContact CG-CG 4.45Å; L71-Y99 HydrophobicContact CD1-CE2 4.25Å |
| 72 | Q | 94.6 | Very high | 92.5 | Very high | 74 Ų | 74 | 62.4 Ų | 62.4 | 35% | 0.346 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.8 | -38.8 | 178.1 | -68.2 | 165.5 | 6.1 | 0 | 0 | 112.1 | E68 R69 E75 M76 | E68-Q72 WeakPolarHBondContact O-CG 3.37Å; E68-Q72 PolarHBondContact O-N 2.74Å; E68-Q72 PolarHBondContact OE1-NE2 2.82Å; R69-Q72 PolarHBondContact O-N 2.83Å; Q72-E75 PolarHBondContact O-N 3.46Å; Q72-M76 WeakPolarHBondContact O-CB 3.33Å; Q72-M76 VanDerWaalsContact O-CG 3.3Å; Q72-M76 WeakPolarHBondContact O-CG 3.38Å; Q72-M76 PolarHBondContact O-N 3.22Å |
| 73 | V | 95.2 | Very high | 92.4 | Very high | 4 Ų | 4 | 58.5 Ų | 58.5 | 2% | 0.024 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 175.3 | 170.2 | 0 | 0 | 0 | 0 | 111.2 | W54 F57 A58 R69 C70 L71 M76 G77 | W54-V73 HydrophobicContact CE3-CG1 4.05Å; F57-V73 HydrophobicContact CB-CG1 4.11Å; F57-V73 HydrophobicContact CD1-CB 4.27Å; F57-V73 HydrophobicContact CD1-CG1 3.43Å; F57-V73 VanDerWaalsContact CD1-CG1 3.43Å; F57-V73 HydrophobicContact CD1-CG2 3.73Å; F57-V73 HydrophobicContact CE1-CG1 4.1Å; F57-V73 HydrophobicContact CE1-CG2 3.55Å; F57-V73 HydrophobicContact CG-CG1 3.96Å; F57-V73 HydrophobicContact CG-CG2 4.38Å; F57-V73 HydrophobicContact CZ-CG2 4.05Å; A58-V73 HydrophobicContact CB-CB 4.29Å; A58-V73 HydrophobicContact CB-CG1 3.9Å; R69-V73 WeakPolarHBondContact O-CB 3.3Å; R69-V73 VanDerWaalsContact O-CG2 3.28Å; R69-V73 WeakPolarHBondContact O-CG2 3.35Å; R69-V73 PolarHBondContact O-N 3.22Å; C70-V73 PolarHBondContact O-N 3.05Å; L71-V73 VanDerWaalsContact C-N 3.31Å; L71-V73 PolarHBondContact O-N 2.97Å; V73-M76 HydrophobicContact CG2-CE 4.18Å; V73-G77 PolarHBondContact O-N 2.8Å |
| 74 | Y | 95.6 | Very high | 92.6 | Very high | 7 Ų | 7 | 52 Ų | 52 | 3% | 0.027 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.1 | -43.1 | 173 | -79.6 | -56.7 | 0 | 0 | 0 | 112.2 | K55 A58 C70 L71 M76 G77 V78 L87 A90 Y91 A94 | K55-Y74 HydrophobicContact CG-CE1 4.37Å; A58-Y74 HydrophobicContact CB-CD1 4.19Å; A58-Y74 HydrophobicContact CB-CD2 3.81Å; A58-Y74 HydrophobicContact CB-CE1 3.84Å; A58-Y74 HydrophobicContact CB-CE2 3.46Å; A58-Y74 VanDerWaalsContact CB-CE2 3.46Å; A58-Y74 HydrophobicContact CB-CG 4.16Å; A58-Y74 VanDerWaalsContact CB-CZ 3.45Å; C70-Y74 VanDerWaalsContact O-CD2 3.24Å; C70-Y74 WeakPolarHBondContact O-CD2 3.25Å; C70-Y74 PolarHBondContact O-N 2.83Å; C70-Y74 VanDerWaalsContact SG-CE2 3.54Å; L71-Y74 PolarHBondContact O-N 3.42Å; Y74-M76 PolarHBondContact O-N 2.83Å; Y74-G77 PolarHBondContact O-N 3.33Å; Y74-V78 VanDerWaalsContact O-CB 3.27Å; Y74-V78 WeakPolarHBondContact O-CB 3.34Å; Y74-V78 WeakPolarHBondContact O-CG2 3.32Å; Y74-V78 PolarHBondContact O-N 2.7Å; Y74-L87 HydrophobicContact CD1-CD1 3.81Å; Y74-L87 HydrophobicContact CE1-CD1 4.01Å; Y74-A90 HydrophobicContact CE1-CB 3.76Å; Y74-Y91 HydrophobicContact CD2-CD2 4.3Å; Y74-Y91 HydrophobicContact CG-CD2 4.06Å; Y74-Y91 HydrophobicContact CG-CG 4.34Å; Y74-A94 HydrophobicContact CD2-CB 3.91Å; Y74-A94 HydrophobicContact CE2-CB 3.68Å |
| 75 | E | 95.1 | Very high | 92.8 | Very high | 77 Ų | 77 | 49 Ų | 49 | 36% | 0.36 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 178.3 | -165.9 | -164.2 | 151.7 | 0 | 0 | 111.7 | L71 Q72 K79 | L71-E75 WeakPolarHBondContact O-CB 3.31Å; L71-E75 PolarHBondContact O-N 3.22Å; Q72-E75 PolarHBondContact O-N 3.46Å; E75-K79 HydrophobicContact CG-CD 4.35Å; E75-K79 WeakPolarHBondContact O-CB 3.46Å; E75-K79 VanDerWaalsContact O-CG 3.28Å; E75-K79 WeakPolarHBondContact O-CG 3.45Å; E75-K79 PolarHBondContact O-N 2.91Å; E75-K79 WeakPolarHBondContact OE1-CE 3.29Å; E75-K79 IonicContact OE1-NZ 3.66Å; E75-K79 PolarHBondContact OE1-NZ 2.87Å |
| 76 | M | 94.8 | Very high | 93.1 | Very high | 86 Ų | 86 | 49.6 Ų | 49.6 | 42% | 0.424 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 173.2 | -73.2 | -173.2 | -63.6 | 0 | 0 | 111.9 | W54 Q72 V73 Y74 K79 T80 | W54-M76 HydrophobicContact CH2-CB 4.05Å; W54-M76 HydrophobicContact CZ3-CB 3.79Å; Q72-M76 WeakPolarHBondContact O-CB 3.33Å; Q72-M76 VanDerWaalsContact O-CG 3.3Å; Q72-M76 WeakPolarHBondContact O-CG 3.38Å; Q72-M76 PolarHBondContact O-N 3.22Å; V73-M76 HydrophobicContact CG2-CE 4.18Å; Y74-M76 PolarHBondContact O-N 2.83Å; M76-K79 PolarHBondContact O-N 2.72Å; M76-T80 VanDerWaalsContact O-CB 3.31Å; M76-T80 WeakPolarHBondContact O-CB 3.18Å; M76-T80 PolarHBondContact O-N 2.67Å; M76-T80 PolarHBondContact O-OG1 2.88Å |
| 77 | G | 94.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -65.2 | -40.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.6 | W54 V73 Y74 T80 I81 L87 | W54-G77 VanDerWaalsContact CD2-CA 3.41Å; W54-G77 VanDerWaalsContact CE3-CA 3.46Å; V73-G77 PolarHBondContact O-N 2.8Å; Y74-G77 PolarHBondContact O-N 3.33Å; G77-T80 CarbonylContact O-C 3.52Å; G77-T80 WeakPolarHBondContact O-CB 3.45Å; G77-T80 PolarHBondContact O-N 2.94Å; G77-I81 PolarHBondContact O-N 3.02Å; G77-L87 WeakPolarHBondContact O-CD2 3.33Å |
| 78 | V | 94.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 42.7 Ų | 42.7 | 6% | 0.055 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.3 | -45.1 | 175.2 | 159.7 | 0 | 0 | 0 | 0 | 111.4 | Y74 T80 I81 P82 L87 W88 Y91 | Y74-V78 VanDerWaalsContact O-CB 3.27Å; Y74-V78 WeakPolarHBondContact O-CB 3.34Å; Y74-V78 WeakPolarHBondContact O-CG2 3.32Å; Y74-V78 PolarHBondContact O-N 2.7Å; V78-T80 PolarHBondContact O-N 3.34Å; V78-I81 CarbonylContact O-C 3.2Å; V78-I81 PolarHBondContact O-N 3.06Å; V78-P82 WeakPolarHBondContact O-CA 3.29Å; V78-P82 VanDerWaalsContact O-N 3.07Å; V78-L87 HydrophobicContact CG2-CD2 4.29Å; V78-L87 HydrophobicContact CG2-CG 4.07Å; V78-W88 HydrophobicContact CG1-CD2 3.88Å; V78-W88 HydrophobicContact CG1-CE3 4.2Å; V78-W88 HydrophobicContact CG1-CH2 3.58Å; V78-W88 HydrophobicContact CG1-CZ2 3.16Å; V78-W88 HydrophobicContact CG1-CZ3 4.06Å; V78-W88 HydrophobicContact CG2-CD2 4.07Å; V78-W88 HydrophobicContact CG2-CE3 4.43Å; V78-W88 HydrophobicContact CG2-CG 4.27Å; V78-Y91 HydrophobicContact CG2-CD1 4.04Å |
| 79 | K | 93.5 | Very high | 93.8 | Very high | 144 Ų | 144 | 38.3 Ų | 38.3 | 63% | 0.626 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -60.3 | -30.1 | 172.6 | -76.8 | 168.6 | 171.3 | 174.7 | 0 | 112.6 | E75 M76 | E75-K79 HydrophobicContact CG-CD 4.35Å; E75-K79 WeakPolarHBondContact O-CB 3.46Å; E75-K79 VanDerWaalsContact O-CG 3.28Å; E75-K79 WeakPolarHBondContact O-CG 3.45Å; E75-K79 PolarHBondContact O-N 2.91Å; E75-K79 WeakPolarHBondContact OE1-CE 3.29Å; E75-K79 IonicContact OE1-NZ 3.66Å; E75-K79 PolarHBondContact OE1-NZ 2.87Å; M76-K79 PolarHBondContact O-N 2.72Å |
| 80 | T | 92.8 | Very high | 93.9 | Very high | 51 Ų | 51 | 33.4 Ų | 33.4 | 31% | 0.313 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -83.1 | -31.7 | 179.1 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | P48 W54 M76 G77 V78 | P48-T80 HydrophobicContact CB-CG2 3.38Å; W54-T80 HydrophobicContact CZ2-CG2 4.08Å; M76-T80 VanDerWaalsContact O-CB 3.31Å; M76-T80 WeakPolarHBondContact O-CB 3.18Å; M76-T80 PolarHBondContact O-N 2.67Å; M76-T80 PolarHBondContact O-OG1 2.88Å; G77-T80 CarbonylContact O-C 3.52Å; G77-T80 WeakPolarHBondContact O-CB 3.45Å; G77-T80 PolarHBondContact O-N 2.94Å; V78-T80 PolarHBondContact O-N 3.34Å |
| 81 | I | 92.5 | Very high | 94 | Very high | 4 Ų | 4 | 34 Ų | 34 | 2% | 0.021 | 18% | 0.176 | C | C | . | . | trans | -132.8 | 71.2 | 178.6 | -35.4 | 171.6 | 0 | 0 | 0 | 110.4 | P48 Y49 G77 V78 L83 S84 L87 V342 | P48-I81 WeakPolarHBondContact O-CD1 3.21Å; Y49-I81 HydrophobicContact CD1-CG1 4.24Å; G77-I81 PolarHBondContact O-N 3.02Å; V78-I81 CarbonylContact O-C 3.2Å; V78-I81 PolarHBondContact O-N 3.06Å; I81-L83 PolarHBondContact O-N 2.73Å; I81-S84 PolarHBondContact O-N 3.09Å; I81-S84 VanDerWaalsContact O-N 3.15Å; I81-L87 HydrophobicContact CD1-CD2 4.42Å; I81-V342 HydrophobicContact CG2-CG2 4.17Å | ||
| 82 | P | 92 | Very high | 94 | Very high | 59 Ų | 59 | 33.4 Ų | 33.4 | 38% | 0.383 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.4 | -171.2 | -27.2 | 36.6 | 0 | 0 | 0 | 115.3 | V78 W88 S119 V120 | V78-P82 WeakPolarHBondContact O-CA 3.29Å; V78-P82 VanDerWaalsContact O-N 3.07Å; P82-W88 PolarHBondContact O-NE1 3.33Å; P82-S119 WeakPolarHBondContact O-CB 3.35Å; P82-V120 WeakPolarHBondContact O-CG2 3.2Å |
| 83 | L | 91.5 | Very high | 94 | Very high | 24 Ų | 24 | 34 Ų | 34 | 13% | 0.126 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 1.1 | -175.6 | -72.5 | 161.6 | 0 | 0 | 0 | 115 | I81 V85 S119 V335 E338 R339 | I81-L83 PolarHBondContact O-N 2.73Å; L83-V85 PolarHBondContact O-N 3.3Å; L83-S119 WeakPolarHBondContact CD2-O 3.3Å; L83-V335 HydrophobicContact CD2-CG1 3.97Å; L83-E338 HydrophobicContact CD1-CB 3.38Å; L83-R339 HydrophobicContact CD1-CG 3.94Å; L83-R339 HydrophobicContact CD2-CG 4.36Å |
| 84 | S | 93.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 34.2 Ų | 34.2 | 9% | 0.091 | 18% | 0.181 | C | C | . | . | trans | -78.7 | 94.1 | -179.6 | -174.6 | 0 | 0 | 0 | 0 | 111 | I81 D86 L87 W88 | I81-S84 PolarHBondContact O-N 3.09Å; I81-S84 VanDerWaalsContact O-N 3.15Å; S84-D86 PolarHBondContact O-N 3.25Å; S84-L87 PolarHBondContact O-N 3.44Å; S84-L87 WeakPolarHBondContact OG-CB 3.34Å; S84-L87 PolarHBondContact OG-N 3.42Å; S84-W88 PolarHBondContact O-N 3.27Å; S84-W88 VanDerWaalsContact O-N 3.07Å | ||
| 85 | V | 92.9 | Very high | 93.7 | Very high | 24 Ų | 24 | 33.9 Ų | 33.9 | 15% | 0.145 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -44.3 | -50 | 171.7 | -176.2 | 0 | 0 | 0 | 0 | 110.3 | L83 L87 W88 T89 V120 E123 L129 | L83-V85 PolarHBondContact O-N 3.3Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 PolarHBondContact O-N 3.47Å; V85-W88 PolarHBondContact O-N 3.47Å; V85-T89 PolarHBondContact O-N 2.95Å; V85-T89 PolarHBondContact O-OG1 3.11Å; V85-V120 HydrophobicContact CB-CG1 4.28Å; V85-V120 HydrophobicContact CG2-CG1 3.44Å; V85-V120 VanDerWaalsContact CG2-CG1 3.44Å; V85-E123 HydrophobicContact CG2-CG 4.45Å; V85-L129 HydrophobicContact CG1-CB 4.3Å |
| 86 | D | 93.3 | Very high | 93.6 | Very high | 66 Ų | 66 | 32 Ų | 32 | 35% | 0.353 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -49.8 | -45.7 | 176.1 | -113.7 | -55.9 | 0 | 0 | 0 | 113.7 | Y51 K55 S84 T89 A90 | Y51-D86 HydrophobicContact CD2-CB 3.71Å; Y51-D86 HydrophobicContact CE2-CB 3.37Å; Y51-D86 WeakPolarHBondContact CE2-OD2 3.28Å; Y51-D86 PolarHBondContact OH-OD2 2.75Å; K55-D86 VanDerWaalsContact CE-C 3.49Å; K55-D86 WeakPolarHBondContact CE-O 3.36Å; K55-D86 PolarHBondContact NZ-O 3.41Å; K55-D86 IonicContact NZ-OD1 3.73Å; K55-D86 PolarHBondContact NZ-OD1 3.15Å; S84-D86 PolarHBondContact O-N 3.25Å; D86-T89 PolarHBondContact O-OG1 2.96Å; D86-T89 VanDerWaalsContact O-OG1 3.12Å; D86-A90 PolarHBondContact O-N 3.1Å |
| 87 | L | 94.4 | Very high | 93.3 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -79.6 | -34.8 | -174.5 | -166.6 | 61.2 | 0 | 0 | 0 | 111.4 | W54 K55 Y74 G77 V78 I81 S84 V85 Y91 | W54-L87 HydrophobicContact CB-CD1 3.8Å; W54-L87 HydrophobicContact CB-CD2 4.28Å; W54-L87 HydrophobicContact CG-CD2 4.49Å; K55-L87 HydrophobicContact CG-CD1 4.08Å; Y74-L87 HydrophobicContact CD1-CD1 3.81Å; Y74-L87 HydrophobicContact CE1-CD1 4.01Å; G77-L87 WeakPolarHBondContact O-CD2 3.33Å; V78-L87 HydrophobicContact CG2-CD2 4.29Å; V78-L87 HydrophobicContact CG2-CG 4.07Å; I81-L87 HydrophobicContact CD1-CD2 4.42Å; S84-L87 PolarHBondContact O-N 3.44Å; S84-L87 WeakPolarHBondContact OG-CB 3.34Å; S84-L87 PolarHBondContact OG-N 3.42Å; V85-L87 VanDerWaalsContact C-N 3.32Å; V85-L87 PolarHBondContact O-N 3.47Å; L87-Y91 WeakPolarHBondContact O-CB 3.39Å; L87-Y91 PolarHBondContact O-N 2.93Å |
| 88 | W | 95.6 | Very high | 93 | Very high | 7 Ų | 7 | 34.3 Ų | 34.3 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -66.7 | -42.8 | 173.9 | -82.8 | 101.3 | 0 | 0 | 0 | 112.9 | V78 P82 S84 V85 Y91 L92 L112 A116 S119 V120 L129 | V78-W88 HydrophobicContact CG1-CD2 3.88Å; V78-W88 HydrophobicContact CG1-CE3 4.2Å; V78-W88 HydrophobicContact CG1-CH2 3.58Å; V78-W88 HydrophobicContact CG1-CZ2 3.16Å; V78-W88 HydrophobicContact CG1-CZ3 4.06Å; V78-W88 HydrophobicContact CG2-CD2 4.07Å; V78-W88 HydrophobicContact CG2-CE3 4.43Å; V78-W88 HydrophobicContact CG2-CG 4.27Å; P82-W88 PolarHBondContact O-NE1 3.33Å; S84-W88 PolarHBondContact O-N 3.27Å; S84-W88 VanDerWaalsContact O-N 3.07Å; V85-W88 PolarHBondContact O-N 3.47Å; W88-Y91 HydrophobicContact CE3-CD1 4.08Å; W88-Y91 HydrophobicContact CZ3-CD1 4.2Å; W88-Y91 HydrophobicContact CZ3-CE1 4.39Å; W88-Y91 PolarHBondContact O-N 3.49Å; W88-L92 WeakPolarHBondContact O-CB 3.3Å; W88-L92 WeakPolarHBondContact O-CD1 3.37Å; W88-L92 VanDerWaalsContact O-CG 3.26Å; W88-L92 WeakPolarHBondContact O-CG 3.28Å; W88-L92 PolarHBondContact O-N 3.26Å; W88-L112 HydrophobicContact CZ3-CD1 4.43Å; W88-A116 HydrophobicContact CD2-CB 3.69Å; W88-A116 HydrophobicContact CE3-CB 3.3Å; W88-A116 HydrophobicContact CG-CB 4.31Å; W88-A116 HydrophobicContact CH2-CB 4.18Å; W88-A116 HydrophobicContact CZ3-CB 3.58Å; W88-S119 WeakPolarHBondContact CZ2-OG 3.47Å; W88-V120 HydrophobicContact CG-CG2 3.92Å; W88-V120 VanDerWaalsContact NE1-CG2 3.31Å; W88-L129 HydrophobicContact CB-CD1 4.43Å |
| 89 | T | 94.5 | Very high | 92.8 | Very high | 24 Ų | 24 | 36.5 Ų | 36.5 | 15% | 0.147 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.8 | -45.5 | 177 | 51.8 | 0 | 0 | 0 | 0 | 111.5 | V85 D86 Y91 L92 D93 L129 | V85-T89 PolarHBondContact O-N 2.95Å; V85-T89 PolarHBondContact O-OG1 3.11Å; D86-T89 PolarHBondContact O-OG1 2.96Å; D86-T89 VanDerWaalsContact O-OG1 3.12Å; T89-Y91 VanDerWaalsContact C-N 3.31Å; T89-Y91 PolarHBondContact O-N 3.07Å; T89-L92 PolarHBondContact O-N 3.49Å; T89-L92 VanDerWaalsContact O-N 3.15Å; T89-D93 PolarHBondContact O-N 2.94Å; T89-L129 HydrophobicContact CG2-CD1 4.49Å |
| 90 | A | 94.2 | Very high | 92.4 | Very high | 13 Ų | 13 | 36.1 Ų | 36.1 | 11% | 0.107 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.5 | -35.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K55 Y74 D86 A94 | K55-A90 HydrophobicContact CD-CB 4.3Å; K55-A90 HydrophobicContact CG-CB 4.42Å; Y74-A90 HydrophobicContact CE1-CB 3.76Å; D86-A90 PolarHBondContact O-N 3.1Å; A90-A94 WeakPolarHBondContact O-CB 3.39Å; A90-A94 PolarHBondContact O-N 3.05Å; A90-A94 VanDerWaalsContact O-N 3.11Å |
| 91 | Y | 95.3 | Very high | 91.9 | Very high | 16 Ų | 16 | 39.3 Ų | 39.3 | 6% | 0.063 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.4 | -42.6 | 173 | -178 | -151.5 | 0 | 0 | 0 | 111.9 | L71 Y74 V78 L87 W88 T89 A94 A95 L112 | L71-Y91 HydrophobicContact CB-CE2 4.35Å; L71-Y91 HydrophobicContact CD2-CD2 4.24Å; L71-Y91 HydrophobicContact CD2-CE2 4.05Å; Y74-Y91 HydrophobicContact CD2-CD2 4.3Å; Y74-Y91 HydrophobicContact CG-CD2 4.06Å; Y74-Y91 HydrophobicContact CG-CG 4.34Å; V78-Y91 HydrophobicContact CG2-CD1 4.04Å; L87-Y91 WeakPolarHBondContact O-CB 3.39Å; L87-Y91 PolarHBondContact O-N 2.93Å; W88-Y91 HydrophobicContact CE3-CD1 4.08Å; W88-Y91 HydrophobicContact CZ3-CD1 4.2Å; W88-Y91 HydrophobicContact CZ3-CE1 4.39Å; W88-Y91 PolarHBondContact O-N 3.49Å; T89-Y91 VanDerWaalsContact C-N 3.31Å; T89-Y91 PolarHBondContact O-N 3.07Å; Y91-A94 PolarHBondContact O-N 2.93Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 3.05Å; Y91-L112 HydrophobicContact CD1-CD1 4.46Å; Y91-L112 HydrophobicContact CE1-CD1 3.67Å; Y91-L112 HydrophobicContact CE1-CD2 4.25Å; Y91-L112 HydrophobicContact CE1-CG 4.33Å |
| 92 | L | 94.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -67.2 | -35.7 | 178.2 | -71.2 | 160.7 | 0 | 0 | 0 | 112.1 | W88 T89 T96 M109 L112 Y113 A116 L129 | W88-L92 WeakPolarHBondContact O-CB 3.3Å; W88-L92 WeakPolarHBondContact O-CD1 3.37Å; W88-L92 VanDerWaalsContact O-CG 3.26Å; W88-L92 WeakPolarHBondContact O-CG 3.28Å; W88-L92 PolarHBondContact O-N 3.26Å; T89-L92 PolarHBondContact O-N 3.49Å; T89-L92 VanDerWaalsContact O-N 3.15Å; L92-T96 VanDerWaalsContact O-CB 3.29Å; L92-T96 WeakPolarHBondContact O-CB 3.39Å; L92-T96 PolarHBondContact O-N 3.35Å; L92-T96 PolarHBondContact O-OG1 2.97Å; L92-M109 HydrophobicContact CD2-CE 4.15Å; L92-L112 HydrophobicContact CD2-CB 4.17Å; L92-L112 HydrophobicContact CD2-CD2 3.97Å; L92-L112 HydrophobicContact CD2-CG 3.85Å; L92-Y113 HydrophobicContact CB-CE1 4.41Å; L92-Y113 HydrophobicContact CD1-CD1 3.79Å; L92-Y113 HydrophobicContact CD1-CE1 3.73Å; L92-Y113 HydrophobicContact CD2-CD1 3.79Å; L92-Y113 HydrophobicContact CD2-CD2 4.43Å; L92-Y113 HydrophobicContact CD2-CE1 3.84Å; L92-Y113 HydrophobicContact CD2-CE2 4.44Å; L92-Y113 HydrophobicContact CD2-CG 4.1Å; L92-Y113 HydrophobicContact CG-CD1 4.4Å; L92-Y113 HydrophobicContact CG-CE1 4.21Å; L92-A116 HydrophobicContact CD1-CB 4.28Å; L92-L129 HydrophobicContact CD1-CD1 3.37Å |
| 93 | D | 93.9 | Very high | 91 | Very high | 85 Ų | 85 | 47.8 Ų | 47.8 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62 | -49.2 | 170.4 | -72.1 | -34.6 | 0 | 0 | 0 | 111.6 | T89 T96 E97 H132 | T89-D93 PolarHBondContact O-N 2.94Å; D93-T96 WeakPolarHBondContact O-CB 3.48Å; D93-T96 PolarHBondContact O-N 2.83Å; D93-E97 PolarHBondContact O-N 3.37Å; D93-H132 IonicContact OD1-CD2 2.68Å; D93-H132 IonicContact OD1-CE1 3.17Å; D93-H132 IonicContact OD1-NE2 3.74Å; D93-H132 PolarHBondContact OD1-NE2 2.68Å |
| 94 | A | 92.5 | Very high | 90.7 | Very high | 9 Ų | 9 | 51 Ų | 51 | 7% | 0.074 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -65.6 | -39.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L71 Y74 A90 Y91 E97 Y98 | L71-A94 HydrophobicContact CD2-CB 3.85Å; Y74-A94 HydrophobicContact CD2-CB 3.91Å; Y74-A94 HydrophobicContact CE2-CB 3.68Å; A90-A94 WeakPolarHBondContact O-CB 3.39Å; A90-A94 PolarHBondContact O-N 3.05Å; A90-A94 VanDerWaalsContact O-N 3.11Å; Y91-A94 PolarHBondContact O-N 2.93Å; A94-E97 PolarHBondContact O-N 3.32Å; A94-Y98 WeakPolarHBondContact O-CB 3.29Å; A94-Y98 PolarHBondContact O-N 2.67Å |
| 95 | A | 93.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.4 | -39.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L71 Y91 Y98 Y99 M109 L112 | L71-A95 HydrophobicContact CD2-CB 4.25Å; Y91-A95 WeakPolarHBondContact O-CB 3.44Å; Y91-A95 PolarHBondContact O-N 3.05Å; A95-Y98 PolarHBondContact O-N 2.91Å; A95-Y99 HydrophobicContact CB-CD2 3.98Å; A95-Y99 HydrophobicContact CB-CE2 4.07Å; A95-Y99 WeakPolarHBondContact O-CB 3.2Å; A95-Y99 VanDerWaalsContact O-CD2 3.26Å; A95-Y99 WeakPolarHBondContact O-CD2 3.19Å; A95-Y99 PolarHBondContact O-N 2.9Å; A95-M109 HydrophobicContact CB-CE 4.46Å; A95-M109 HydrophobicContact CB-SD 3.98Å; A95-L112 HydrophobicContact CB-CD2 3.49Å; A95-L112 VanDerWaalsContact CB-CD2 3.49Å |
| 96 | T | 91.7 | Very high | 90.2 | Very high | 37 Ų | 37 | 53.3 Ų | 53.3 | 23% | 0.227 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -48.3 | 172.5 | -61.7 | 0 | 0 | 0 | 0 | 110.6 | L92 D93 Y98 H100 M109 | L92-T96 VanDerWaalsContact O-CB 3.29Å; L92-T96 WeakPolarHBondContact O-CB 3.39Å; L92-T96 PolarHBondContact O-N 3.35Å; L92-T96 PolarHBondContact O-OG1 2.97Å; D93-T96 WeakPolarHBondContact O-CB 3.48Å; D93-T96 PolarHBondContact O-N 2.83Å; T96-Y98 VanDerWaalsContact C-N 3.3Å; T96-Y98 PolarHBondContact O-N 3.19Å; T96-H100 WeakPolarHBondContact O-CB 3.19Å; T96-H100 PolarHBondContact O-N 3.38Å; T96-M109 VanDerWaalsContact OG1-CE 3.24Å; T96-M109 WeakPolarHBondContact OG1-CE 3.41Å |
| 97 | E | 89.2 | Confident | 90 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 35% | 0.35 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62.5 | -33.8 | 178.8 | -158.4 | -155.1 | 129.7 | 0 | 0 | 113.2 | R62 K67 D93 A94 | R62-E97 IonicContact CZ-OE2 2.75Å; R62-E97 IonicContact NE-OE2 3.33Å; R62-E97 PolarHBondContact NE-OE2 3.37Å; R62-E97 VanDerWaalsContact NE-OE2 3.09Å; R62-E97 IonicContact NH2-OE2 2.85Å; R62-E97 PolarHBondContact NH2-OE2 3.09Å; K67-E97 VanDerWaalsContact CE-OE1 3.29Å; K67-E97 WeakPolarHBondContact CE-OE1 3.49Å; K67-E97 IonicContact NZ-OE1 3.28Å; K67-E97 PolarHBondContact NZ-OE1 2.92Å; D93-E97 PolarHBondContact O-N 3.37Å; A94-E97 PolarHBondContact O-N 3.32Å |
| 98 | Y | 88.8 | Confident | 89.9 | Confident | 61 Ų | 61 | 57.9 Ų | 57.9 | 24% | 0.239 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -85.1 | -47.5 | -176.9 | -178.2 | -92.5 | 0 | 0 | 0 | 113.4 | K67 E68 L71 A94 A95 T96 H100 T101 H102 | K67-Y98 HydrophobicContact CB-CD2 3.84Å; K67-Y98 HydrophobicContact CB-CE2 4.32Å; E68-Y98 HydrophobicContact CB-CE2 4.4Å; L71-Y98 HydrophobicContact CD1-CD1 3.48Å; L71-Y98 VanDerWaalsContact CD1-CD1 3.48Å; L71-Y98 HydrophobicContact CD1-CD2 4.23Å; L71-Y98 HydrophobicContact CD1-CE1 4.05Å; L71-Y98 HydrophobicContact CD1-CG 3.58Å; L71-Y98 HydrophobicContact CG-CG 4.45Å; A94-Y98 WeakPolarHBondContact O-CB 3.29Å; A94-Y98 PolarHBondContact O-N 2.67Å; A95-Y98 PolarHBondContact O-N 2.91Å; T96-Y98 VanDerWaalsContact C-N 3.3Å; T96-Y98 PolarHBondContact O-N 3.19Å; Y98-H100 VanDerWaalsContact C-N 3.35Å; Y98-H100 PolarHBondContact O-N 3.49Å; Y98-T101 PolarHBondContact O-OG1 3.42Å; Y98-H102 AromaticContact CE1-CE1 3.65Å; Y98-H102 PolarHBondContact O-ND1 2.69Å |
| 99 | Y | 88.5 | Confident | 89.7 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 21% | 0.212 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -79.9 | -12.9 | -174 | -68.1 | -59.1 | 0 | 0 | 0 | 113.8 | L71 A95 T101 H102 Y105 K108 M109 | L71-Y99 HydrophobicContact CD1-CE2 4.25Å; A95-Y99 HydrophobicContact CB-CD2 3.98Å; A95-Y99 HydrophobicContact CB-CE2 4.07Å; A95-Y99 WeakPolarHBondContact O-CB 3.2Å; A95-Y99 VanDerWaalsContact O-CD2 3.26Å; A95-Y99 WeakPolarHBondContact O-CD2 3.19Å; A95-Y99 PolarHBondContact O-N 2.9Å; Y99-T101 PolarHBondContact O-N 3.34Å; Y99-H102 WeakPolarHBondContact O-CB 3.45Å; Y99-H102 PolarHBondContact O-N 2.85Å; Y99-Y105 VanDerWaalsContact C-CD2 3.44Å; Y99-Y105 WeakPolarHBondContact O-CB 3.36Å; Y99-Y105 WeakPolarHBondContact O-CD2 3.44Å; Y99-K108 HydrophobicContact CD1-CD 4.1Å; Y99-K108 HydrophobicContact CE1-CD 4.09Å; Y99-M109 HydrophobicContact CD2-SD 4.22Å |
| 100 | H | 85.3 | Confident | 89.7 | Confident | 137 Ų | 137 | 59 Ų | 59 | 63% | 0.634 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -19 | 179.3 | -172.9 | 65.8 | 0 | 0 | 0 | 114.5 | T96 Y98 Y105 | T96-H100 WeakPolarHBondContact O-CB 3.19Å; T96-H100 PolarHBondContact O-N 3.38Å; Y98-H100 VanDerWaalsContact C-N 3.35Å; Y98-H100 PolarHBondContact O-N 3.49Å; H100-Y105 HydrophobicContact CB-CE2 4.48Å |
| 101 | T | 81.7 | Confident | 89.7 | Confident | 118 Ų | 118 | 62 Ų | 62 | 72% | 0.724 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -0.9 | 176.6 | 55 | 0 | 0 | 0 | 0 | 114.9 | Y98 Y99 | Y98-T101 PolarHBondContact O-OG1 3.42Å; Y99-T101 PolarHBondContact O-N 3.34Å |
| 102 | H | 84.2 | Confident | 89.6 | Confident | 65 Ų | 65 | 62.4 Ų | 62.4 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | S | Bend | trans | -106.4 | 140.1 | -174.3 | -66.2 | 67.1 | 0 | 0 | 0 | 111.7 | Y98 Y99 D104 Y105 | Y98-H102 AromaticContact CE1-CE1 3.65Å; Y98-H102 PolarHBondContact O-ND1 2.69Å; Y99-H102 WeakPolarHBondContact O-CB 3.45Å; Y99-H102 PolarHBondContact O-N 2.85Å; H102-D104 PolarHBondContact O-N 3.45Å; H102-Y105 WeakPolarHBondContact O-CB 3.42Å; H102-Y105 PolarHBondContact O-N 3.47Å |
| 103 | D | 81.7 | Confident | 89.6 | Confident | 176 Ų | 176 | 62.5 Ų | 62.5 | 94% | 0.941 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -34.2 | 179 | -56.1 | -50.3 | 0 | 0 | 0 | 113.1 | Y105 | D103-Y105 PolarHBondContact O-N 3.22Š|
| 104 | D | 85.6 | Confident | 89.7 | Confident | 90 Ų | 90 | 61.1 Ų | 61.1 | 48% | 0.481 | 31% | 0.313 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.4 | 3 | 177.8 | -56.9 | -49.1 | 0 | 0 | 0 | 114.7 | H102 E106 T107 K108 | H102-D104 PolarHBondContact O-N 3.45Å; D104-E106 VanDerWaalsContact C-N 3.31Å; D104-E106 PolarHBondContact O-N 3.42Å; D104-E106 VanDerWaalsContact O-N 3.07Å; D104-T107 PolarHBondContact O-N 3.22Å; D104-K108 HydrophobicContact CB-CD 3.8Å; D104-K108 VanDerWaalsContact CB-CE 3.41Å; D104-K108 HydrophobicContact CB-CG 4.09Å; D104-K108 PolarHBondContact O-N 3.39Å; D104-K108 VanDerWaalsContact O-N 3.09Å; D104-K108 VanDerWaalsContact OD2-CE 3.27Å; D104-K108 WeakPolarHBondContact OD2-CE 3.32Å; D104-K108 IonicContact OD2-NZ 2.67Å; D104-K108 PolarHBondContact OD2-NZ 2.8Å |
| 105 | Y | 87.6 | Confident | 89.8 | Confident | 28 Ų | 28 | 63.5 Ų | 63.5 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -38 | -56.3 | -167.4 | 166.1 | -121.4 | 0 | 0 | 0 | 113.5 | Y99 H100 H102 D103 T107 K108 M109 W136 H140 | Y99-Y105 VanDerWaalsContact C-CD2 3.44Å; Y99-Y105 WeakPolarHBondContact O-CB 3.36Å; Y99-Y105 WeakPolarHBondContact O-CD2 3.44Å; H100-Y105 HydrophobicContact CB-CE2 4.48Å; H102-Y105 WeakPolarHBondContact O-CB 3.42Å; H102-Y105 PolarHBondContact O-N 3.47Å; D103-Y105 PolarHBondContact O-N 3.22Å; Y105-T107 PolarHBondContact O-N 2.83Å; Y105-K108 PolarHBondContact O-N 2.68Å; Y105-M109 HydrophobicContact CD2-CG 3.73Å; Y105-M109 HydrophobicContact CE2-CG 3.42Å; Y105-M109 VanDerWaalsContact CE2-CG 3.42Å; Y105-M109 HydrophobicContact CE2-SD 4.27Å; Y105-M109 WeakPolarHBondContact O-CB 3.26Å; Y105-M109 WeakPolarHBondContact O-CG 3.25Å; Y105-M109 PolarHBondContact O-N 2.66Å; Y105-W136 HydrophobicContact CE1-CZ2 4.15Å; Y105-W136 AromaticContact CZ-NE1 3.75Å; Y105-W136 PolarHBondContact OH-NE1 3.46Å; Y105-H140 AromaticContact CE1-NE2 3.55Å |
| 106 | E | 87.7 | Confident | 89.8 | Confident | 58 Ų | 58 | 63.5 Ų | 63.5 | 27% | 0.271 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -69.2 | -36 | -172.8 | -41.6 | -171.4 | 138.8 | 0 | 0 | 113.6 | D104 R110 W136 H140 R142 | D104-E106 VanDerWaalsContact C-N 3.31Å; D104-E106 PolarHBondContact O-N 3.42Å; D104-E106 VanDerWaalsContact O-N 3.07Å; E106-R110 WeakPolarHBondContact O-CB 3.45Å; E106-R110 WeakPolarHBondContact O-CG 3.41Å; E106-R110 PolarHBondContact O-N 3.05Å; E106-R110 PolarHBondContact O-NH1 2.9Å; E106-R110 IonicContact OE2-CZ 3.17Å; E106-R110 IonicContact OE2-NH1 2.98Å; E106-R110 IonicContact OE2-NH2 2.67Å; E106-R110 PolarHBondContact OE2-NH2 2.75Å; E106-W136 HydrophobicContact CB-CH2 4.09Å; E106-H140 IonicContact OE1-CD2 2.72Å; E106-R142 IonicContact OE1-CZ 3.77Å; E106-R142 IonicContact OE1-NH1 2.67Å; E106-R142 PolarHBondContact OE1-NH1 2.7Å; E106-R142 IonicContact OE1-NH2 2.71Å; E106-R142 PolarHBondContact OE1-NH2 3.35Å; E106-R142 IonicContact OE2-CZ 2.89Å; E106-R142 VanDerWaalsContact OE2-CZ 3.28Å; E106-R142 IonicContact OE2-NH1 3.12Å; E106-R142 PolarHBondContact OE2-NH1 2.91Å; E106-R142 IonicContact OE2-NH2 2.84Å; E106-R142 PolarHBondContact OE2-NH2 3.31Å |
| 107 | T | 90.6 | Very high | 89.9 | Confident | 95 Ų | 95 | 62.2 Ų | 62.2 | 58% | 0.583 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -69.7 | -41.7 | -179.7 | -58 | 0 | 0 | 0 | 0 | 109.6 | D104 Y105 S111 | D104-T107 PolarHBondContact O-N 3.22Å; Y105-T107 PolarHBondContact O-N 2.83Å; T107-S111 WeakPolarHBondContact O-CB 3.46Å; T107-S111 PolarHBondContact O-N 2.59Å; T107-S111 VanDerWaalsContact O-N 3.09Å; T107-S111 PolarHBondContact O-OG 3.06Å |
| 108 | K | 90.6 | Very high | 90.1 | Very high | 67 Ų | 67 | 63.3 Ų | 63.3 | 29% | 0.291 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.8 | -49.9 | 173.8 | -70.3 | 174.4 | -176 | 160.4 | 0 | 110.8 | Y99 D104 Y105 R110 S111 L112 | Y99-K108 HydrophobicContact CD1-CD 4.1Å; Y99-K108 HydrophobicContact CE1-CD 4.09Å; D104-K108 HydrophobicContact CB-CD 3.8Å; D104-K108 VanDerWaalsContact CB-CE 3.41Å; D104-K108 HydrophobicContact CB-CG 4.09Å; D104-K108 PolarHBondContact O-N 3.39Å; D104-K108 VanDerWaalsContact O-N 3.09Å; D104-K108 VanDerWaalsContact OD2-CE 3.27Å; D104-K108 WeakPolarHBondContact OD2-CE 3.32Å; D104-K108 IonicContact OD2-NZ 2.67Å; D104-K108 PolarHBondContact OD2-NZ 2.8Å; Y105-K108 PolarHBondContact O-N 2.68Å; K108-R110 PolarHBondContact O-N 2.87Å; K108-S111 PolarHBondContact O-N 3.43Å; K108-S111 PolarHBondContact O-OG 2.95Å; K108-L112 PolarHBondContact O-N 2.92Å |
| 109 | M | 92.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.5 | -47.9 | 178.1 | -72.5 | -54 | -58.9 | 0 | 0 | 113 | L92 A95 T96 Y99 Y105 S111 L112 Y113 W136 | L92-M109 HydrophobicContact CD2-CE 4.15Å; A95-M109 HydrophobicContact CB-CE 4.46Å; A95-M109 HydrophobicContact CB-SD 3.98Å; T96-M109 VanDerWaalsContact OG1-CE 3.24Å; T96-M109 WeakPolarHBondContact OG1-CE 3.41Å; Y99-M109 HydrophobicContact CD2-SD 4.22Å; Y105-M109 HydrophobicContact CD2-CG 3.73Å; Y105-M109 HydrophobicContact CE2-CG 3.42Å; Y105-M109 VanDerWaalsContact CE2-CG 3.42Å; Y105-M109 HydrophobicContact CE2-SD 4.27Å; Y105-M109 WeakPolarHBondContact O-CB 3.26Å; Y105-M109 WeakPolarHBondContact O-CG 3.25Å; Y105-M109 PolarHBondContact O-N 2.66Å; M109-S111 VanDerWaalsContact C-N 3.34Å; M109-S111 PolarHBondContact O-N 3.32Å; M109-L112 WeakPolarHBondContact O-CA 3.45Å; M109-L112 WeakPolarHBondContact O-CB 3.44Å; M109-L112 PolarHBondContact O-N 3.14Å; M109-Y113 HydrophobicContact CB-CD2 4.45Å; M109-Y113 HydrophobicContact CB-CE2 4.35Å; M109-Y113 HydrophobicContact CE-CD2 4.37Å; M109-Y113 HydrophobicContact CE-CE2 3.66Å; M109-Y113 WeakPolarHBondContact O-CD2 3.34Å; M109-Y113 PolarHBondContact O-N 2.92Å; M109-W136 HydrophobicContact CB-CH2 3.8Å; M109-W136 HydrophobicContact CB-CZ2 3.36Å; M109-W136 HydrophobicContact CG-CZ2 3.92Å |
| 110 | R | 93.6 | Very high | 90.3 | Very high | 56 Ų | 56 | 59.6 Ų | 59.6 | 21% | 0.211 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -59.1 | -43.5 | 176 | -72.5 | -176.5 | -148 | 96.8 | -0.8 | 112.3 | E106 K108 L112 Y113 E114 W136 E137 | E106-R110 WeakPolarHBondContact O-CB 3.45Å; E106-R110 WeakPolarHBondContact O-CG 3.41Å; E106-R110 PolarHBondContact O-N 3.05Å; E106-R110 PolarHBondContact O-NH1 2.9Å; E106-R110 IonicContact OE2-CZ 3.17Å; E106-R110 IonicContact OE2-NH1 2.98Å; E106-R110 IonicContact OE2-NH2 2.67Å; E106-R110 PolarHBondContact OE2-NH2 2.75Å; K108-R110 PolarHBondContact O-N 2.87Å; R110-L112 PolarHBondContact O-N 3.39Å; R110-Y113 PolarHBondContact O-N 3.25Å; R110-E114 WeakPolarHBondContact O-CG 3.34Å; R110-E114 PolarHBondContact O-N 3.14Å; R110-W136 HydrophobicContact CG-CH2 3.92Å; R110-W136 HydrophobicContact CG-CZ3 3.61Å; R110-E137 VanDerWaalsContact CD-OE1 3.27Å; R110-E137 WeakPolarHBondContact CD-OE1 3.46Å; R110-E137 WeakPolarHBondContact CG-OE1 3.44Å; R110-E137 IonicContact NE-OE1 2.79Å; R110-E137 PolarHBondContact NE-OE1 3.34Å |
| 111 | S | 94.4 | Very high | 90.4 | Very high | 76 Ų | 76 | 53.2 Ų | 53.2 | 53% | 0.531 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -61.5 | -32.5 | 176.7 | 72.8 | 0 | 0 | 0 | 0 | 112.5 | T107 K108 M109 S115 | T107-S111 WeakPolarHBondContact O-CB 3.46Å; T107-S111 PolarHBondContact O-N 2.59Å; T107-S111 VanDerWaalsContact O-N 3.09Å; T107-S111 PolarHBondContact O-OG 3.06Å; K108-S111 PolarHBondContact O-N 3.43Å; K108-S111 PolarHBondContact O-OG 2.95Å; M109-S111 VanDerWaalsContact C-N 3.34Å; M109-S111 PolarHBondContact O-N 3.32Å; S111-S115 WeakPolarHBondContact O-CB 3.24Å; S111-S115 PolarHBondContact O-N 3.4Å |
| 112 | L | 94.2 | Very high | 90.9 | Very high | 23 Ų | 23 | 49.3 Ų | 49.3 | 12% | 0.12 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -74.6 | -42.2 | 177.3 | -159.9 | 59.5 | 0 | 0 | 0 | 112.3 | W88 Y91 L92 A95 K108 M109 R110 S115 A116 | W88-L112 HydrophobicContact CZ3-CD1 4.43Å; Y91-L112 HydrophobicContact CD1-CD1 4.46Å; Y91-L112 HydrophobicContact CE1-CD1 3.67Å; Y91-L112 HydrophobicContact CE1-CD2 4.25Å; Y91-L112 HydrophobicContact CE1-CG 4.33Å; L92-L112 HydrophobicContact CD2-CB 4.17Å; L92-L112 HydrophobicContact CD2-CD2 3.97Å; L92-L112 HydrophobicContact CD2-CG 3.85Å; A95-L112 HydrophobicContact CB-CD2 3.49Å; A95-L112 VanDerWaalsContact CB-CD2 3.49Å; K108-L112 PolarHBondContact O-N 2.92Å; M109-L112 WeakPolarHBondContact O-CA 3.45Å; M109-L112 WeakPolarHBondContact O-CB 3.44Å; M109-L112 PolarHBondContact O-N 3.14Å; R110-L112 PolarHBondContact O-N 3.39Å; L112-S115 PolarHBondContact O-N 3.48Å; L112-A116 WeakPolarHBondContact O-CB 3.4Å; L112-A116 PolarHBondContact O-N 2.91Å |
| 113 | Y | 94.9 | Very high | 91.2 | Very high | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.008 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 173.4 | -79.7 | -67.1 | 0 | 0 | 0 | 112.3 | L92 M109 R110 A116 L117 H132 Y133 W136 | L92-Y113 HydrophobicContact CB-CE1 4.41Å; L92-Y113 HydrophobicContact CD1-CD1 3.79Å; L92-Y113 HydrophobicContact CD1-CE1 3.73Å; L92-Y113 HydrophobicContact CD2-CD1 3.79Å; L92-Y113 HydrophobicContact CD2-CD2 4.43Å; L92-Y113 HydrophobicContact CD2-CE1 3.84Å; L92-Y113 HydrophobicContact CD2-CE2 4.44Å; L92-Y113 HydrophobicContact CD2-CG 4.1Å; L92-Y113 HydrophobicContact CG-CD1 4.4Å; L92-Y113 HydrophobicContact CG-CE1 4.21Å; M109-Y113 HydrophobicContact CB-CD2 4.45Å; M109-Y113 HydrophobicContact CB-CE2 4.35Å; M109-Y113 HydrophobicContact CE-CD2 4.37Å; M109-Y113 HydrophobicContact CE-CE2 3.66Å; M109-Y113 WeakPolarHBondContact O-CD2 3.34Å; M109-Y113 PolarHBondContact O-N 2.92Å; R110-Y113 PolarHBondContact O-N 3.25Å; Y113-A116 WeakPolarHBondContact O-CB 3.44Å; Y113-A116 PolarHBondContact O-N 2.94Å; Y113-L117 WeakPolarHBondContact O-CG 3.46Å; Y113-L117 PolarHBondContact O-N 3.32Å; Y113-H132 AromaticContact CE1-ND1 3.38Å; Y113-H132 WeakPolarHBondContact CE1-ND1 3.43Å; Y113-H132 AromaticContact CZ-ND1 3.53Å; Y113-H132 PolarHBondContact OH-CE1 3.06Å; Y113-H132 PolarHBondContact OH-ND1 3.13Å; Y113-Y133 HydrophobicContact CD1-CD1 4.39Å; Y113-Y133 AromaticContact CD1-CD2 3.76Å; Y113-Y133 HydrophobicContact CD1-CD2 3.76Å; Y113-Y133 AromaticContact CD1-CG 3.65Å; Y113-Y133 HydrophobicContact CD1-CG 3.65Å; Y113-Y133 AromaticContact CD2-CD2 3.58Å; Y113-Y133 HydrophobicContact CD2-CD2 3.58Å; Y113-Y133 AromaticContact CD2-CE2 3.86Å; Y113-Y133 HydrophobicContact CD2-CE2 3.86Å; Y113-Y133 HydrophobicContact CD2-CG 4.32Å; Y113-Y133 HydrophobicContact CE1-CD2 4.27Å; Y113-Y133 HydrophobicContact CE1-CG 4.28Å; Y113-Y133 HydrophobicContact CE2-CD2 4.14Å; Y113-Y133 HydrophobicContact CG-CD1 4.31Å; Y113-Y133 AromaticContact CG-CD2 3.39Å; Y113-Y133 HydrophobicContact CG-CD2 3.39Å; Y113-Y133 AromaticContact CG-CE2 3.8Å; Y113-Y133 HydrophobicContact CG-CE2 3.8Å; Y113-Y133 AromaticContact CG-CG 3.68Å; Y113-Y133 HydrophobicContact CG-CG 3.68Å; Y113-W136 HydrophobicContact CD2-CD2 4.35Å; Y113-W136 HydrophobicContact CD2-CE3 4.22Å; Y113-W136 HydrophobicContact CE2-CB 4.02Å; Y113-W136 AromaticContact CE2-CD1 3.99Å; Y113-W136 AromaticContact CE2-CD2 3.58Å; Y113-W136 HydrophobicContact CE2-CD2 3.58Å; Y113-W136 AromaticContact CE2-CE3 3.89Å; Y113-W136 HydrophobicContact CE2-CE3 3.89Å; Y113-W136 AromaticContact CE2-CG 3.62Å; Y113-W136 HydrophobicContact CE2-CG 3.62Å; Y113-W136 AromaticContact CZ-CG 3.88Å; Y113-W136 WeakPolarHBondContact OH-CB 3.31Å |
| 114 | E | 95.2 | Very high | 91.7 | Very high | 57 Ų | 57 | 38.9 Ų | 38.9 | 27% | 0.266 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.2 | -40.1 | 176.4 | -65.3 | -59.1 | 159.9 | 0 | 0 | 111.5 | R110 A116 L117 D118 Y133 R152 | R110-E114 WeakPolarHBondContact O-CG 3.34Å; R110-E114 PolarHBondContact O-N 3.14Å; E114-A116 VanDerWaalsContact C-N 3.27Å; E114-A116 PolarHBondContact O-N 2.9Å; E114-L117 PolarHBondContact O-N 3.49Å; E114-D118 PolarHBondContact O-N 2.9Å; E114-Y133 VanDerWaalsContact OE1-CE1 3.29Å; E114-Y133 WeakPolarHBondContact OE1-CE1 3.24Å; E114-Y133 PolarHBondContact OE1-OH 3.24Å; E114-R152 IonicContact OE1-CZ 2.81Å; E114-R152 IonicContact OE1-NH1 3.16Å; E114-R152 PolarHBondContact OE1-NH1 2.96Å; E114-R152 IonicContact OE2-CZ 3.78Å; E114-R152 VanDerWaalsContact OE2-CZ 3.23Å; E114-R152 IonicContact OE2-NH1 2.7Å; E114-R152 PolarHBondContact OE2-NH1 3.43Å; E114-R152 IonicContact OE2-NH2 2.9Å; E114-R152 PolarHBondContact OE2-NH2 3.18Å |
| 115 | S | 94.2 | Very high | 92 | Very high | 58 Ų | 58 | 37.7 Ų | 37.7 | 41% | 0.406 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -62.7 | -32.4 | 172.7 | -172.4 | 0 | 0 | 0 | 0 | 113.1 | S111 L112 S119 | S111-S115 WeakPolarHBondContact O-CB 3.24Å; S111-S115 PolarHBondContact O-N 3.4Å; L112-S115 PolarHBondContact O-N 3.48Å; S115-S119 PolarHBondContact O-N 3.4Å; S115-S119 PolarHBondContact O-OG 2.93Å |
| 116 | A | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -70.1 | -44.2 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | W88 L92 L112 Y113 E114 S119 V120 L129 | W88-A116 HydrophobicContact CD2-CB 3.69Å; W88-A116 HydrophobicContact CE3-CB 3.3Å; W88-A116 HydrophobicContact CG-CB 4.31Å; W88-A116 HydrophobicContact CH2-CB 4.18Å; W88-A116 HydrophobicContact CZ3-CB 3.58Å; L92-A116 HydrophobicContact CD1-CB 4.28Å; L112-A116 WeakPolarHBondContact O-CB 3.4Å; L112-A116 PolarHBondContact O-N 2.91Å; Y113-A116 WeakPolarHBondContact O-CB 3.44Å; Y113-A116 PolarHBondContact O-N 2.94Å; E114-A116 VanDerWaalsContact C-N 3.27Å; E114-A116 PolarHBondContact O-N 2.9Å; A116-S119 PolarHBondContact O-N 2.8Å; A116-S119 VanDerWaalsContact O-N 3.15Å; A116-V120 PolarHBondContact O-N 2.91Å; A116-L129 HydrophobicContact CB-CD1 3.99Å; A116-L129 HydrophobicContact CB-CD2 4.02Å |
| 117 | L | 93.7 | Very high | 92.5 | Very high | 10 Ų | 10 | 34 Ų | 34 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.9 | -35.6 | 176.7 | -70.4 | -172.4 | 0 | 0 | 0 | 113 | Y113 E114 S119 G121 L129 W130 Y133 | Y113-L117 WeakPolarHBondContact O-CG 3.46Å; Y113-L117 PolarHBondContact O-N 3.32Å; E114-L117 PolarHBondContact O-N 3.49Å; L117-S119 PolarHBondContact O-N 3.23Å; L117-G121 WeakPolarHBondContact O-CA 3.43Å; L117-G121 PolarHBondContact O-N 3.18Å; L117-L129 HydrophobicContact CD2-CD2 4.1Å; L117-L129 HydrophobicContact CD2-CG 4.21Å; L117-W130 HydrophobicContact CD1-CE3 3.99Å; L117-W130 HydrophobicContact CD1-CH2 3.78Å; L117-W130 HydrophobicContact CD1-CZ2 4.48Å; L117-W130 HydrophobicContact CD1-CZ3 3.51Å; L117-W130 HydrophobicContact CD2-CD2 3.75Å; L117-W130 HydrophobicContact CD2-CE3 3.89Å; L117-W130 HydrophobicContact CD2-CG 4.43Å; L117-W130 HydrophobicContact CD2-CH2 3.89Å; L117-W130 HydrophobicContact CD2-CZ2 3.74Å; L117-W130 HydrophobicContact CD2-CZ3 3.97Å; L117-W130 HydrophobicContact CG-CH2 4.37Å; L117-W130 HydrophobicContact CG-CZ3 4.38Å; L117-Y133 HydrophobicContact CD1-CD1 3.75Å; L117-Y133 HydrophobicContact CD1-CE1 3.86Å; L117-Y133 HydrophobicContact CG-CD1 4.42Å |
| 118 | D | 92.1 | Very high | 92.6 | Very high | 98 Ų | 98 | 32 Ų | 32 | 52% | 0.524 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -68.6 | -23.4 | 172.7 | -97.5 | -41.1 | 0 | 0 | 0 | 112.5 | E114 R331 | E114-D118 PolarHBondContact O-N 2.9Å; D118-R331 PolarHBondContact O-NH2 3.32Å; D118-R331 IonicContact OD1-CZ 2.73Å; D118-R331 IonicContact OD1-NH1 3.37Å; D118-R331 PolarHBondContact OD1-NH1 2.89Å; D118-R331 VanDerWaalsContact OD1-NH1 3.1Å; D118-R331 IonicContact OD1-NH2 3.05Å; D118-R331 PolarHBondContact OD1-NH2 2.96Å |
| 119 | S | 90.1 | Very high | 92.8 | Very high | 37 Ų | 37 | 28.8 Ų | 28.8 | 26% | 0.259 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -89.5 | -42.3 | 178.5 | -54.5 | 0 | 0 | 0 | 0 | 113 | P82 L83 W88 S115 A116 L117 | P82-S119 WeakPolarHBondContact O-CB 3.35Å; L83-S119 WeakPolarHBondContact CD2-O 3.3Å; W88-S119 WeakPolarHBondContact CZ2-OG 3.47Å; S115-S119 PolarHBondContact O-N 3.4Å; S115-S119 PolarHBondContact O-OG 2.93Å; A116-S119 PolarHBondContact O-N 2.8Å; A116-S119 VanDerWaalsContact O-N 3.15Å; L117-S119 PolarHBondContact O-N 3.23Å |
| 120 | V | 90.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -120 | -13.9 | -169.7 | -160.4 | 0 | 0 | 0 | 0 | 113.6 | P82 V85 W88 A116 L122 E123 L129 | P82-V120 WeakPolarHBondContact O-CG2 3.2Å; V85-V120 HydrophobicContact CB-CG1 4.28Å; V85-V120 HydrophobicContact CG2-CG1 3.44Å; V85-V120 VanDerWaalsContact CG2-CG1 3.44Å; W88-V120 HydrophobicContact CG-CG2 3.92Å; W88-V120 VanDerWaalsContact NE1-CG2 3.31Å; A116-V120 PolarHBondContact O-N 2.91Å; V120-L122 PolarHBondContact O-N 3.37Å; V120-E123 HydrophobicContact CG1-CB 3.79Å; V120-E123 HydrophobicContact CG1-CG 4.37Å; V120-E123 WeakPolarHBondContact O-CB 3.39Å; V120-E123 PolarHBondContact O-N 2.98Å; V120-L129 HydrophobicContact CB-CD2 3.83Å; V120-L129 HydrophobicContact CG1-CD2 4.44Å; V120-L129 HydrophobicContact CG2-CD2 4.24Å |
| 121 | G | 89 | Confident | 92.9 | Very high | 3 Ų | 3 | 32.8 Ų | 32.8 | 3% | 0.031 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -4.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L117 I156 | L117-G121 WeakPolarHBondContact O-CA 3.43Å; L117-G121 PolarHBondContact O-N 3.18Å; G121-I156 VanDerWaalsContact O-CG2 3.3Å; G121-I156 WeakPolarHBondContact O-CG2 3.49Å |
| 122 | L | 90.9 | Very high | 92.8 | Very high | 36 Ų | 36 | 31.1 Ų | 31.1 | 19% | 0.188 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 6 | 171.2 | -63.6 | 176.5 | 0 | 0 | 0 | 113.4 | V120 I156 L328 R331 V335 | V120-L122 PolarHBondContact O-N 3.37Å; L122-I156 HydrophobicContact CD2-CG1 4.44Å; L122-L328 HydrophobicContact CD1-CD1 4.14Å; L122-L328 HydrophobicContact CD2-CD1 4.07Å; L122-R331 HydrophobicContact CD1-CB 4.36Å; L122-R331 HydrophobicContact CD1-CG 3.75Å; L122-V335 HydrophobicContact CB-CG1 4.32Å; L122-V335 HydrophobicContact CB-CG2 4.42Å |
| 123 | E | 92 | Very high | 92.8 | Very high | 14 Ų | 14 | 30.4 Ų | 30.4 | 7% | 0.065 | 16% | 0.163 | C | C | . | . | S | Bend | trans | -80.2 | 135.4 | 175.4 | -155.9 | -65.2 | 123.6 | 0 | 0 | 109.7 | V85 V120 R125 S126 R339 | V85-E123 HydrophobicContact CG2-CG 4.45Å; V120-E123 HydrophobicContact CG1-CB 3.79Å; V120-E123 HydrophobicContact CG1-CG 4.37Å; V120-E123 WeakPolarHBondContact O-CB 3.39Å; V120-E123 PolarHBondContact O-N 2.98Å; E123-R125 PolarHBondContact O-N 3.26Å; E123-R125 VanDerWaalsContact OE2-CA 3.22Å; E123-R125 WeakPolarHBondContact OE2-CA 3.21Å; E123-R125 VanDerWaalsContact OE2-CB 3.3Å; E123-R125 WeakPolarHBondContact OE2-CB 3.36Å; E123-R125 PolarHBondContact OE2-N 3.15Å; E123-S126 WeakPolarHBondContact O-CB 3.34Å; E123-S126 PolarHBondContact O-N 3.02Å; E123-S126 VanDerWaalsContact O-N 3.11Å; E123-S126 PolarHBondContact O-OG 3.28Å; E123-S126 PolarHBondContact OE2-N 3.19Å; E123-R339 HydrophobicContact CG-CG 4.29Å; E123-R339 IonicContact OE1-CZ 2.7Å; E123-R339 IonicContact OE1-NE 3.72Å; E123-R339 PolarHBondContact OE1-NE 3.37Å; E123-R339 IonicContact OE1-NH2 2.98Å; E123-R339 PolarHBondContact OE1-NH2 2.89Å |
| 124 | F | 91.2 | Very high | 92.8 | Very high | 9 Ų | 9 | 30.9 Ų | 30.9 | 4% | 0.039 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -24 | -169.3 | -171.9 | -106.5 | 0 | 0 | 0 | 114.1 | P157 T158 Q159 I255 W259 E262 | F124-P157 VanDerWaalsContact CD2-O 3.3Å; F124-P157 WeakPolarHBondContact CD2-O 3.43Å; F124-T158 CarbonylContact O-C 3.48Å; F124-T158 VanDerWaalsContact O-CA 3.31Å; F124-T158 WeakPolarHBondContact O-CA 2.88Å; F124-Q159 HydrophobicContact CD1-CB 3.99Å; F124-Q159 HydrophobicContact CE1-CB 3.69Å; F124-Q159 HydrophobicContact CE1-CG 4.04Å; F124-Q159 HydrophobicContact CZ-CB 4.3Å; F124-Q159 PolarHBondContact O-N 2.82Å; F124-I255 HydrophobicContact CE2-CG2 4.12Å; F124-I255 HydrophobicContact CZ-CG2 4.19Å; F124-W259 AromaticContact CZ-CE3 3.97Å; F124-W259 HydrophobicContact CZ-CE3 3.97Å; F124-W259 HydrophobicContact CZ-CZ3 4.21Å; F124-E262 HydrophobicContact CB-CG 4.22Å; F124-E262 HydrophobicContact CD1-CB 3.74Å; F124-E262 HydrophobicContact CD1-CG 3.57Å; F124-E262 HydrophobicContact CD2-CG 4.12Å; F124-E262 HydrophobicContact CE1-CB 3.72Å; F124-E262 HydrophobicContact CE1-CG 3.9Å; F124-E262 HydrophobicContact CE2-CG 4.42Å; F124-E262 HydrophobicContact CG-CB 4.38Å; F124-E262 HydrophobicContact CG-CG 3.69Å; F124-E262 HydrophobicContact CZ-CB 4.35Å; F124-E262 HydrophobicContact CZ-CG 4.32Å |
| 125 | R | 91.6 | Very high | 92.6 | Very high | 65 Ų | 65 | 31.5 Ų | 31.5 | 25% | 0.245 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.6 | 19.2 | 179.8 | -52.1 | 179 | 170.6 | 66.5 | 3.6 | 111.6 | E123 D127 E262 | E123-R125 PolarHBondContact O-N 3.26Å; E123-R125 VanDerWaalsContact OE2-CA 3.22Å; E123-R125 WeakPolarHBondContact OE2-CA 3.21Å; E123-R125 VanDerWaalsContact OE2-CB 3.3Å; E123-R125 WeakPolarHBondContact OE2-CB 3.36Å; E123-R125 PolarHBondContact OE2-N 3.15Å; R125-D127 PolarHBondContact O-N 3.4Å; R125-D127 VanDerWaalsContact O-N 3.15Å; R125-E262 IonicContact CZ-OE2 2.77Å; R125-E262 IonicContact NH1-OE2 3.89Å; R125-E262 PolarHBondContact NH1-OE2 3.35Å; R125-E262 PolarHBondContact NH2-O 3.45Å; R125-E262 IonicContact NH2-OE2 2.9Å |
| 126 | S | 93.5 | Very high | 92.6 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -4.2 | 179.5 | 59.3 | 0 | 0 | 0 | 0 | 114.6 | E123 A128 L129 W130 | E123-S126 WeakPolarHBondContact O-CB 3.34Å; E123-S126 PolarHBondContact O-N 3.02Å; E123-S126 VanDerWaalsContact O-N 3.11Å; E123-S126 PolarHBondContact O-OG 3.28Å; E123-S126 PolarHBondContact OE2-N 3.19Å; S126-A128 VanDerWaalsContact C-N 3.25Å; S126-A128 PolarHBondContact O-N 3.48Å; S126-A128 VanDerWaalsContact O-N 3.07Å; S126-L129 WeakPolarHBondContact O-CB 3.4Å; S126-L129 PolarHBondContact O-N 3.19Å; S126-W130 VanDerWaalsContact O-CD1 3.25Å; S126-W130 PolarHBondContact O-N 2.88Å; S126-W130 PolarHBondContact OG-NE1 3.1Å |
| 127 | D | 93.3 | Very high | 92.5 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 5% | 0.048 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -44.1 | -45.2 | -175.9 | -60.7 | -84.1 | 0 | 0 | 0 | 113.7 | R125 L129 W130 E131 T158 Q159 L160 N164 | R125-D127 PolarHBondContact O-N 3.4Å; R125-D127 VanDerWaalsContact O-N 3.15Å; D127-L129 VanDerWaalsContact C-N 3.31Å; D127-L129 PolarHBondContact O-N 2.89Å; D127-W130 WeakPolarHBondContact O-CB 3.44Å; D127-W130 PolarHBondContact O-N 3.11Å; D127-W130 VanDerWaalsContact O-N 3.14Å; D127-E131 PolarHBondContact O-N 3.42Å; D127-T158 WeakPolarHBondContact OD1-CB 3.49Å; D127-T158 PolarHBondContact OD1-OG1 3.29Å; D127-Q159 PolarHBondContact OD2-N 3.22Å; D127-L160 HydrophobicContact CB-CB 4.15Å; D127-L160 HydrophobicContact CB-CD1 4.09Å; D127-L160 HydrophobicContact CB-CG 4.16Å; D127-L160 WeakPolarHBondContact OD1-CB 3.17Å; D127-L160 PolarHBondContact OD1-N 3.11Å; D127-L160 VanDerWaalsContact OD1-N 3.17Å; D127-L160 PolarHBondContact OD2-N 2.92Å; D127-N164 PolarHBondContact OD1-ND2 3.07Å |
| 128 | A | 92.9 | Very high | 92.3 | Very high | 51 Ų | 51 | 30.9 Ų | 30.9 | 42% | 0.421 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -64.3 | -29.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S126 H132 | S126-A128 VanDerWaalsContact C-N 3.25Å; S126-A128 PolarHBondContact O-N 3.48Å; S126-A128 VanDerWaalsContact O-N 3.07Å; A128-H132 WeakPolarHBondContact O-CB 3.12Å; A128-H132 PolarHBondContact O-N 3.23Å; A128-H132 VanDerWaalsContact O-N 3.11Å |
| 129 | L | 94 | Very high | 92.2 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.1 | -37.5 | 174.6 | 177.3 | 63.5 | 0 | 0 | 0 | 111.2 | V85 W88 T89 L92 A116 L117 V120 S126 D127 Y133 | V85-L129 HydrophobicContact CG1-CB 4.3Å; W88-L129 HydrophobicContact CB-CD1 4.43Å; T89-L129 HydrophobicContact CG2-CD1 4.49Å; L92-L129 HydrophobicContact CD1-CD1 3.37Å; A116-L129 HydrophobicContact CB-CD1 3.99Å; A116-L129 HydrophobicContact CB-CD2 4.02Å; L117-L129 HydrophobicContact CD2-CD2 4.1Å; L117-L129 HydrophobicContact CD2-CG 4.21Å; V120-L129 HydrophobicContact CB-CD2 3.83Å; V120-L129 HydrophobicContact CG1-CD2 4.44Å; V120-L129 HydrophobicContact CG2-CD2 4.24Å; S126-L129 WeakPolarHBondContact O-CB 3.4Å; S126-L129 PolarHBondContact O-N 3.19Å; D127-L129 VanDerWaalsContact C-N 3.31Å; D127-L129 PolarHBondContact O-N 2.89Å; L129-Y133 PolarHBondContact O-N 3.28Å |
| 130 | W | 94.6 | Very high | 92.1 | Very high | 3 Ų | 3 | 30.1 Ų | 30.1 | 1% | 0.011 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -67.5 | -44.8 | 174.3 | -64.7 | 97.8 | 0 | 0 | 0 | 111.4 | L117 S126 D127 H132 Y133 I134 I149 R152 L153 I156 | L117-W130 HydrophobicContact CD1-CE3 3.99Å; L117-W130 HydrophobicContact CD1-CH2 3.78Å; L117-W130 HydrophobicContact CD1-CZ2 4.48Å; L117-W130 HydrophobicContact CD1-CZ3 3.51Å; L117-W130 HydrophobicContact CD2-CD2 3.75Å; L117-W130 HydrophobicContact CD2-CE3 3.89Å; L117-W130 HydrophobicContact CD2-CG 4.43Å; L117-W130 HydrophobicContact CD2-CH2 3.89Å; L117-W130 HydrophobicContact CD2-CZ2 3.74Å; L117-W130 HydrophobicContact CD2-CZ3 3.97Å; L117-W130 HydrophobicContact CG-CH2 4.37Å; L117-W130 HydrophobicContact CG-CZ3 4.38Å; S126-W130 VanDerWaalsContact O-CD1 3.25Å; S126-W130 PolarHBondContact O-N 2.88Å; S126-W130 PolarHBondContact OG-NE1 3.1Å; D127-W130 WeakPolarHBondContact O-CB 3.44Å; D127-W130 PolarHBondContact O-N 3.11Å; D127-W130 VanDerWaalsContact O-N 3.14Å; W130-H132 VanDerWaalsContact C-N 3.31Å; W130-H132 PolarHBondContact O-N 3.48Å; W130-Y133 PolarHBondContact O-N 3.35Å; W130-I134 HydrophobicContact CB-CD1 4.46Å; W130-I134 WeakPolarHBondContact O-CB 3.42Å; W130-I134 WeakPolarHBondContact O-CD1 3.46Å; W130-I134 WeakPolarHBondContact O-CG1 3.43Å; W130-I134 PolarHBondContact O-N 3.41Å; W130-I149 HydrophobicContact CE3-CG2 3.74Å; W130-I149 HydrophobicContact CZ3-CG2 4.03Å; W130-R152 HydrophobicContact CH2-CB 4.14Å; W130-R152 HydrophobicContact CZ3-CB 4Å; W130-L153 HydrophobicContact CB-CD1 4.2Å; W130-L153 HydrophobicContact CB-CD2 3.95Å; W130-L153 HydrophobicContact CD2-CB 4.23Å; W130-L153 HydrophobicContact CD2-CD1 3.88Å; W130-L153 HydrophobicContact CD2-CG 4.47Å; W130-L153 HydrophobicContact CE3-CB 3.99Å; W130-L153 HydrophobicContact CE3-CD1 4.5Å; W130-L153 HydrophobicContact CG-CD1 3.71Å; W130-L153 HydrophobicContact CG-CD2 4.31Å; W130-L153 HydrophobicContact CG-CG 4.45Å; W130-L153 HydrophobicContact CZ3-CB 4.34Å; W130-I156 HydrophobicContact CH2-CD1 3.63Å; W130-I156 HydrophobicContact CZ2-CD1 3.44Å; W130-I156 VanDerWaalsContact CZ2-CD1 3.44Å |
| 131 | E | 93.6 | Very high | 91.8 | Very high | 137 Ų | 137 | 36.8 Ų | 36.8 | 64% | 0.64 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -58.9 | -40.9 | 175.4 | -173.1 | 177.3 | -165.9 | 0 | 0 | 111.9 | D127 I134 S135 | D127-E131 PolarHBondContact O-N 3.42Å; E131-I134 PolarHBondContact O-N 3.32Å; E131-S135 VanDerWaalsContact O-CB 3.28Å; E131-S135 WeakPolarHBondContact O-CB 3.22Å; E131-S135 PolarHBondContact O-N 2.93Å; E131-S135 PolarHBondContact O-OG 3.46Å |
| 132 | H | 93.1 | Very high | 91.8 | Very high | 40 Ų | 40 | 40 Ų | 40 | 19% | 0.185 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.9 | -45.3 | 176.2 | -160.6 | -86.3 | 0 | 0 | 0 | 112.4 | D93 Y113 A128 W130 S135 W136 | D93-H132 IonicContact OD1-CD2 2.68Å; D93-H132 IonicContact OD1-CE1 3.17Å; D93-H132 IonicContact OD1-NE2 3.74Å; D93-H132 PolarHBondContact OD1-NE2 2.68Å; Y113-H132 AromaticContact CE1-ND1 3.38Å; Y113-H132 WeakPolarHBondContact CE1-ND1 3.43Å; Y113-H132 AromaticContact CZ-ND1 3.53Å; Y113-H132 PolarHBondContact OH-CE1 3.06Å; Y113-H132 PolarHBondContact OH-ND1 3.13Å; A128-H132 WeakPolarHBondContact O-CB 3.12Å; A128-H132 PolarHBondContact O-N 3.23Å; A128-H132 VanDerWaalsContact O-N 3.11Å; W130-H132 VanDerWaalsContact C-N 3.31Å; W130-H132 PolarHBondContact O-N 3.48Å; H132-S135 PolarHBondContact O-OG 3.07Å; H132-S135 VanDerWaalsContact O-OG 3.06Å; H132-W136 VanDerWaalsContact O-CB 3.32Å; H132-W136 WeakPolarHBondContact O-CB 3.31Å; H132-W136 PolarHBondContact O-N 3.16Å |
| 133 | Y | 94.2 | Very high | 91.6 | Very high | 9 Ų | 9 | 39.7 Ų | 39.7 | 4% | 0.035 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.5 | -40.4 | 177.7 | -170.8 | -164.6 | 0 | 0 | 0 | 112.7 | Y113 E114 L117 L129 W130 W136 E137 I149 | Y113-Y133 HydrophobicContact CD1-CD1 4.39Å; Y113-Y133 AromaticContact CD1-CD2 3.76Å; Y113-Y133 HydrophobicContact CD1-CD2 3.76Å; Y113-Y133 AromaticContact CD1-CG 3.65Å; Y113-Y133 HydrophobicContact CD1-CG 3.65Å; Y113-Y133 AromaticContact CD2-CD2 3.58Å; Y113-Y133 HydrophobicContact CD2-CD2 3.58Å; Y113-Y133 AromaticContact CD2-CE2 3.86Å; Y113-Y133 HydrophobicContact CD2-CE2 3.86Å; Y113-Y133 HydrophobicContact CD2-CG 4.32Å; Y113-Y133 HydrophobicContact CE1-CD2 4.27Å; Y113-Y133 HydrophobicContact CE1-CG 4.28Å; Y113-Y133 HydrophobicContact CE2-CD2 4.14Å; Y113-Y133 HydrophobicContact CG-CD1 4.31Å; Y113-Y133 AromaticContact CG-CD2 3.39Å; Y113-Y133 HydrophobicContact CG-CD2 3.39Å; Y113-Y133 AromaticContact CG-CE2 3.8Å; Y113-Y133 HydrophobicContact CG-CE2 3.8Å; Y113-Y133 AromaticContact CG-CG 3.68Å; Y113-Y133 HydrophobicContact CG-CG 3.68Å; E114-Y133 VanDerWaalsContact OE1-CE1 3.29Å; E114-Y133 WeakPolarHBondContact OE1-CE1 3.24Å; E114-Y133 PolarHBondContact OE1-OH 3.24Å; L117-Y133 HydrophobicContact CD1-CD1 3.75Å; L117-Y133 HydrophobicContact CD1-CE1 3.86Å; L117-Y133 HydrophobicContact CG-CD1 4.42Å; L129-Y133 PolarHBondContact O-N 3.28Å; W130-Y133 PolarHBondContact O-N 3.35Å; Y133-W136 HydrophobicContact CD2-CE3 4.41Å; Y133-W136 HydrophobicContact CE2-CE3 4.42Å; Y133-W136 PolarHBondContact O-N 2.85Å; Y133-E137 HydrophobicContact CD2-CG 4.15Å; Y133-E137 HydrophobicContact CE2-CG 3.83Å; Y133-E137 PolarHBondContact O-N 3.42Å; Y133-I149 HydrophobicContact CD1-CD1 3.72Å; Y133-I149 HydrophobicContact CD1-CG1 4.13Å; Y133-I149 HydrophobicContact CD1-CG2 4.15Å; Y133-I149 HydrophobicContact CD2-CD1 3.94Å; Y133-I149 HydrophobicContact CE1-CD1 3.6Å; Y133-I149 HydrophobicContact CE1-CG1 3.88Å; Y133-I149 HydrophobicContact CE2-CD1 3.81Å; Y133-I149 HydrophobicContact CG-CD1 3.9Å |
| 134 | I | 93.7 | Very high | 91.6 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.056 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -64.2 | -45.3 | 177.9 | -71.1 | 166.3 | 0 | 0 | 0 | 110.6 | W130 E131 W136 S138 I149 Y150 L153 | W130-I134 HydrophobicContact CB-CD1 4.46Å; W130-I134 WeakPolarHBondContact O-CB 3.42Å; W130-I134 WeakPolarHBondContact O-CD1 3.46Å; W130-I134 WeakPolarHBondContact O-CG1 3.43Å; W130-I134 PolarHBondContact O-N 3.41Å; E131-I134 PolarHBondContact O-N 3.32Å; I134-W136 VanDerWaalsContact C-N 3.33Å; I134-S138 WeakPolarHBondContact O-CB 3.36Å; I134-S138 PolarHBondContact O-N 3Å; I134-S138 PolarHBondContact O-OG 2.91Å; I134-I149 HydrophobicContact CD1-CG2 4.04Å; I134-I149 HydrophobicContact CG1-CB 4.12Å; I134-I149 HydrophobicContact CG1-CG2 3.53Å; I134-Y150 HydrophobicContact CD1-CD1 4.02Å; I134-Y150 HydrophobicContact CD1-CD2 4.22Å; I134-Y150 HydrophobicContact CD1-CE1 3.89Å; I134-Y150 HydrophobicContact CD1-CE2 4.1Å; I134-Y150 HydrophobicContact CD1-CG 4.18Å; I134-Y150 HydrophobicContact CG1-CE2 4.47Å; I134-Y150 HydrophobicContact CG2-CD2 4.26Å; I134-Y150 HydrophobicContact CG2-CE2 3.49Å; I134-Y150 VanDerWaalsContact CG2-CE2 3.49Å; I134-L153 HydrophobicContact CD1-CD2 4.02Å |
| 135 | S | 92.6 | Very high | 91.5 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 49% | 0.49 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.8 | -34.1 | 176.5 | 56.4 | 0 | 0 | 0 | 0 | 112.1 | E131 H132 G139 | E131-S135 VanDerWaalsContact O-CB 3.28Å; E131-S135 WeakPolarHBondContact O-CB 3.22Å; E131-S135 PolarHBondContact O-N 2.93Å; E131-S135 PolarHBondContact O-OG 3.46Å; H132-S135 PolarHBondContact O-OG 3.07Å; H132-S135 VanDerWaalsContact O-OG 3.06Å; S135-G139 PolarHBondContact O-N 3.22Å |
| 136 | W | 93 | Very high | 91.5 | Very high | 20 Ų | 20 | 40.4 Ų | 40.4 | 8% | 0.076 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.8 | -53.4 | 172.8 | -172.3 | 92.2 | 0 | 0 | 0 | 112.8 | Y105 E106 M109 R110 Y113 H132 Y133 I134 S138 G139 H140 | Y105-W136 HydrophobicContact CE1-CZ2 4.15Å; Y105-W136 AromaticContact CZ-NE1 3.75Å; Y105-W136 PolarHBondContact OH-NE1 3.46Å; E106-W136 HydrophobicContact CB-CH2 4.09Å; M109-W136 HydrophobicContact CB-CH2 3.8Å; M109-W136 HydrophobicContact CB-CZ2 3.36Å; M109-W136 HydrophobicContact CG-CZ2 3.92Å; R110-W136 HydrophobicContact CG-CH2 3.92Å; R110-W136 HydrophobicContact CG-CZ3 3.61Å; Y113-W136 HydrophobicContact CD2-CD2 4.35Å; Y113-W136 HydrophobicContact CD2-CE3 4.22Å; Y113-W136 HydrophobicContact CE2-CB 4.02Å; Y113-W136 AromaticContact CE2-CD1 3.99Å; Y113-W136 AromaticContact CE2-CD2 3.58Å; Y113-W136 HydrophobicContact CE2-CD2 3.58Å; Y113-W136 AromaticContact CE2-CE3 3.89Å; Y113-W136 HydrophobicContact CE2-CE3 3.89Å; Y113-W136 AromaticContact CE2-CG 3.62Å; Y113-W136 HydrophobicContact CE2-CG 3.62Å; Y113-W136 AromaticContact CZ-CG 3.88Å; Y113-W136 WeakPolarHBondContact OH-CB 3.31Å; H132-W136 VanDerWaalsContact O-CB 3.32Å; H132-W136 WeakPolarHBondContact O-CB 3.31Å; H132-W136 PolarHBondContact O-N 3.16Å; Y133-W136 HydrophobicContact CD2-CE3 4.41Å; Y133-W136 HydrophobicContact CE2-CE3 4.42Å; Y133-W136 PolarHBondContact O-N 2.85Å; I134-W136 VanDerWaalsContact C-N 3.33Å; W136-S138 VanDerWaalsContact C-N 3.33Å; W136-S138 PolarHBondContact O-N 3.13Å; W136-G139 PolarHBondContact O-N 3.15Å; W136-H140 AromaticContact CD1-CE1 3.99Å; W136-H140 AromaticContact CD2-CE1 3.86Å; W136-H140 AromaticContact CD2-ND1 3.95Å; W136-H140 AromaticContact CE2-CE1 3.41Å; W136-H140 VanDerWaalsContact CE2-CE1 3.41Å; W136-H140 AromaticContact CE2-ND1 3.94Å; W136-H140 AromaticContact CZ2-CE1 3.71Å; W136-H140 AromaticContact NE1-CE1 3.53Å; W136-H140 PolarHBondContact O-N 3.14Å; W136-H140 PolarHBondContact O-ND1 2.87Å |
| 137 | E | 92.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.1 | -38.2 | 176.7 | -79 | -71.5 | 168 | 0 | 0 | 111.7 | R110 Y133 H140 N141 R142 N145 I149 | R110-E137 VanDerWaalsContact CD-OE1 3.27Å; R110-E137 WeakPolarHBondContact CD-OE1 3.46Å; R110-E137 WeakPolarHBondContact CG-OE1 3.44Å; R110-E137 IonicContact NE-OE1 2.79Å; R110-E137 PolarHBondContact NE-OE1 3.34Å; Y133-E137 HydrophobicContact CD2-CG 4.15Å; Y133-E137 HydrophobicContact CE2-CG 3.83Å; Y133-E137 PolarHBondContact O-N 3.42Å; E137-H140 PolarHBondContact O-N 3.12Å; E137-N141 PolarHBondContact O-N 3.28Å; E137-R142 HydrophobicContact CB-CB 4.48Å; E137-R142 WeakPolarHBondContact O-CB 3.31Å; E137-R142 PolarHBondContact O-N 3.37Å; E137-R142 WeakPolarHBondContact OE2-CB 3.27Å; E137-R142 WeakPolarHBondContact OE2-CD 3.49Å; E137-N145 HydrophobicContact CB-CB 4.22Å; E137-N145 VanDerWaalsContact CD-ND2 3.31Å; E137-N145 HydrophobicContact CG-CB 3.91Å; E137-N145 PolarHBondContact OE1-ND2 3.3Å; E137-N145 WeakPolarHBondContact OE2-CB 3.21Å; E137-N145 PolarHBondContact OE2-ND2 3.15Å; E137-I149 HydrophobicContact CB-CD1 4.38Å; E137-I149 HydrophobicContact CG-CD1 3.87Å |
| 138 | S | 90.1 | Very high | 91.3 | Very high | 35 Ų | 35 | 43.9 Ų | 43.9 | 25% | 0.245 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 175.9 | -56.8 | 0 | 0 | 0 | 0 | 112.2 | I134 W136 H140 N141 | I134-S138 WeakPolarHBondContact O-CB 3.36Å; I134-S138 PolarHBondContact O-N 3Å; I134-S138 PolarHBondContact O-OG 2.91Å; W136-S138 VanDerWaalsContact C-N 3.33Å; W136-S138 PolarHBondContact O-N 3.13Å; S138-H140 PolarHBondContact O-N 3.37Å; S138-N141 WeakPolarHBondContact O-CA 3.49Å; S138-N141 PolarHBondContact O-N 3.24Å |
| 139 | G | 89.5 | Confident | 91.3 | Very high | 61 Ų | 61 | 41.7 Ų | 41.7 | 63% | 0.629 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -63.8 | -21.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | S135 W136 N141 | S135-G139 PolarHBondContact O-N 3.22Å; W136-G139 PolarHBondContact O-N 3.15Å; G139-N141 VanDerWaalsContact C-N 3.34Å |
| 140 | H | 87.2 | Confident | 91.2 | Very high | 58 Ų | 58 | 42.8 Ų | 42.8 | 27% | 0.269 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 11.4 | 170.6 | -63.2 | 82.1 | 0 | 0 | 0 | 113.2 | Y105 E106 W136 E137 S138 R142 | Y105-H140 AromaticContact CE1-NE2 3.55Å; E106-H140 IonicContact OE1-CD2 2.72Å; W136-H140 AromaticContact CD1-CE1 3.99Å; W136-H140 AromaticContact CD2-CE1 3.86Å; W136-H140 AromaticContact CD2-ND1 3.95Å; W136-H140 AromaticContact CE2-CE1 3.41Å; W136-H140 VanDerWaalsContact CE2-CE1 3.41Å; W136-H140 AromaticContact CE2-ND1 3.94Å; W136-H140 AromaticContact CZ2-CE1 3.71Å; W136-H140 AromaticContact NE1-CE1 3.53Å; W136-H140 PolarHBondContact O-N 3.14Å; W136-H140 PolarHBondContact O-ND1 2.87Å; E137-H140 PolarHBondContact O-N 3.12Å; S138-H140 PolarHBondContact O-N 3.37Å; H140-R142 VanDerWaalsContact C-N 3.26Å; H140-R142 HydrophobicContact CB-CG 4.27Å; H140-R142 VanDerWaalsContact CB-NH1 3.28Å; H140-R142 PolarHBondContact O-N 2.65Å |
| 141 | N | 85.6 | Confident | 91 | Very high | 140 Ų | 140 | 43.9 Ų | 43.9 | 75% | 0.749 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.5 | 27.6 | -175.4 | -59.7 | -65 | 0 | 0 | 0 | 114.7 | E137 S138 G139 L143 | E137-N141 PolarHBondContact O-N 3.28Å; S138-N141 WeakPolarHBondContact O-CA 3.49Å; S138-N141 PolarHBondContact O-N 3.24Å; G139-N141 VanDerWaalsContact C-N 3.34Å; N141-L143 PolarHBondContact O-N 2.97Å |
| 142 | R | 88.1 | Confident | 90.9 | Very high | 70 Ų | 70 | 41.6 Ų | 41.6 | 26% | 0.264 | 23% | 0.232 | S | C | . | . | trans | -95.1 | 62.5 | -177.3 | -68.2 | 176.6 | 175.9 | 119.4 | 9.5 | 111.7 | E106 E137 H140 V144 N145 A146 | E106-R142 IonicContact OE1-CZ 3.77Å; E106-R142 IonicContact OE1-NH1 2.67Å; E106-R142 PolarHBondContact OE1-NH1 2.7Å; E106-R142 IonicContact OE1-NH2 2.71Å; E106-R142 PolarHBondContact OE1-NH2 3.35Å; E106-R142 IonicContact OE2-CZ 2.89Å; E106-R142 VanDerWaalsContact OE2-CZ 3.28Å; E106-R142 IonicContact OE2-NH1 3.12Å; E106-R142 PolarHBondContact OE2-NH1 2.91Å; E106-R142 IonicContact OE2-NH2 2.84Å; E106-R142 PolarHBondContact OE2-NH2 3.31Å; E137-R142 HydrophobicContact CB-CB 4.48Å; E137-R142 WeakPolarHBondContact O-CB 3.31Å; E137-R142 PolarHBondContact O-N 3.37Å; E137-R142 WeakPolarHBondContact OE2-CB 3.27Å; E137-R142 WeakPolarHBondContact OE2-CD 3.49Å; H140-R142 VanDerWaalsContact C-N 3.26Å; H140-R142 HydrophobicContact CB-CG 4.27Å; H140-R142 VanDerWaalsContact CB-NH1 3.28Å; H140-R142 PolarHBondContact O-N 2.65Å; R142-V144 VanDerWaalsContact C-N 3.26Å; R142-V144 PolarHBondContact O-N 3.31Å; R142-N145 HydrophobicContact CB-CB 4.1Å; R142-N145 WeakPolarHBondContact O-CA 3.37Å; R142-N145 WeakPolarHBondContact O-CB 3.31Å; R142-N145 PolarHBondContact O-N 2.68Å; R142-A146 PolarHBondContact O-N 3.39Å | ||
| 143 | L | 88.3 | Confident | 90.9 | Very high | 30 Ų | 30 | 39.9 Ų | 39.9 | 16% | 0.157 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -57.5 | -35.5 | -173.7 | -58.9 | 176.8 | 0 | 0 | 0 | 113.1 | N141 N145 A146 A147 L171 N175 D179 | N141-L143 PolarHBondContact O-N 2.97Å; L143-N145 PolarHBondContact O-N 3.1Å; L143-A146 PolarHBondContact O-N 2.86Å; L143-A147 WeakPolarHBondContact O-CB 3.19Å; L143-A147 PolarHBondContact O-N 2.93Å; L143-L171 HydrophobicContact CD2-CD1 4.2Å; L143-N175 HydrophobicContact CD1-CB 4.07Å; L143-N175 VanDerWaalsContact CD1-OD1 3.32Å; L143-N175 WeakPolarHBondContact CD1-OD1 3.47Å; L143-D179 WeakPolarHBondContact CB-O 3.3Å; L143-D179 HydrophobicContact CD1-CB 4.03Å |
| 144 | V | 90.3 | Very high | 90.8 | Very high | 46 Ų | 46 | 39.7 Ų | 39.7 | 28% | 0.279 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -62 | -39.1 | 172.9 | -173 | 0 | 0 | 0 | 0 | 112.5 | R142 N148 D179 I180 | R142-V144 VanDerWaalsContact C-N 3.26Å; R142-V144 PolarHBondContact O-N 3.31Å; V144-N148 VanDerWaalsContact O-CG 3.27Å; V144-N148 PolarHBondContact O-N 3.44Å; V144-N148 VanDerWaalsContact O-N 3.08Å; V144-N148 PolarHBondContact O-ND2 3.33Å; V144-D179 WeakPolarHBondContact CG2-O 3.15Å; V144-I180 WeakPolarHBondContact CA-O 3.48Å |
| 145 | N | 90.6 | Very high | 90.7 | Very high | 58 Ų | 58 | 41.7 Ų | 41.7 | 31% | 0.31 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -69.7 | -46 | 176.6 | -69.4 | -7.1 | 0 | 0 | 0 | 110.6 | E137 R142 L143 A147 N148 I149 | E137-N145 HydrophobicContact CB-CB 4.22Å; E137-N145 VanDerWaalsContact CD-ND2 3.31Å; E137-N145 HydrophobicContact CG-CB 3.91Å; E137-N145 PolarHBondContact OE1-ND2 3.3Å; E137-N145 WeakPolarHBondContact OE2-CB 3.21Å; E137-N145 PolarHBondContact OE2-ND2 3.15Å; R142-N145 HydrophobicContact CB-CB 4.1Å; R142-N145 WeakPolarHBondContact O-CA 3.37Å; R142-N145 WeakPolarHBondContact O-CB 3.31Å; R142-N145 PolarHBondContact O-N 2.68Å; L143-N145 PolarHBondContact O-N 3.1Å; N145-A147 VanDerWaalsContact C-N 3.28Å; N145-A147 PolarHBondContact O-N 2.8Å; N145-N148 PolarHBondContact O-N 3.14Å; N145-N148 VanDerWaalsContact O-N 3.14Å; N145-I149 VanDerWaalsContact O-CG1 3.29Å; N145-I149 WeakPolarHBondContact O-CG1 3.44Å; N145-I149 PolarHBondContact O-N 3.18Å |
| 146 | A | 91.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -56.3 | -42.9 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | R142 L143 I149 Y150 L171 | R142-A146 PolarHBondContact O-N 3.39Å; L143-A146 PolarHBondContact O-N 2.86Å; A146-I149 PolarHBondContact O-N 3.43Å; A146-Y150 VanDerWaalsContact O-CD2 3.29Å; A146-Y150 WeakPolarHBondContact O-CD2 3.35Å; A146-Y150 PolarHBondContact O-N 3.36Å; A146-L171 HydrophobicContact CB-CD2 4.49Å |
| 147 | A | 90.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 39 Ų | 39 | 8% | 0.083 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | L143 N145 Y150 A151 I180 | L143-A147 WeakPolarHBondContact O-CB 3.19Å; L143-A147 PolarHBondContact O-N 2.93Å; N145-A147 VanDerWaalsContact C-N 3.28Å; N145-A147 PolarHBondContact O-N 2.8Å; A147-Y150 PolarHBondContact O-N 3.23Å; A147-A151 WeakPolarHBondContact O-CB 3.22Å; A147-A151 PolarHBondContact O-N 2.81Å; A147-I180 HydrophobicContact CB-CG2 3.57Å; A147-I180 WeakPolarHBondContact CB-O 3.46Å |
| 148 | N | 91.7 | Very high | 90.6 | Very high | 71 Ų | 71 | 39 Ų | 39 | 38% | 0.38 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -66.3 | -36 | 174.7 | -73 | -35.2 | 0 | 0 | 0 | 112.2 | V144 N145 A151 R152 | V144-N148 VanDerWaalsContact O-CG 3.27Å; V144-N148 PolarHBondContact O-N 3.44Å; V144-N148 VanDerWaalsContact O-N 3.08Å; V144-N148 PolarHBondContact O-ND2 3.33Å; N145-N148 PolarHBondContact O-N 3.14Å; N145-N148 VanDerWaalsContact O-N 3.14Å; N148-A151 PolarHBondContact O-N 3.14Å; N148-R152 WeakPolarHBondContact O-CG 3.35Å; N148-R152 PolarHBondContact O-N 3.4Å; N148-R152 VanDerWaalsContact O-N 3.14Å |
| 149 | I | 92.6 | Very high | 90.7 | Very high | 5 Ų | 5 | 40.8 Ų | 40.8 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -68.9 | -43.7 | 174.8 | -62.9 | 159.8 | 0 | 0 | 0 | 110.5 | W130 Y133 I134 E137 N145 A146 A151 R152 L153 | W130-I149 HydrophobicContact CE3-CG2 3.74Å; W130-I149 HydrophobicContact CZ3-CG2 4.03Å; Y133-I149 HydrophobicContact CD1-CD1 3.72Å; Y133-I149 HydrophobicContact CD1-CG1 4.13Å; Y133-I149 HydrophobicContact CD1-CG2 4.15Å; Y133-I149 HydrophobicContact CD2-CD1 3.94Å; Y133-I149 HydrophobicContact CE1-CD1 3.6Å; Y133-I149 HydrophobicContact CE1-CG1 3.88Å; Y133-I149 HydrophobicContact CE2-CD1 3.81Å; Y133-I149 HydrophobicContact CG-CD1 3.9Å; I134-I149 HydrophobicContact CD1-CG2 4.04Å; I134-I149 HydrophobicContact CG1-CB 4.12Å; I134-I149 HydrophobicContact CG1-CG2 3.53Å; E137-I149 HydrophobicContact CB-CD1 4.38Å; E137-I149 HydrophobicContact CG-CD1 3.87Å; N145-I149 VanDerWaalsContact O-CG1 3.29Å; N145-I149 WeakPolarHBondContact O-CG1 3.44Å; N145-I149 PolarHBondContact O-N 3.18Å; A146-I149 PolarHBondContact O-N 3.43Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-A151 PolarHBondContact O-N 3.48Å; I149-R152 WeakPolarHBondContact O-CB 3.24Å; I149-R152 PolarHBondContact O-N 3.25Å; I149-L153 WeakPolarHBondContact O-CB 3.31Å; I149-L153 PolarHBondContact O-N 3.03Å |
| 150 | Y | 91.9 | Very high | 90.8 | Very high | 25 Ų | 25 | 40.6 Ų | 40.6 | 10% | 0.098 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -58.8 | -42.3 | 171.2 | -87.2 | -68.5 | 0 | 0 | 0 | 112.4 | I134 A146 A147 R152 L153 L154 N164 S167 F168 L171 | I134-Y150 HydrophobicContact CD1-CD1 4.02Å; I134-Y150 HydrophobicContact CD1-CD2 4.22Å; I134-Y150 HydrophobicContact CD1-CE1 3.89Å; I134-Y150 HydrophobicContact CD1-CE2 4.1Å; I134-Y150 HydrophobicContact CD1-CG 4.18Å; I134-Y150 HydrophobicContact CG1-CE2 4.47Å; I134-Y150 HydrophobicContact CG2-CD2 4.26Å; I134-Y150 HydrophobicContact CG2-CE2 3.49Å; I134-Y150 VanDerWaalsContact CG2-CE2 3.49Å; A146-Y150 VanDerWaalsContact O-CD2 3.29Å; A146-Y150 WeakPolarHBondContact O-CD2 3.35Å; A146-Y150 PolarHBondContact O-N 3.36Å; A147-Y150 PolarHBondContact O-N 3.23Å; Y150-R152 VanDerWaalsContact C-N 3.26Å; Y150-R152 PolarHBondContact O-N 3.14Å; Y150-L153 HydrophobicContact CD1-CD2 4.32Å; Y150-L153 PolarHBondContact O-N 2.8Å; Y150-L154 WeakPolarHBondContact O-CB 3.47Å; Y150-L154 VanDerWaalsContact O-CG 3.31Å; Y150-L154 WeakPolarHBondContact O-CG 3.46Å; Y150-L154 PolarHBondContact O-N 3.44Å; Y150-N164 WeakPolarHBondContact CE1-O 3.5Å; Y150-S167 VanDerWaalsContact OH-CB 3.25Å; Y150-S167 WeakPolarHBondContact OH-CB 3.5Å; Y150-F168 HydrophobicContact CD1-CB 3.79Å; Y150-F168 HydrophobicContact CD1-CD2 4.39Å; Y150-F168 HydrophobicContact CD2-CD2 4.3Å; Y150-F168 HydrophobicContact CE1-CB 4.14Å; Y150-F168 HydrophobicContact CG-CB 4.13Å; Y150-F168 AromaticContact CG-CD2 3.87Å; Y150-F168 HydrophobicContact CG-CD2 3.87Å; Y150-F168 HydrophobicContact CG-CG 4.47Å; Y150-L171 HydrophobicContact CD2-CD2 3.77Å; Y150-L171 HydrophobicContact CE2-CD2 3.88Å |
| 151 | A | 90.1 | Very high | 91 | Very high | 26 Ų | 26 | 39.8 Ų | 39.8 | 22% | 0.215 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.8 | -33.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A147 N148 I149 | A147-A151 WeakPolarHBondContact O-CB 3.22Å; A147-A151 PolarHBondContact O-N 2.81Å; N148-A151 PolarHBondContact O-N 3.14Å; I149-A151 VanDerWaalsContact C-N 3.34Å; I149-A151 PolarHBondContact O-N 3.48Å |
| 152 | R | 92.7 | Very high | 91.3 | Very high | 89 Ų | 89 | 37.7 Ų | 37.7 | 34% | 0.336 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -68.9 | -51.6 | 170.8 | -68.1 | 162.5 | 67.1 | -176.8 | 5.5 | 111.1 | E114 W130 N148 I149 Y150 L154 S155 | E114-R152 IonicContact OE1-CZ 2.81Å; E114-R152 IonicContact OE1-NH1 3.16Å; E114-R152 PolarHBondContact OE1-NH1 2.96Å; E114-R152 IonicContact OE2-CZ 3.78Å; E114-R152 VanDerWaalsContact OE2-CZ 3.23Å; E114-R152 IonicContact OE2-NH1 2.7Å; E114-R152 PolarHBondContact OE2-NH1 3.43Å; E114-R152 IonicContact OE2-NH2 2.9Å; E114-R152 PolarHBondContact OE2-NH2 3.18Å; W130-R152 HydrophobicContact CH2-CB 4.14Å; W130-R152 HydrophobicContact CZ3-CB 4Å; N148-R152 WeakPolarHBondContact O-CG 3.35Å; N148-R152 PolarHBondContact O-N 3.4Å; N148-R152 VanDerWaalsContact O-N 3.14Å; I149-R152 WeakPolarHBondContact O-CB 3.24Å; I149-R152 PolarHBondContact O-N 3.25Å; Y150-R152 VanDerWaalsContact C-N 3.26Å; Y150-R152 PolarHBondContact O-N 3.14Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.45Å; R152-S155 WeakPolarHBondContact O-CB 3.41Å; R152-S155 PolarHBondContact O-N 2.72Å; R152-S155 PolarHBondContact O-OG 3Å |
| 153 | L | 92.8 | Very high | 91.6 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -54.9 | -44.5 | 179.8 | 175.8 | 55.4 | 0 | 0 | 0 | 112.5 | W130 I134 I149 Y150 S155 I156 T158 N164 | W130-L153 HydrophobicContact CB-CD1 4.2Å; W130-L153 HydrophobicContact CB-CD2 3.95Å; W130-L153 HydrophobicContact CD2-CB 4.23Å; W130-L153 HydrophobicContact CD2-CD1 3.88Å; W130-L153 HydrophobicContact CD2-CG 4.47Å; W130-L153 HydrophobicContact CE3-CB 3.99Å; W130-L153 HydrophobicContact CE3-CD1 4.5Å; W130-L153 HydrophobicContact CG-CD1 3.71Å; W130-L153 HydrophobicContact CG-CD2 4.31Å; W130-L153 HydrophobicContact CG-CG 4.45Å; W130-L153 HydrophobicContact CZ3-CB 4.34Å; I134-L153 HydrophobicContact CD1-CD2 4.02Å; I149-L153 WeakPolarHBondContact O-CB 3.31Å; I149-L153 PolarHBondContact O-N 3.03Å; Y150-L153 HydrophobicContact CD1-CD2 4.32Å; Y150-L153 PolarHBondContact O-N 2.8Å; L153-S155 PolarHBondContact O-N 3.26Å; L153-S155 VanDerWaalsContact O-N 3.1Å; L153-I156 PolarHBondContact O-N 3.2Å; L153-T158 HydrophobicContact CD1-CG2 3.85Å; L153-N164 HydrophobicContact CD2-CB 3.78Å; L153-N164 HydrophobicContact CG-CB 4.14Å |
| 154 | L | 92.4 | Very high | 91.7 | Very high | 5 Ų | 5 | 38.1 Ų | 38.1 | 3% | 0.026 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -12.7 | 179 | -67.7 | 176.4 | 0 | 0 | 0 | 114.2 | Y150 R152 W165 F168 R244 Y248 T251 | Y150-L154 WeakPolarHBondContact O-CB 3.47Å; Y150-L154 VanDerWaalsContact O-CG 3.31Å; Y150-L154 WeakPolarHBondContact O-CG 3.46Å; Y150-L154 PolarHBondContact O-N 3.44Å; R152-L154 VanDerWaalsContact C-N 3.33Å; R152-L154 PolarHBondContact O-N 3.45Å; L154-W165 HydrophobicContact CD1-CE3 3.86Å; L154-W165 HydrophobicContact CD1-CZ3 3.97Å; L154-W165 HydrophobicContact CD2-CB 4.27Å; L154-W165 HydrophobicContact CD2-CE3 3.89Å; L154-F168 HydrophobicContact CD1-CB 4.33Å; L154-F168 HydrophobicContact CD1-CD1 3.9Å; L154-F168 HydrophobicContact CD1-CE1 4.35Å; L154-F168 HydrophobicContact CD1-CG 3.98Å; L154-R244 HydrophobicContact CD1-CB 4.18Å; L154-Y248 HydrophobicContact CD2-CD2 4.06Å; L154-T251 WeakPolarHBondContact O-CB 3.27Å; L154-T251 PolarHBondContact O-OG1 3.16Å |
| 155 | S | 91.5 | Very high | 91.8 | Very high | 54 Ų | 54 | 37.2 Ų | 37.2 | 38% | 0.378 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.6 | -4.2 | 172.9 | 76.1 | 0 | 0 | 0 | 0 | 114.1 | R152 L153 T251 | R152-S155 WeakPolarHBondContact O-CB 3.41Å; R152-S155 PolarHBondContact O-N 2.72Å; R152-S155 PolarHBondContact O-OG 3Å; L153-S155 PolarHBondContact O-N 3.26Å; L153-S155 VanDerWaalsContact O-N 3.1Å; S155-T251 WeakPolarHBondContact CA-OG1 3.06Å |
| 156 | I | 91.7 | Very high | 91.9 | Very high | 22 Ų | 22 | 38.2 Ų | 38.2 | 11% | 0.113 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -116 | 132.5 | -169.7 | -68.2 | 170.5 | 0 | 0 | 0 | 110 | G121 L122 W130 L153 T158 T251 | G121-I156 VanDerWaalsContact O-CG2 3.3Å; G121-I156 WeakPolarHBondContact O-CG2 3.49Å; L122-I156 HydrophobicContact CD2-CG1 4.44Å; W130-I156 HydrophobicContact CH2-CD1 3.63Å; W130-I156 HydrophobicContact CZ2-CD1 3.44Å; W130-I156 VanDerWaalsContact CZ2-CD1 3.44Å; L153-I156 PolarHBondContact O-N 3.2Å; I156-T158 HydrophobicContact CG2-CG2 3.95Å; I156-T158 PolarHBondContact O-N 3.42Å; I156-T158 VanDerWaalsContact O-N 3.14Å; I156-T251 VanDerWaalsContact C-CG2 3.44Å; I156-T251 VanDerWaalsContact O-CG2 3.26Å; I156-T251 WeakPolarHBondContact O-CG2 3.42Å |
| 157 | P | 91.9 | Very high | 91.9 | Very high | 10 Ų | 10 | 40 Ų | 40 | 7% | 0.065 | 20% | 0.204 | C | C | . | . | trans | -76.4 | 101.8 | -179.9 | 30.6 | -33.9 | 0 | 0 | 0 | 111.3 | F124 I255 | F124-P157 VanDerWaalsContact CD2-O 3.3Å; F124-P157 WeakPolarHBondContact CD2-O 3.43Å; P157-I255 HydrophobicContact CB-CD1 4.41Å; P157-I255 HydrophobicContact CB-CG1 3.46Å; P157-I255 VanDerWaalsContact CB-CG1 3.46Å | ||
| 158 | T | 92.7 | Very high | 92 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | trans | -115 | 168.6 | 175.4 | 74.1 | 0 | 0 | 0 | 0 | 112.8 | F124 D127 L153 I156 N164 | F124-T158 CarbonylContact O-C 3.48Å; F124-T158 VanDerWaalsContact O-CA 3.31Å; F124-T158 WeakPolarHBondContact O-CA 2.88Å; D127-T158 WeakPolarHBondContact OD1-CB 3.49Å; D127-T158 PolarHBondContact OD1-OG1 3.29Å; L153-T158 HydrophobicContact CD1-CG2 3.85Å; I156-T158 HydrophobicContact CG2-CG2 3.95Å; I156-T158 PolarHBondContact O-N 3.42Å; I156-T158 VanDerWaalsContact O-N 3.14Å; T158-N164 PolarHBondContact OG1-ND2 2.87Å; T158-N164 VanDerWaalsContact OG1-ND2 3.09Å | ||
| 159 | Q | 91.6 | Very high | 92 | Very high | 72 Ų | 72 | 37.5 Ų | 37.5 | 34% | 0.336 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -40.5 | -176.6 | -174.7 | 178.4 | -16.8 | 0 | 0 | 111.8 | F124 D127 Y161 | F124-Q159 HydrophobicContact CD1-CB 3.99Å; F124-Q159 HydrophobicContact CE1-CB 3.69Å; F124-Q159 HydrophobicContact CE1-CG 4.04Å; F124-Q159 HydrophobicContact CZ-CB 4.3Å; F124-Q159 PolarHBondContact O-N 2.82Å; D127-Q159 PolarHBondContact OD2-N 3.22Å; Q159-Y161 VanDerWaalsContact C-N 3.33Å; Q159-Y161 PolarHBondContact O-N 2.89Å |
| 160 | L | 92 | Very high | 92 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 30% | 0.304 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 26.2 | -177.2 | -52.8 | -177.4 | 0 | 0 | 0 | 113.1 | D127 F162 Q163 N164 | D127-L160 HydrophobicContact CB-CB 4.15Å; D127-L160 HydrophobicContact CB-CD1 4.09Å; D127-L160 HydrophobicContact CB-CG 4.16Å; D127-L160 WeakPolarHBondContact OD1-CB 3.17Å; D127-L160 PolarHBondContact OD1-N 3.11Å; D127-L160 VanDerWaalsContact OD1-N 3.17Å; D127-L160 PolarHBondContact OD2-N 2.92Å; L160-F162 PolarHBondContact O-N 2.88Å; L160-Q163 HydrophobicContact CB-CB 4.32Å; L160-Q163 HydrophobicContact CB-CG 4.37Å; L160-Q163 WeakPolarHBondContact O-CA 3.23Å; L160-Q163 WeakPolarHBondContact O-CB 3.29Å; L160-Q163 PolarHBondContact O-N 3.01Å; L160-N164 PolarHBondContact O-N 2.8Å; L160-N164 PolarHBondContact O-ND2 3.31Å |
| 161 | Y | 90.9 | Very high | 91.9 | Very high | 41 Ų | 41 | 42 Ų | 42 | 16% | 0.161 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -42.4 | -39.9 | -178.7 | 69.1 | -84 | 0 | 0 | 0 | 115.2 | Q159 N164 W165 Y248 Y252 I255 W259 | Q159-Y161 VanDerWaalsContact C-N 3.33Å; Q159-Y161 PolarHBondContact O-N 2.89Å; Y161-N164 PolarHBondContact O-N 3.07Å; Y161-W165 WeakPolarHBondContact O-CB 3.33Å; Y161-W165 PolarHBondContact O-N 2.96Å; Y161-Y248 AromaticContact CD2-CE2 3.78Å; Y161-Y248 HydrophobicContact CD2-CE2 3.78Å; Y161-Y248 AromaticContact CD2-CZ 3.99Å; Y161-Y248 WeakPolarHBondContact CD2-OH 3.28Å; Y161-Y252 HydrophobicContact CD2-CD2 4.34Å; Y161-Y252 AromaticContact CE2-CD2 3.62Å; Y161-Y252 HydrophobicContact CE2-CD2 3.62Å; Y161-Y252 HydrophobicContact CE2-CE2 4.03Å; Y161-I255 HydrophobicContact CD1-CD1 3.75Å; Y161-I255 HydrophobicContact CD1-CG2 4.11Å; Y161-I255 HydrophobicContact CD2-CD1 4.07Å; Y161-I255 HydrophobicContact CE1-CG2 4.11Å; Y161-I255 HydrophobicContact CG-CD1 3.46Å; Y161-I255 VanDerWaalsContact CG-CD1 3.46Å; Y161-W259 HydrophobicContact CE1-CZ3 4.26Å |
| 162 | F | 92 | Very high | 91.9 | Very high | 96 Ų | 96 | 40.8 Ų | 40.8 | 42% | 0.421 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70 | -37.7 | 178.8 | 72.4 | -85.6 | 0 | 0 | 0 | 112.7 | L160 W165 D166 | L160-F162 PolarHBondContact O-N 2.88Å; F162-W165 PolarHBondContact O-N 3.22Å; F162-D166 WeakPolarHBondContact O-CB 3.44Å; F162-D166 VanDerWaalsContact O-CG 3.29Å; F162-D166 PolarHBondContact O-N 2.87Å |
| 163 | Q | 93.1 | Very high | 91.7 | Very high | 87 Ų | 87 | 42.6 Ų | 42.6 | 41% | 0.407 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -71.1 | -35 | 175.8 | -53.6 | -173.8 | 15.5 | 0 | 0 | 111.1 | L160 W165 D166 S167 | L160-Q163 HydrophobicContact CB-CB 4.32Å; L160-Q163 HydrophobicContact CB-CG 4.37Å; L160-Q163 WeakPolarHBondContact O-CA 3.23Å; L160-Q163 WeakPolarHBondContact O-CB 3.29Å; L160-Q163 PolarHBondContact O-N 3.01Å; Q163-W165 VanDerWaalsContact C-N 3.34Å; Q163-D166 PolarHBondContact O-N 3.32Å; Q163-S167 VanDerWaalsContact O-CB 3.24Å; Q163-S167 WeakPolarHBondContact O-CB 3.49Å; Q163-S167 PolarHBondContact O-N 3.07Å; Q163-S167 PolarHBondContact O-OG 3.14Å |
| 164 | N | 91.6 | Very high | 91.5 | Very high | 21 Ų | 21 | 49.8 Ų | 49.8 | 11% | 0.112 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.1 | -40.1 | 174.4 | -59.7 | -23.5 | 0 | 0 | 0 | 110.9 | D127 Y150 L153 T158 L160 Y161 F168 | D127-N164 PolarHBondContact OD1-ND2 3.07Å; Y150-N164 WeakPolarHBondContact CE1-O 3.5Å; L153-N164 HydrophobicContact CD2-CB 3.78Å; L153-N164 HydrophobicContact CG-CB 4.14Å; T158-N164 PolarHBondContact OG1-ND2 2.87Å; T158-N164 VanDerWaalsContact OG1-ND2 3.09Å; L160-N164 PolarHBondContact O-N 2.8Å; L160-N164 PolarHBondContact O-ND2 3.31Å; Y161-N164 PolarHBondContact O-N 3.07Å; N164-F168 WeakPolarHBondContact O-CB 3.39Å; N164-F168 PolarHBondContact O-N 3.23Å |
| 165 | W | 92.6 | Very high | 91.2 | Very high | 28 Ų | 28 | 51.4 Ų | 51.4 | 11% | 0.106 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -49.8 | 172.4 | 177.4 | -108.2 | 0 | 0 | 0 | 112.6 | L154 Y161 F162 Q163 S167 F168 N169 I241 R244 E245 Y248 | L154-W165 HydrophobicContact CD1-CE3 3.86Å; L154-W165 HydrophobicContact CD1-CZ3 3.97Å; L154-W165 HydrophobicContact CD2-CB 4.27Å; L154-W165 HydrophobicContact CD2-CE3 3.89Å; Y161-W165 WeakPolarHBondContact O-CB 3.33Å; Y161-W165 PolarHBondContact O-N 2.96Å; F162-W165 PolarHBondContact O-N 3.22Å; Q163-W165 VanDerWaalsContact C-N 3.34Å; W165-S167 VanDerWaalsContact C-N 3.25Å; W165-S167 PolarHBondContact O-N 3.37Å; W165-F168 HydrophobicContact CE3-CD1 4.3Å; W165-F168 AromaticContact CZ3-CD1 3.96Å; W165-F168 HydrophobicContact CZ3-CD1 3.96Å; W165-F168 HydrophobicContact CZ3-CE1 4.31Å; W165-F168 PolarHBondContact O-N 3.02Å; W165-N169 PolarHBondContact NE1-ND2 3.3Å; W165-N169 PolarHBondContact O-N 3.3Å; W165-N169 PolarHBondContact O-ND2 3.33Å; W165-N169 VanDerWaalsContact O-ND2 3.11Å; W165-I241 HydrophobicContact CH2-CG2 4Å; W165-I241 HydrophobicContact CZ2-CG2 4.02Å; W165-R244 HydrophobicContact CZ3-CB 4.15Å; W165-E245 VanDerWaalsContact CH2-CA 3.4Å; W165-E245 HydrophobicContact CH2-CB 3.51Å; W165-E245 HydrophobicContact CH2-CG 3.88Å; W165-E245 HydrophobicContact CZ2-CB 3.81Å; W165-E245 HydrophobicContact CZ2-CG 3.66Å; W165-E245 HydrophobicContact CZ3-CB 4.36Å; W165-Y248 HydrophobicContact CB-CD2 3.9Å; W165-Y248 HydrophobicContact CB-CE1 4.45Å; W165-Y248 HydrophobicContact CB-CE2 3.53Å; W165-Y248 HydrophobicContact CB-CG 4.49Å; W165-Y248 AromaticContact CD2-CD1 3.96Å; W165-Y248 HydrophobicContact CD2-CD1 3.96Å; W165-Y248 HydrophobicContact CD2-CD2 4.22Å; W165-Y248 HydrophobicContact CD2-CE1 4.25Å; W165-Y248 HydrophobicContact CD2-CE2 4.48Å; W165-Y248 AromaticContact CD2-CG 3.94Å; W165-Y248 HydrophobicContact CD2-CG 3.94Å; W165-Y248 HydrophobicContact CE3-CD1 4.28Å; W165-Y248 HydrophobicContact CE3-CD2 4.2Å; W165-Y248 AromaticContact CE3-CG 3.87Å; W165-Y248 HydrophobicContact CE3-CG 3.87Å; W165-Y248 HydrophobicContact CG-CD1 4.16Å; W165-Y248 HydrophobicContact CG-CD2 4.11Å; W165-Y248 AromaticContact CG-CE1 3.98Å; W165-Y248 HydrophobicContact CG-CE1 3.98Å; W165-Y248 AromaticContact CG-CE2 3.92Å; W165-Y248 HydrophobicContact CG-CE2 3.92Å; W165-Y248 HydrophobicContact CG-CG 4.22Å; W165-Y248 AromaticContact CG-CZ 3.85Å |
| 166 | D | 93.2 | Very high | 90.8 | Very high | 78 Ų | 78 | 54.5 Ų | 54.5 | 42% | 0.417 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -61.4 | -33.7 | 177.9 | -71.4 | -14.6 | 0 | 0 | 0 | 112.4 | F162 Q163 K170 | F162-D166 WeakPolarHBondContact O-CB 3.44Å; F162-D166 VanDerWaalsContact O-CG 3.29Å; F162-D166 PolarHBondContact O-N 2.87Å; Q163-D166 PolarHBondContact O-N 3.32Å; D166-K170 VanDerWaalsContact O-CG 3.31Å; D166-K170 WeakPolarHBondContact O-CG 3.31Å; D166-K170 PolarHBondContact O-N 2.89Å; D166-K170 VanDerWaalsContact O-N 3.13Å |
| 167 | S | 91 | Very high | 90.3 | Very high | 39 Ų | 39 | 53.4 Ų | 53.4 | 27% | 0.273 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -77.3 | -34.1 | 178.1 | -54.9 | 0 | 0 | 0 | 0 | 112.6 | Y150 Q163 W165 L171 | Y150-S167 VanDerWaalsContact OH-CB 3.25Å; Y150-S167 WeakPolarHBondContact OH-CB 3.5Å; Q163-S167 VanDerWaalsContact O-CB 3.24Å; Q163-S167 WeakPolarHBondContact O-CB 3.49Å; Q163-S167 PolarHBondContact O-N 3.07Å; Q163-S167 PolarHBondContact O-OG 3.14Å; W165-S167 VanDerWaalsContact C-N 3.25Å; W165-S167 PolarHBondContact O-N 3.37Å; S167-L171 PolarHBondContact O-N 2.93Å; S167-L171 VanDerWaalsContact O-N 3.07Å |
| 168 | F | 92.1 | Very high | 89.7 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.018 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.9 | -44.1 | 167.7 | 175.3 | -107.1 | 0 | 0 | 0 | 111.8 | Y150 L154 N164 W165 K170 L171 V172 I240 R244 | Y150-F168 HydrophobicContact CD1-CB 3.79Å; Y150-F168 HydrophobicContact CD1-CD2 4.39Å; Y150-F168 HydrophobicContact CD2-CD2 4.3Å; Y150-F168 HydrophobicContact CE1-CB 4.14Å; Y150-F168 HydrophobicContact CG-CB 4.13Å; Y150-F168 AromaticContact CG-CD2 3.87Å; Y150-F168 HydrophobicContact CG-CD2 3.87Å; Y150-F168 HydrophobicContact CG-CG 4.47Å; L154-F168 HydrophobicContact CD1-CB 4.33Å; L154-F168 HydrophobicContact CD1-CD1 3.9Å; L154-F168 HydrophobicContact CD1-CE1 4.35Å; L154-F168 HydrophobicContact CD1-CG 3.98Å; N164-F168 WeakPolarHBondContact O-CB 3.39Å; N164-F168 PolarHBondContact O-N 3.23Å; W165-F168 HydrophobicContact CE3-CD1 4.3Å; W165-F168 AromaticContact CZ3-CD1 3.96Å; W165-F168 HydrophobicContact CZ3-CD1 3.96Å; W165-F168 HydrophobicContact CZ3-CE1 4.31Å; W165-F168 PolarHBondContact O-N 3.02Å; F168-K170 PolarHBondContact O-N 2.9Å; F168-L171 WeakPolarHBondContact O-CB 3.46Å; F168-L171 PolarHBondContact O-N 3.47Å; F168-V172 HydrophobicContact CD2-CG2 4.43Å; F168-V172 HydrophobicContact CE1-CG2 4.1Å; F168-V172 HydrophobicContact CE2-CG2 3.98Å; F168-V172 HydrophobicContact CZ-CG2 3.8Å; F168-V172 WeakPolarHBondContact O-CG2 3.43Å; F168-V172 PolarHBondContact O-N 2.97Å; F168-V172 VanDerWaalsContact O-N 3.1Å; F168-I240 HydrophobicContact CE1-CG2 4.29Å; F168-I240 HydrophobicContact CZ-CG2 3.68Å; F168-R244 HydrophobicContact CE1-CB 3.72Å; F168-R244 HydrophobicContact CE1-CG 4.04Å; F168-R244 HydrophobicContact CZ-CB 4.06Å; F168-R244 HydrophobicContact CZ-CG 3.83Å |
| 169 | N | 92.1 | Very high | 89.2 | Confident | 23 Ų | 23 | 59.5 Ų | 59.5 | 12% | 0.123 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.4 | -45 | 178.1 | -67.7 | -38.8 | 0 | 0 | 0 | 111.7 | W165 L171 V172 E173 | W165-N169 PolarHBondContact NE1-ND2 3.3Å; W165-N169 PolarHBondContact O-N 3.3Å; W165-N169 PolarHBondContact O-ND2 3.33Å; W165-N169 VanDerWaalsContact O-ND2 3.11Å; N169-L171 PolarHBondContact O-N 3.11Å; N169-V172 PolarHBondContact O-N 3.08Å; N169-V172 VanDerWaalsContact O-N 3.11Å; N169-E173 WeakPolarHBondContact O-CG 3.4Å; N169-E173 PolarHBondContact O-N 3.28Å |
| 170 | K | 91.8 | Very high | 88.8 | Confident | 107 Ų | 107 | 56.2 Ų | 56.2 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -57.1 | -45.3 | 173.7 | -69.5 | 164.5 | -165 | 163.1 | 0 | 112.2 | D166 F168 V172 E173 E174 | D166-K170 VanDerWaalsContact O-CG 3.31Å; D166-K170 WeakPolarHBondContact O-CG 3.31Å; D166-K170 PolarHBondContact O-N 2.89Å; D166-K170 VanDerWaalsContact O-N 3.13Å; F168-K170 PolarHBondContact O-N 2.9Å; K170-V172 PolarHBondContact O-N 3.37Å; K170-E173 PolarHBondContact O-N 3.17Å; K170-E174 WeakPolarHBondContact O-CB 3.47Å; K170-E174 WeakPolarHBondContact O-CG 3.5Å; K170-E174 PolarHBondContact O-N 2.96Å |
| 171 | L | 89.6 | Confident | 88.3 | Confident | 18 Ų | 18 | 53.9 Ų | 53.9 | 9% | 0.094 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -56 | -40.9 | 176.3 | -172 | 76.9 | 0 | 0 | 0 | 111.7 | L143 A146 Y150 S167 F168 N169 N175 I180 | L143-L171 HydrophobicContact CD2-CD1 4.2Å; A146-L171 HydrophobicContact CB-CD2 4.49Å; Y150-L171 HydrophobicContact CD2-CD2 3.77Å; Y150-L171 HydrophobicContact CE2-CD2 3.88Å; S167-L171 PolarHBondContact O-N 2.93Å; S167-L171 VanDerWaalsContact O-N 3.07Å; F168-L171 WeakPolarHBondContact O-CB 3.46Å; F168-L171 PolarHBondContact O-N 3.47Å; N169-L171 PolarHBondContact O-N 3.11Å; L171-N175 WeakPolarHBondContact O-CB 3.39Å; L171-N175 PolarHBondContact O-N 2.87Å; L171-N175 PolarHBondContact O-ND2 2.84Å; L171-I180 WeakPolarHBondContact O-CD1 3.36Å |
| 172 | V | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -73.9 | -34.5 | 178.9 | 177.3 | 0 | 0 | 0 | 0 | 113 | F168 N169 K170 R237 I240 I241 | F168-V172 HydrophobicContact CD2-CG2 4.43Å; F168-V172 HydrophobicContact CE1-CG2 4.1Å; F168-V172 HydrophobicContact CE2-CG2 3.98Å; F168-V172 HydrophobicContact CZ-CG2 3.8Å; F168-V172 WeakPolarHBondContact O-CG2 3.43Å; F168-V172 PolarHBondContact O-N 2.97Å; F168-V172 VanDerWaalsContact O-N 3.1Å; N169-V172 PolarHBondContact O-N 3.08Å; N169-V172 VanDerWaalsContact O-N 3.11Å; K170-V172 PolarHBondContact O-N 3.37Å; V172-R237 HydrophobicContact CG1-CB 3.93Å; V172-R237 HydrophobicContact CG1-CG 3.87Å; V172-R237 WeakPolarHBondContact O-CD 3.42Å; V172-R237 PolarHBondContact O-NE 3.13Å; V172-I240 HydrophobicContact CG1-CB 4.4Å; V172-I240 HydrophobicContact CG1-CD1 4.43Å; V172-I240 HydrophobicContact CG1-CG2 4.3Å; V172-I240 HydrophobicContact CG2-CG2 3.86Å; V172-I241 HydrophobicContact CG1-CD1 4.19Å; V172-I241 HydrophobicContact CG1-CG1 4.09Å |
| 173 | E | 89.2 | Confident | 87.2 | Confident | 127 Ų | 127 | 57.4 Ų | 57.4 | 59% | 0.593 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -73.2 | -47.7 | 176.7 | -73.1 | -179.8 | 178.7 | 0 | 0 | 112.6 | N169 K170 R237 | N169-E173 WeakPolarHBondContact O-CG 3.4Å; N169-E173 PolarHBondContact O-N 3.28Å; K170-E173 PolarHBondContact O-N 3.17Å; E173-R237 PolarHBondContact O-NH2 2.91Å |
| 174 | E | 88.4 | Confident | 86.6 | Confident | 154 Ų | 154 | 59.3 Ų | 59.3 | 72% | 0.72 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -71.5 | -38.1 | -173.7 | -69.1 | 176 | 177.3 | 0 | 0 | 112.9 | K170 | K170-E174 WeakPolarHBondContact O-CB 3.47Å; K170-E174 WeakPolarHBondContact O-CG 3.5Å; K170-E174 PolarHBondContact O-N 2.96Å |
| 175 | N | 86.4 | Confident | 86.1 | Confident | 40 Ų | 40 | 60.7 Ų | 60.7 | 21% | 0.214 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -98.1 | 165.1 | -174.9 | -59.3 | -81.8 | 0 | 0 | 0 | 112.2 | L143 L171 I180 R237 | L143-N175 HydrophobicContact CD1-CB 4.07Å; L143-N175 VanDerWaalsContact CD1-OD1 3.32Å; L143-N175 WeakPolarHBondContact CD1-OD1 3.47Å; L171-N175 WeakPolarHBondContact O-CB 3.39Å; L171-N175 PolarHBondContact O-N 2.87Å; L171-N175 PolarHBondContact O-ND2 2.84Å; N175-I180 HydrophobicContact CB-CD1 3.82Å; N175-I180 HydrophobicContact CB-CG1 3.87Å; N175-R237 PolarHBondContact O-NE 3.01Å; N175-R237 PolarHBondContact O-NH2 2.99Å |
| 176 | R | 82.7 | Confident | 85.6 | Confident | 118 Ų | 118 | 60.4 Ų | 60.4 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | trans | -79.8 | 140.3 | 176.6 | -41.3 | 170.8 | 68.5 | 146.4 | -2.4 | 108.4 | E178 D179 I180 | R176-E178 HydrophobicContact CB-CB 4.38Å; R176-E178 IonicContact NE-OE1 2.72Å; R176-E178 IonicContact NH2-OE1 3.61Å; R176-E178 IonicContact NH2-OE2 3.72Å; R176-E178 PolarHBondContact O-N 3.14Å; R176-D179 WeakPolarHBondContact CB-OD2 3.33Å; R176-D179 VanDerWaalsContact CD-OD2 3.31Å; R176-D179 WeakPolarHBondContact CD-OD2 3.43Å; R176-D179 VanDerWaalsContact CG-OD2 3.23Å; R176-D179 WeakPolarHBondContact CG-OD2 3.41Å; R176-D179 PolarHBondContact O-N 2.72Å; R176-I180 WeakPolarHBondContact O-CG1 3.31Å; R176-I180 PolarHBondContact O-N 2.75Å | ||
| 177 | P | 80.9 | Confident | 85 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.7 | -20.1 | 177.8 | 25.5 | -34.5 | 0 | 0 | 0 | 113.3 | D179 L181 F186 R233 V236 I240 | P177-D179 VanDerWaalsContact C-N 3.3Å; P177-L181 PolarHBondContact O-N 2.71Å; P177-F186 HydrophobicContact CB-CD2 4.5Å; P177-F186 HydrophobicContact CB-CE2 4.2Å; P177-F186 HydrophobicContact CG-CE2 4.24Å; P177-R233 HydrophobicContact CG-CB 4.18Å; P177-R233 HydrophobicContact CG-CG 4.38Å; P177-V236 HydrophobicContact CB-CB 4.11Å; P177-V236 HydrophobicContact CB-CG1 3.57Å; P177-V236 HydrophobicContact CG-CB 4.24Å; P177-V236 HydrophobicContact CG-CG1 4.22Å; P177-I240 HydrophobicContact CB-CD1 4.13Å |
| 178 | E | 80.8 | Confident | 84.6 | Confident | 66 Ų | 66 | 60.8 Ų | 60.8 | 31% | 0.308 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.1 | -29.7 | 172.6 | -63.3 | 157.6 | -117.2 | 0 | 0 | 112.7 | R176 F186 R233 | R176-E178 HydrophobicContact CB-CB 4.38Å; R176-E178 IonicContact NE-OE1 2.72Å; R176-E178 IonicContact NH2-OE1 3.61Å; R176-E178 IonicContact NH2-OE2 3.72Å; R176-E178 PolarHBondContact O-N 3.14Å; E178-F186 HydrophobicContact CB-CE2 4.48Å; E178-F186 HydrophobicContact CG-CE1 4.3Å; E178-F186 HydrophobicContact CG-CE2 3.74Å; E178-F186 HydrophobicContact CG-CZ 3.59Å; E178-R233 IonicContact OE1-CZ 3.89Å; E178-R233 IonicContact OE1-NE 2.74Å; E178-R233 PolarHBondContact OE1-NE 3.28Å; E178-R233 IonicContact OE1-NH2 3.71Å; E178-R233 PolarHBondContact OE1-NH2 3.36Å |
| 179 | D | 81.9 | Confident | 84 | Confident | 73 Ų | 73 | 61.2 Ų | 61.2 | 39% | 0.39 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -96.6 | -18.1 | -176 | -50.1 | -47.5 | 0 | 0 | 0 | 113.1 | L143 V144 R176 P177 | L143-D179 WeakPolarHBondContact CB-O 3.3Å; L143-D179 HydrophobicContact CD1-CB 4.03Å; V144-D179 WeakPolarHBondContact CG2-O 3.15Å; R176-D179 WeakPolarHBondContact CB-OD2 3.33Å; R176-D179 VanDerWaalsContact CD-OD2 3.31Å; R176-D179 WeakPolarHBondContact CD-OD2 3.43Å; R176-D179 VanDerWaalsContact CG-OD2 3.23Å; R176-D179 WeakPolarHBondContact CG-OD2 3.41Å; R176-D179 PolarHBondContact O-N 2.72Å; P177-D179 VanDerWaalsContact C-N 3.3Å |
| 180 | I | 83.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 60.4 Ų | 60.4 | 1% | 0.01 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -94.6 | -34.3 | -173.3 | -55.9 | 169.2 | 0 | 0 | 0 | 111.7 | V144 A147 L171 N175 R176 | V144-I180 WeakPolarHBondContact CA-O 3.48Å; A147-I180 HydrophobicContact CB-CG2 3.57Å; A147-I180 WeakPolarHBondContact CB-O 3.46Å; L171-I180 WeakPolarHBondContact O-CD1 3.36Å; N175-I180 HydrophobicContact CB-CD1 3.82Å; N175-I180 HydrophobicContact CB-CG1 3.87Å; R176-I180 WeakPolarHBondContact O-CG1 3.31Å; R176-I180 PolarHBondContact O-N 2.75Å |
| 181 | L | 81.2 | Confident | 83 | Confident | 9 Ų | 9 | 59.8 Ų | 59.8 | 5% | 0.047 | 30% | 0.302 | C | S | . | . | S | Bend | trans | -95.6 | 153.5 | -175.3 | -69.9 | -178.1 | 0 | 0 | 0 | 112.5 | P177 E185 F186 M189 V236 I240 | P177-L181 PolarHBondContact O-N 2.71Å; L181-E185 HydrophobicContact CB-CB 4.27Å; L181-E185 HydrophobicContact CD1-CB 4.36Å; L181-E185 HydrophobicContact CD2-CB 4.28Å; L181-F186 HydrophobicContact CB-CB 4.11Å; L181-F186 HydrophobicContact CD1-CB 4.29Å; L181-F186 HydrophobicContact CD1-CD2 4.34Å; L181-M189 HydrophobicContact CD1-CE 4.25Å; L181-M189 HydrophobicContact CD1-SD 3.67Å; L181-M189 HydrophobicContact CD2-CE 4.49Å; L181-V236 HydrophobicContact CD1-CG1 4.17Å; L181-I240 HydrophobicContact CD1-CD1 3.77Å; L181-I240 HydrophobicContact CD1-CG1 3.96Å; L181-I240 HydrophobicContact CD2-CD1 4.13Å; L181-I240 HydrophobicContact CD2-CG1 4.16Å; L181-I240 HydrophobicContact CG-CD1 3.87Å; L181-I240 HydrophobicContact CG-CG1 4.3Å |
| 182 | S | 81.7 | Confident | 82.6 | Confident | 41 Ų | 41 | 64.4 Ų | 64.4 | 29% | 0.287 | 32% | 0.324 | S | S | . | . | trans | -61.7 | 147.1 | 161.3 | 68 | 0 | 0 | 0 | 0 | 110.2 | N184 E185 F186 | S182-N184 PolarHBondContact O-N 3.17Å; S182-N184 VanDerWaalsContact O-N 3.07Å; S182-E185 PolarHBondContact N-OE2 2.98Å; S182-E185 PolarHBondContact O-N 3.23Å; S182-E185 WeakPolarHBondContact OG-CB 3.2Å; S182-E185 VanDerWaalsContact OG-CG 3.31Å; S182-E185 WeakPolarHBondContact OG-CG 3.3Å; S182-E185 PolarHBondContact OG-N 3.38Å; S182-E185 PolarHBondContact OG-OE2 2.87Å; S182-F186 PolarHBondContact O-N 3.31Å | ||
| 183 | K | 77.6 | Confident | 82.1 | Confident | 171 Ų | 171 | 65.3 Ų | 65.3 | 74% | 0.743 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -50 | -39.5 | 178.6 | -69.2 | -170.8 | 175.5 | -169.6 | 0 | 112.2 | F186 T187 | K183-F186 PolarHBondContact O-N 2.82Å; K183-T187 WeakPolarHBondContact O-CG2 3.22Å; K183-T187 PolarHBondContact O-N 3.48Å; K183-T187 PolarHBondContact O-OG1 3.32Å |
| 184 | N | 80.9 | Confident | 81.2 | Confident | 126 Ų | 126 | 60.2 Ų | 60.2 | 67% | 0.674 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -69.2 | -40.6 | -178.7 | -62.5 | -4.4 | 0 | 0 | 0 | 112.8 | S182 T187 S188 | S182-N184 PolarHBondContact O-N 3.17Å; S182-N184 VanDerWaalsContact O-N 3.07Å; N184-T187 PolarHBondContact O-OG1 2.87Å; N184-T187 VanDerWaalsContact O-OG1 3.06Å; N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.12Å; N184-S188 PolarHBondContact O-N 3.43Å; N184-S188 PolarHBondContact O-OG 2.65Å |
| 185 | E | 81.8 | Confident | 80.6 | Confident | 50 Ų | 50 | 56.7 Ų | 56.7 | 23% | 0.234 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.3 | -44.7 | 173.5 | -76.1 | 171.9 | 104.1 | 0 | 0 | 111.4 | L181 S182 T187 S188 M189 R244 | L181-E185 HydrophobicContact CB-CB 4.27Å; L181-E185 HydrophobicContact CD1-CB 4.36Å; L181-E185 HydrophobicContact CD2-CB 4.28Å; S182-E185 PolarHBondContact N-OE2 2.98Å; S182-E185 PolarHBondContact O-N 3.23Å; S182-E185 WeakPolarHBondContact OG-CB 3.2Å; S182-E185 VanDerWaalsContact OG-CG 3.31Å; S182-E185 WeakPolarHBondContact OG-CG 3.3Å; S182-E185 PolarHBondContact OG-N 3.38Å; S182-E185 PolarHBondContact OG-OE2 2.87Å; E185-T187 PolarHBondContact O-N 2.97Å; E185-S188 WeakPolarHBondContact O-CB 3.44Å; E185-S188 PolarHBondContact O-N 3.38Å; E185-S188 VanDerWaalsContact O-N 3.09Å; E185-M189 WeakPolarHBondContact O-CG 3.44Å; E185-M189 PolarHBondContact O-N 3.02Å; E185-R244 IonicContact OE1-CZ 3.81Å; E185-R244 IonicContact OE1-NH1 3.26Å; E185-R244 IonicContact OE1-NH2 2.67Å; E185-R244 PolarHBondContact OE1-NH2 3.41Å |
| 186 | F | 81.3 | Confident | 79.7 | Confident | 22 Ų | 22 | 59.2 Ų | 59.2 | 10% | 0.096 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.7 | -49 | 178.9 | -175.7 | -96.7 | 0 | 0 | 0 | 111.3 | P177 E178 L181 S182 K183 S188 M189 V190 I228 V236 | P177-F186 HydrophobicContact CB-CD2 4.5Å; P177-F186 HydrophobicContact CB-CE2 4.2Å; P177-F186 HydrophobicContact CG-CE2 4.24Å; E178-F186 HydrophobicContact CB-CE2 4.48Å; E178-F186 HydrophobicContact CG-CE1 4.3Å; E178-F186 HydrophobicContact CG-CE2 3.74Å; E178-F186 HydrophobicContact CG-CZ 3.59Å; L181-F186 HydrophobicContact CB-CB 4.11Å; L181-F186 HydrophobicContact CD1-CB 4.29Å; L181-F186 HydrophobicContact CD1-CD2 4.34Å; S182-F186 PolarHBondContact O-N 3.31Å; K183-F186 PolarHBondContact O-N 2.82Å; F186-S188 VanDerWaalsContact C-N 3.29Å; F186-S188 PolarHBondContact O-N 3.24Å; F186-M189 PolarHBondContact O-N 3.1Å; F186-V190 HydrophobicContact CD1-CG2 4.2Å; F186-V190 HydrophobicContact CE1-CG2 3.8Å; F186-V190 HydrophobicContact CE2-CG2 4.22Å; F186-V190 HydrophobicContact CZ-CG2 3.81Å; F186-V190 WeakPolarHBondContact O-CB 3.48Å; F186-V190 WeakPolarHBondContact O-CG2 3.44Å; F186-V190 PolarHBondContact O-N 3.21Å; F186-I228 HydrophobicContact CE1-CD1 4.19Å; F186-I228 HydrophobicContact CZ-CD1 4.02Å; F186-V236 HydrophobicContact CD2-CG1 4.32Å; F186-V236 HydrophobicContact CE2-CG1 4.3Å; F186-V236 HydrophobicContact CE2-CG2 4.46Å |
| 187 | T | 81 | Confident | 78.8 | Confident | 65 Ų | 65 | 56.8 Ų | 56.8 | 40% | 0.399 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62.4 | -35.7 | 174.8 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | K183 N184 E185 T191 | K183-T187 WeakPolarHBondContact O-CG2 3.22Å; K183-T187 PolarHBondContact O-N 3.48Å; K183-T187 PolarHBondContact O-OG1 3.32Å; N184-T187 PolarHBondContact O-OG1 2.87Å; N184-T187 VanDerWaalsContact O-OG1 3.06Å; E185-T187 PolarHBondContact O-N 2.97Å; T187-T191 VanDerWaalsContact O-CB 3.25Å; T187-T191 WeakPolarHBondContact O-CB 3.15Å; T187-T191 PolarHBondContact O-N 3.25Å; T187-T191 PolarHBondContact O-OG1 3.29Å |
| 188 | S | 83 | Confident | 77.5 | Confident | 60 Ų | 60 | 60 Ų | 60 | 42% | 0.42 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -66.4 | -45.4 | 177.2 | -62.9 | 0 | 0 | 0 | 0 | 112 | N184 E185 F186 T191 Q192 | N184-S188 VanDerWaalsContact O-CB 3.3Å; N184-S188 WeakPolarHBondContact O-CB 3.12Å; N184-S188 PolarHBondContact O-N 3.43Å; N184-S188 PolarHBondContact O-OG 2.65Å; E185-S188 WeakPolarHBondContact O-CB 3.44Å; E185-S188 PolarHBondContact O-N 3.38Å; E185-S188 VanDerWaalsContact O-N 3.09Å; F186-S188 VanDerWaalsContact C-N 3.29Å; F186-S188 PolarHBondContact O-N 3.24Å; S188-T191 PolarHBondContact O-N 3.17Å; S188-Q192 WeakPolarHBondContact O-CG 3.46Å; S188-Q192 PolarHBondContact O-N 2.68Å |
| 189 | M | 79.9 | Confident | 76.3 | Confident | 13 Ų | 13 | 64.4 Ų | 64.4 | 6% | 0.064 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -67 | -44.1 | 177.5 | -68.5 | -168.1 | -175.7 | 0 | 0 | 111.8 | L181 E185 F186 T191 Q192 I193 V236 M239 I240 | L181-M189 HydrophobicContact CD1-CE 4.25Å; L181-M189 HydrophobicContact CD1-SD 3.67Å; L181-M189 HydrophobicContact CD2-CE 4.49Å; E185-M189 WeakPolarHBondContact O-CG 3.44Å; E185-M189 PolarHBondContact O-N 3.02Å; F186-M189 PolarHBondContact O-N 3.1Å; M189-T191 VanDerWaalsContact C-N 3.28Å; M189-T191 PolarHBondContact O-N 2.95Å; M189-Q192 PolarHBondContact O-N 3.24Å; M189-I193 WeakPolarHBondContact O-CG1 3.47Å; M189-I193 PolarHBondContact O-N 2.93Å; M189-V236 HydrophobicContact CB-CG1 4.41Å; M189-V236 HydrophobicContact SD-CG1 4.25Å; M189-M239 HydrophobicContact CB-SD 3.62Å; M189-M239 HydrophobicContact CG-CG 4.17Å; M189-M239 HydrophobicContact CG-SD 3.66Å; M189-M239 HydrophobicContact SD-CB 4.31Å; M189-M239 HydrophobicContact SD-CG 4.03Å; M189-M239 HydrophobicContact SD-SD 4.27Å; M189-I240 HydrophobicContact CE-CG1 4Å; M189-I240 HydrophobicContact SD-CG1 3.66Å |
| 190 | V | 80.3 | Confident | 74.6 | Confident | 7 Ų | 7 | 66.6 Ų | 66.6 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -35.8 | 175 | 174.1 | 0 | 0 | 0 | 0 | 111.5 | F186 I193 S194 I201 L203 V236 | F186-V190 HydrophobicContact CD1-CG2 4.2Å; F186-V190 HydrophobicContact CE1-CG2 3.8Å; F186-V190 HydrophobicContact CE2-CG2 4.22Å; F186-V190 HydrophobicContact CZ-CG2 3.81Å; F186-V190 WeakPolarHBondContact O-CB 3.48Å; F186-V190 WeakPolarHBondContact O-CG2 3.44Å; F186-V190 PolarHBondContact O-N 3.21Å; V190-I193 PolarHBondContact O-N 3.34Å; V190-S194 VanDerWaalsContact O-CB 3.32Å; V190-S194 WeakPolarHBondContact O-CB 3.47Å; V190-S194 PolarHBondContact O-N 3.15Å; V190-I201 HydrophobicContact CG1-CD1 4.36Å; V190-L203 HydrophobicContact CG1-CD1 4.08Å; V190-V236 HydrophobicContact CG2-CG2 3.83Å |
| 191 | T | 81.5 | Confident | 73.1 | Confident | 93 Ų | 93 | 69.9 Ų | 69.9 | 57% | 0.571 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.6 | -43.2 | 173.5 | -59.5 | 0 | 0 | 0 | 0 | 111.6 | T187 S188 M189 I193 S194 A195 | T187-T191 VanDerWaalsContact O-CB 3.25Å; T187-T191 WeakPolarHBondContact O-CB 3.15Å; T187-T191 PolarHBondContact O-N 3.25Å; T187-T191 PolarHBondContact O-OG1 3.29Å; S188-T191 PolarHBondContact O-N 3.17Å; M189-T191 VanDerWaalsContact C-N 3.28Å; M189-T191 PolarHBondContact O-N 2.95Å; T191-I193 PolarHBondContact O-N 3.41Å; T191-S194 PolarHBondContact O-N 3.45Å; T191-A195 WeakPolarHBondContact O-CB 3.44Å; T191-A195 PolarHBondContact O-N 3.06Å |
| 192 | Q | 81.6 | Confident | 71.3 | Confident | 116 Ų | 116 | 73.3 Ų | 73.3 | 54% | 0.542 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62 | -41.8 | 174.9 | -71.4 | 173.9 | 42.1 | 0 | 0 | 111.9 | S188 M189 A195 A196 M239 | S188-Q192 WeakPolarHBondContact O-CG 3.46Å; S188-Q192 PolarHBondContact O-N 2.68Å; M189-Q192 PolarHBondContact O-N 3.24Å; Q192-A195 PolarHBondContact O-N 2.99Å; Q192-A196 WeakPolarHBondContact O-CB 3.43Å; Q192-A196 PolarHBondContact O-N 3.32Å; Q192-M239 HydrophobicContact CB-CE 3.91Å; Q192-M239 HydrophobicContact CB-SD 4.17Å |
| 193 | I | 78.2 | Confident | 69.6 | Low | 19 Ų | 19 | 76.1 Ų | 76.1 | 10% | 0.097 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 175.5 | -67.4 | 161.6 | 0 | 0 | 0 | 111.1 | M189 V190 T191 A195 A196 A197 V236 M239 | M189-I193 WeakPolarHBondContact O-CG1 3.47Å; M189-I193 PolarHBondContact O-N 2.93Å; V190-I193 PolarHBondContact O-N 3.34Å; T191-I193 PolarHBondContact O-N 3.41Å; I193-A195 VanDerWaalsContact C-N 3.33Å; I193-A195 PolarHBondContact O-N 2.66Å; I193-A196 PolarHBondContact O-N 2.76Å; I193-A197 WeakPolarHBondContact O-CB 3.26Å; I193-A197 PolarHBondContact O-N 2.89Å; I193-V236 HydrophobicContact CD1-CB 4.22Å; I193-V236 HydrophobicContact CD1-CG2 3.42Å; I193-V236 VanDerWaalsContact CD1-CG2 3.42Å; I193-M239 HydrophobicContact CD1-CE 4.39Å; I193-M239 HydrophobicContact CG1-CE 3.73Å; I193-M239 HydrophobicContact CG1-SD 4.45Å |
| 194 | S | 70.1 | Confident | 67.7 | Low | 20 Ų | 20 | 76.3 Ų | 76.3 | 14% | 0.14 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 112 | V190 T191 G198 K199 P200 I201 | V190-S194 VanDerWaalsContact O-CB 3.32Å; V190-S194 WeakPolarHBondContact O-CB 3.47Å; V190-S194 PolarHBondContact O-N 3.15Å; T191-S194 PolarHBondContact O-N 3.45Å; S194-G198 PolarHBondContact O-N 2.82Å; S194-K199 PolarHBondContact O-N 3.17Å; S194-K199 PolarHBondContact OG-O 2.96Å; S194-P200 WeakPolarHBondContact OG-CA 3.49Å; S194-I201 PolarHBondContact OG-N 3.29Å; S194-I201 VanDerWaalsContact OG-N 3.15Å |
| 195 | A | 75.9 | Confident | 65.4 | Low | 80 Ų | 80 | 78.4 Ų | 78.4 | 66% | 0.661 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -65.9 | -45.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | T191 Q192 I193 G198 | T191-A195 WeakPolarHBondContact O-CB 3.44Å; T191-A195 PolarHBondContact O-N 3.06Å; Q192-A195 PolarHBondContact O-N 2.99Å; I193-A195 VanDerWaalsContact C-N 3.33Å; I193-A195 PolarHBondContact O-N 2.66Å; A195-G198 PolarHBondContact O-N 2.75Å |
| 196 | A | 68 | Low | 63.1 | Low | 93 Ų | 93 | 81.8 Ų | 81.8 | 77% | 0.769 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -67.2 | -33.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q192 I193 | Q192-A196 WeakPolarHBondContact O-CB 3.43Å; Q192-A196 PolarHBondContact O-N 3.32Å; I193-A196 PolarHBondContact O-N 2.76Å |
| 197 | A | 63.5 | Low | 60.6 | Low | 67 Ų | 67 | 87.2 Ų | 87.2 | 55% | 0.554 | 53% | 0.532 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -5.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | I193 K199 | I193-A197 WeakPolarHBondContact O-CB 3.26Å; I193-A197 PolarHBondContact O-N 2.89Å; A197-K199 PolarHBondContact O-N 3.17Å |
| 198 | G | 54.7 | Low | 58.3 | Low | 68 Ų | 68 | 87 Ų | 87 | 70% | 0.701 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.5 | 21.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115 | S194 A195 | S194-G198 PolarHBondContact O-N 2.82Å; A195-G198 PolarHBondContact O-N 2.75Å |
| 199 | K | 54.8 | Low | 55.9 | Low | 158 Ų | 158 | 92 Ų | 92 | 69% | 0.687 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -137.1 | 129.2 | 177.5 | -75 | -177.4 | 177.9 | 176.7 | 0 | 110.3 | S194 A197 I201 | S194-K199 PolarHBondContact O-N 3.17Å; S194-K199 PolarHBondContact OG-O 2.96Å; A197-K199 PolarHBondContact O-N 3.17Å; K199-I201 PolarHBondContact O-N 3.42Å |
| 200 | P | 46.7 | Very low | 53.9 | Low | 119 Ų | 119 | 99.5 Ų | 99.5 | 77% | 0.773 | 60% | 0.603 | S | S | * | * | trans | -66.8 | 128.6 | 174.9 | 28.5 | -33.5 | 0 | 0 | 0 | 110.4 | S194 | S194-P200 WeakPolarHBondContact OG-CA 3.49Š| ||
| 201 | I | 51.3 | Low | 52 | Low | 70 Ų | 70 | 104.1 Ų | 104.1 | 36% | 0.359 | 64% | 0.635 | S | S | . | * | trans | -98.4 | 102.1 | 168.4 | -58.6 | 174.9 | 0 | 0 | 0 | 106.6 | V190 S194 K199 L203 V232 | V190-I201 HydrophobicContact CG1-CD1 4.36Å; S194-I201 PolarHBondContact OG-N 3.29Å; S194-I201 VanDerWaalsContact OG-N 3.15Å; K199-I201 PolarHBondContact O-N 3.42Å; I201-L203 HydrophobicContact CG2-CD1 4.22Å; I201-L203 PolarHBondContact O-N 3.19Å; I201-V232 HydrophobicContact CD1-CG1 4.49Å; I201-V232 HydrophobicContact CD1-CG2 4.07Å | ||
| 202 | S | 43.6 | Very low | 49.9 | Very low | 81 Ų | 81 | 107.3 Ų | 107.3 | 57% | 0.566 | 65% | 0.649 | S | S | * | * | trans | -71.9 | 110.6 | 174.8 | -66.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 203 | L | 46.5 | Very low | 48 | Very low | 101 Ų | 101 | 109.7 Ų | 109.7 | 53% | 0.529 | 66% | 0.66 | S | S | . | * | trans | -91.1 | 104.8 | 155.3 | -70.3 | 94.2 | 0 | 0 | 0 | 107.5 | V190 I201 | V190-L203 HydrophobicContact CG1-CD1 4.08Å; I201-L203 HydrophobicContact CG2-CD1 4.22Å; I201-L203 PolarHBondContact O-N 3.19Å | ||
| 204 | E | 37.1 | Very low | 46.4 | Very low | 174 Ų | 174 | 115.8 Ų | 115.8 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | trans | -104.3 | 115.4 | 167.4 | -71.8 | -177.5 | -176.2 | 0 | 0 | 108.3 | S206 | E204-S206 PolarHBondContact O-N 3.33Š| ||
| 205 | E | 33.7 | Very low | 45.1 | Very low | 170 Ų | 170 | 123.6 Ų | 123.6 | 79% | 0.794 | 73% | 0.726 | S | S | * | * | trans | -72.7 | 119.4 | 177.2 | -65.7 | -175.3 | 128 | 0 | 0 | 110 | T207 | E205-T207 VanDerWaalsContact C-N 3.33Å; E205-T207 PolarHBondContact O-N 3.15Å | ||
| 206 | S | 32.8 | Very low | 43.7 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 85% | 0.846 | 73% | 0.731 | S | S | * | * | trans | -79.5 | 82.2 | 173.9 | 63.9 | 0 | 0 | 0 | 0 | 110.3 | E204 G208 | E204-S206 PolarHBondContact O-N 3.33Å; S206-G208 PolarHBondContact O-N 3.06Å; S206-G208 VanDerWaalsContact O-N 3.08Å | ||
| 207 | T | 28.4 | Very low | 42.6 | Very low | 137 Ų | 137 | 126.3 Ų | 126.3 | 84% | 0.84 | 73% | 0.729 | S | S | * | * | trans | -61.9 | 107.9 | 165.2 | 52.6 | 0 | 0 | 0 | 0 | 108.7 | E205 | E205-T207 VanDerWaalsContact C-N 3.33Å; E205-T207 PolarHBondContact O-N 3.15Å | ||
| 208 | G | 32.9 | Very low | 41.5 | Very low | 59 Ų | 59 | 130.8 Ų | 130.8 | 61% | 0.608 | 74% | 0.742 | S | S | * | * | trans | -154.1 | 105.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 111 | S206 I210 | S206-G208 PolarHBondContact O-N 3.06Å; S206-G208 VanDerWaalsContact O-N 3.08Å; G208-I210 PolarHBondContact O-N 2.69Å | ||
| 209 | D | 32.4 | Very low | 40.5 | Very low | 165 Ų | 165 | 136 Ų | 136 | 88% | 0.882 | 75% | 0.753 | S | S | * | * | trans | -60.7 | 130.3 | 175.7 | -61.1 | -70.1 | 0 | 0 | 0 | 110.8 | ||||
| 210 | I | 37.3 | Very low | 39.4 | Very low | 172 Ų | 172 | 132 Ų | 132 | 88% | 0.882 | 76% | 0.757 | S | S | * | * | trans | -104.3 | 99.6 | 172 | -59 | 179.2 | 0 | 0 | 0 | 107.5 | G208 | G208-I210 PolarHBondContact O-N 2.69Š| ||
| 211 | S | 40.4 | Very low | 39 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 76% | 0.76 | S | S | * | * | trans | -109.8 | 101.9 | 170.3 | 47.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 212 | D | 38.2 | Very low | 38.1 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 86% | 0.856 | 78% | 0.784 | S | S | * | * | trans | 58.6 | 164.3 | 155.7 | -77.9 | -47.9 | 0 | 0 | 0 | 122.2 | ||||
| 213 | E | 41.7 | Very low | 37.8 | Very low | 166 Ų | 166 | 141 Ų | 141 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | trans | 62.7 | 89.6 | 165.9 | -63 | -161 | 115.9 | 0 | 0 | 121.5 | ||||
| 214 | L | 45.1 | Very low | 37.3 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 78% | 0.775 | 81% | 0.81 | S | S | * | * | 70.8 | 141.6 | 113.1 | -67.8 | 170.4 | 0 | 0 | 0 | 122.8 | |||||
| 215 | E | 42.8 | Very low | 37.3 | Very low | 183 Ų | 183 | 137.5 Ų | 137.5 | 86% | 0.855 | 80% | 0.804 | S | S | * | * | trans | 67.9 | 125 | 164.5 | -59.5 | -158.7 | 134 | 0 | 0 | 121 | ||||
| 216 | P | 46.9 | Very low | 37.6 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 77% | 0.766 | 80% | 0.803 | S | S | * | * | trans | -93.9 | 160.1 | 171.5 | 38.2 | -34.4 | 0 | 0 | 0 | 112.6 | ||||
| 217 | P | 43.5 | Very low | 38.6 | Very low | 113 Ų | 113 | 138.5 Ų | 138.5 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | -150.8 | 139.2 | 111.3 | 35.1 | -17.6 | 0 | 0 | 0 | 117.7 | |||||
| 218 | I | 40.1 | Very low | 40.3 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 82% | 0.821 | 77% | 0.769 | S | S | * | * | 52.2 | 108.8 | 129.6 | -53.2 | 174.6 | 0 | 0 | 0 | 119.4 | |||||
| 219 | L | 34.7 | Very low | 42.3 | Very low | 177 Ų | 177 | 135.2 Ų | 135.2 | 93% | 0.927 | 76% | 0.764 | S | S | * | * | trans | 68 | 109.8 | 143 | -163.6 | 74.4 | 0 | 0 | 0 | 119.9 | ||||
| 220 | G | 32.2 | Very low | 44.4 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 75% | 0.752 | S | S | * | * | trans | 122.2 | 51.6 | 131.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 221 | S | 38.2 | Very low | 46.5 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | trans | -152.8 | 140 | 148.1 | 61.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 222 | T | 32.6 | Very low | 48.4 | Very low | 142 Ų | 142 | 124.1 Ų | 124.1 | 87% | 0.871 | 71% | 0.709 | S | S | * | * | trans | -87.3 | 114.5 | -176.3 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 223 | K | 36.8 | Very low | 50.6 | Low | 198 Ų | 198 | 118.2 Ų | 118.2 | 86% | 0.861 | 67% | 0.674 | S | S | * | * | trans | -95.8 | 129.9 | 153.1 | -72.4 | -177.2 | 177.7 | 179.5 | 0 | 108.1 | A225 | K223-A225 PolarHBondContact O-N 3.37Š| ||
| 224 | P | 35.7 | Very low | 52.6 | Low | 119 Ų | 119 | 112.9 Ų | 112.9 | 77% | 0.773 | 66% | 0.658 | S | S | * | * | trans | -74.4 | 112.5 | 173.8 | 29.7 | -31.5 | 0 | 0 | 0 | 109.5 | ||||
| 225 | A | 36.1 | Very low | 54.5 | Low | 82 Ų | 82 | 108.6 Ų | 108.6 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | trans | -67.5 | 131 | 158.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | K223 E227 | K223-A225 PolarHBondContact O-N 3.37Å; A225-E227 VanDerWaalsContact C-N 3.28Å; A225-E227 PolarHBondContact O-N 2.74Å | ||
| 226 | I | 41.6 | Very low | 56.6 | Low | 153 Ų | 153 | 99.9 Ų | 99.9 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | trans | -82.2 | 83.2 | 176.9 | -58.3 | 178.9 | 0 | 0 | 0 | 107.4 | I228 | I226-I228 PolarHBondContact O-N 3.11Š| ||
| 227 | E | 52.6 | Low | 58.6 | Low | 158 Ų | 158 | 97.6 Ų | 97.6 | 74% | 0.738 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 128 | 175.9 | -64.9 | 179.3 | 159.7 | 0 | 0 | 110.1 | A225 T229 | A225-E227 VanDerWaalsContact C-N 3.28Å; A225-E227 PolarHBondContact O-N 2.74Å; E227-T229 PolarHBondContact O-N 2.6Å; E227-T229 VanDerWaalsContact O-N 3.13Å |
| 228 | I | 64.1 | Low | 60.7 | Low | 46 Ų | 46 | 97 Ų | 97 | 24% | 0.236 | 56% | 0.564 | C | S | . | * | P | Polyproline II helix | trans | -57.2 | 119.5 | 163 | -58.6 | 175.2 | 0 | 0 | 0 | 106.4 | F186 I226 V232 R233 | F186-I228 HydrophobicContact CE1-CD1 4.19Å; F186-I228 HydrophobicContact CZ-CD1 4.02Å; I226-I228 PolarHBondContact O-N 3.11Å; I228-V232 HydrophobicContact CG2-CB 4Å; I228-V232 HydrophobicContact CG2-CG1 3.84Å; I228-R233 HydrophobicContact CG2-CG 4.1Å; I228-R233 PolarHBondContact O-NH1 3.2Å; I228-R233 PolarHBondContact O-NH2 3.39Å |
| 229 | T | 74.7 | Confident | 62.9 | Low | 81 Ų | 81 | 91.6 Ų | 91.6 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -70.8 | 149.1 | -175.4 | 65.2 | 0 | 0 | 0 | 0 | 110.8 | E227 A231 V232 R233 | E227-T229 PolarHBondContact O-N 2.6Å; E227-T229 VanDerWaalsContact O-N 3.13Å; T229-A231 PolarHBondContact O-N 3.09Å; T229-A231 VanDerWaalsContact O-N 3.15Å; T229-V232 WeakPolarHBondContact O-CA 3.29Å; T229-V232 WeakPolarHBondContact O-CB 3.22Å; T229-V232 PolarHBondContact O-N 3.15Å; T229-V232 PolarHBondContact OG1-N 3.47Å; T229-R233 PolarHBondContact O-N 3.48Å |
| 230 | D | 78.1 | Confident | 65.5 | Low | 119 Ų | 119 | 83.2 Ų | 83.2 | 64% | 0.636 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.1 | -22.3 | 179.4 | -61.1 | -46.4 | 0 | 0 | 0 | 112.8 | R233 A234 | D230-R233 PolarHBondContact O-N 3.49Å; D230-R233 IonicContact OD1-CZ 3.23Å; D230-R233 IonicContact OD1-NH1 3.88Å; D230-R233 PolarHBondContact OD1-NH1 3.01Å; D230-A234 VanDerWaalsContact O-CB 3.31Å; D230-A234 WeakPolarHBondContact O-CB 3.08Å; D230-A234 PolarHBondContact O-N 3.17Å |
| 231 | A | 80.9 | Confident | 68.3 | Low | 67 Ų | 67 | 81 Ų | 81 | 55% | 0.554 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.3 | -44.7 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T229 A234 S235 | T229-A231 PolarHBondContact O-N 3.09Å; T229-A231 VanDerWaalsContact O-N 3.15Å; A231-A234 PolarHBondContact O-N 2.78Å; A231-S235 PolarHBondContact O-N 3.34Å; A231-S235 PolarHBondContact O-OG 2.95Å |
| 232 | V | 80.1 | Confident | 70.8 | Confident | 22 Ų | 22 | 79.1 Ų | 79.1 | 13% | 0.133 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -66.1 | -41.7 | 174.4 | 173.4 | 0 | 0 | 0 | 0 | 110.5 | I201 I228 T229 A234 S235 V236 | I201-V232 HydrophobicContact CD1-CG1 4.49Å; I201-V232 HydrophobicContact CD1-CG2 4.07Å; I228-V232 HydrophobicContact CG2-CB 4Å; I228-V232 HydrophobicContact CG2-CG1 3.84Å; T229-V232 WeakPolarHBondContact O-CA 3.29Å; T229-V232 WeakPolarHBondContact O-CB 3.22Å; T229-V232 PolarHBondContact O-N 3.15Å; T229-V232 PolarHBondContact OG1-N 3.47Å; V232-A234 VanDerWaalsContact C-N 3.34Å; V232-A234 PolarHBondContact O-N 3.04Å; V232-S235 PolarHBondContact O-N 3Å; V232-V236 HydrophobicContact CG1-CG2 4.47Å; V232-V236 WeakPolarHBondContact O-CG2 3.32Å; V232-V236 PolarHBondContact O-N 3.02Å |
| 233 | R | 83.3 | Confident | 73.4 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 14% | 0.136 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -59.2 | -43.5 | 174.7 | -65.2 | -172.8 | 177.2 | 98.8 | 15.3 | 112.3 | P177 E178 I228 T229 D230 V236 R237 | P177-R233 HydrophobicContact CG-CB 4.18Å; P177-R233 HydrophobicContact CG-CG 4.38Å; E178-R233 IonicContact OE1-CZ 3.89Å; E178-R233 IonicContact OE1-NE 2.74Å; E178-R233 PolarHBondContact OE1-NE 3.28Å; E178-R233 IonicContact OE1-NH2 3.71Å; E178-R233 PolarHBondContact OE1-NH2 3.36Å; I228-R233 HydrophobicContact CG2-CG 4.1Å; I228-R233 PolarHBondContact O-NH1 3.2Å; I228-R233 PolarHBondContact O-NH2 3.39Å; T229-R233 PolarHBondContact O-N 3.48Å; D230-R233 PolarHBondContact O-N 3.49Å; D230-R233 IonicContact OD1-CZ 3.23Å; D230-R233 IonicContact OD1-NH1 3.88Å; D230-R233 PolarHBondContact OD1-NH1 3.01Å; R233-V236 PolarHBondContact O-N 2.72Å; R233-R237 PolarHBondContact O-N 2.96Å |
| 234 | A | 85.4 | Confident | 76 | Confident | 53 Ų | 53 | 67 Ų | 67 | 44% | 0.438 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -42.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | D230 A231 V232 V236 R237 Q238 | D230-A234 VanDerWaalsContact O-CB 3.31Å; D230-A234 WeakPolarHBondContact O-CB 3.08Å; D230-A234 PolarHBondContact O-N 3.17Å; A231-A234 PolarHBondContact O-N 2.78Å; V232-A234 VanDerWaalsContact C-N 3.34Å; V232-A234 PolarHBondContact O-N 3.04Å; A234-V236 PolarHBondContact O-N 3.23Å; A234-R237 PolarHBondContact O-N 3.01Å; A234-Q238 PolarHBondContact O-N 2.81Å |
| 235 | S | 85 | Confident | 78.7 | Confident | 58 Ų | 58 | 63.9 Ų | 63.9 | 41% | 0.406 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -64 | -36.6 | 173.9 | -63 | 0 | 0 | 0 | 0 | 113.2 | A231 V232 M239 | A231-S235 PolarHBondContact O-N 3.34Å; A231-S235 PolarHBondContact O-OG 2.95Å; V232-S235 PolarHBondContact O-N 3Å; S235-M239 WeakPolarHBondContact O-CB 3.44Å; S235-M239 PolarHBondContact O-N 3.15Å |
| 236 | V | 85.9 | Confident | 81.4 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.006 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -66 | -46.1 | 173.1 | 178.1 | 0 | 0 | 0 | 0 | 110.5 | P177 L181 F186 M189 V190 I193 V232 R233 A234 Q238 M239 I240 | P177-V236 HydrophobicContact CB-CB 4.11Å; P177-V236 HydrophobicContact CB-CG1 3.57Å; P177-V236 HydrophobicContact CG-CB 4.24Å; P177-V236 HydrophobicContact CG-CG1 4.22Å; L181-V236 HydrophobicContact CD1-CG1 4.17Å; F186-V236 HydrophobicContact CD2-CG1 4.32Å; F186-V236 HydrophobicContact CE2-CG1 4.3Å; F186-V236 HydrophobicContact CE2-CG2 4.46Å; M189-V236 HydrophobicContact CB-CG1 4.41Å; M189-V236 HydrophobicContact SD-CG1 4.25Å; V190-V236 HydrophobicContact CG2-CG2 3.83Å; I193-V236 HydrophobicContact CD1-CB 4.22Å; I193-V236 HydrophobicContact CD1-CG2 3.42Å; I193-V236 VanDerWaalsContact CD1-CG2 3.42Å; V232-V236 HydrophobicContact CG1-CG2 4.47Å; V232-V236 WeakPolarHBondContact O-CG2 3.32Å; V232-V236 PolarHBondContact O-N 3.02Å; R233-V236 PolarHBondContact O-N 2.72Å; A234-V236 PolarHBondContact O-N 3.23Å; V236-Q238 VanDerWaalsContact C-N 3.34Å; V236-Q238 PolarHBondContact O-N 2.82Å; V236-M239 PolarHBondContact O-N 2.97Å; V236-M239 VanDerWaalsContact O-N 3.14Å; V236-I240 HydrophobicContact CG1-CD1 4.07Å; V236-I240 HydrophobicContact CG1-CG1 4.38Å; V236-I240 WeakPolarHBondContact O-CG1 3.48Å; V236-I240 PolarHBondContact O-N 2.89Å |
| 237 | R | 88.6 | Confident | 83.7 | Confident | 69 Ų | 69 | 61.3 Ų | 61.3 | 26% | 0.26 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.5 | -46.9 | 175.2 | -74.8 | -176 | 177.2 | 130.6 | -7.9 | 112.2 | V172 E173 N175 R233 A234 M239 I240 I241 | V172-R237 HydrophobicContact CG1-CB 3.93Å; V172-R237 HydrophobicContact CG1-CG 3.87Å; V172-R237 WeakPolarHBondContact O-CD 3.42Å; V172-R237 PolarHBondContact O-NE 3.13Å; E173-R237 PolarHBondContact O-NH2 2.91Å; N175-R237 PolarHBondContact O-NE 3.01Å; N175-R237 PolarHBondContact O-NH2 2.99Å; R233-R237 PolarHBondContact O-N 2.96Å; A234-R237 PolarHBondContact O-N 3.01Å; R237-M239 VanDerWaalsContact C-N 3.34Å; R237-M239 PolarHBondContact O-N 3.47Å; R237-I240 WeakPolarHBondContact O-CB 3.32Å; R237-I240 PolarHBondContact O-N 3.1Å; R237-I241 WeakPolarHBondContact O-CG1 3.23Å; R237-I241 PolarHBondContact O-N 3.49Å |
| 238 | Q | 89 | Confident | 85.6 | Confident | 101 Ų | 101 | 55.5 Ų | 55.5 | 47% | 0.472 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.2 | -43.2 | 177 | -167.7 | 65 | 54.2 | 0 | 0 | 111.5 | A234 V236 I240 I241 D242 | A234-Q238 PolarHBondContact O-N 2.81Å; V236-Q238 VanDerWaalsContact C-N 3.34Å; V236-Q238 PolarHBondContact O-N 2.82Å; Q238-I240 VanDerWaalsContact C-N 3.33Å; Q238-I240 PolarHBondContact O-N 3Å; Q238-I241 PolarHBondContact O-N 3.01Å; Q238-I241 VanDerWaalsContact O-N 3.16Å; Q238-D242 PolarHBondContact NE2-OD1 2.66Å; Q238-D242 WeakPolarHBondContact O-CB 3.45Å; Q238-D242 PolarHBondContact O-N 3.07Å |
| 239 | M | 86.3 | Confident | 86.9 | Confident | 46 Ų | 46 | 59.1 Ų | 59.1 | 23% | 0.227 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.1 | -34.2 | 177.5 | -173.5 | 174.1 | -73.8 | 0 | 0 | 113.1 | M189 Q192 I193 S235 V236 R237 S243 | M189-M239 HydrophobicContact CB-SD 3.62Å; M189-M239 HydrophobicContact CG-CG 4.17Å; M189-M239 HydrophobicContact CG-SD 3.66Å; M189-M239 HydrophobicContact SD-CB 4.31Å; M189-M239 HydrophobicContact SD-CG 4.03Å; M189-M239 HydrophobicContact SD-SD 4.27Å; Q192-M239 HydrophobicContact CB-CE 3.91Å; Q192-M239 HydrophobicContact CB-SD 4.17Å; I193-M239 HydrophobicContact CD1-CE 4.39Å; I193-M239 HydrophobicContact CG1-CE 3.73Å; I193-M239 HydrophobicContact CG1-SD 4.45Å; S235-M239 WeakPolarHBondContact O-CB 3.44Å; S235-M239 PolarHBondContact O-N 3.15Å; V236-M239 PolarHBondContact O-N 2.97Å; V236-M239 VanDerWaalsContact O-N 3.14Å; R237-M239 VanDerWaalsContact C-N 3.34Å; R237-M239 PolarHBondContact O-N 3.47Å; M239-S243 WeakPolarHBondContact O-CB 3.43Å; M239-S243 PolarHBondContact O-N 3.46Å; M239-S243 VanDerWaalsContact O-N 3.14Å |
| 240 | I | 87.8 | Confident | 87.7 | Confident | 2 Ų | 2 | 57.6 Ų | 57.6 | 1% | 0.01 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.8 | -50.5 | 170.6 | -65 | 167 | 0 | 0 | 0 | 110 | F168 V172 P177 L181 M189 V236 R237 Q238 S243 R244 | F168-I240 HydrophobicContact CE1-CG2 4.29Å; F168-I240 HydrophobicContact CZ-CG2 3.68Å; V172-I240 HydrophobicContact CG1-CB 4.4Å; V172-I240 HydrophobicContact CG1-CD1 4.43Å; V172-I240 HydrophobicContact CG1-CG2 4.3Å; V172-I240 HydrophobicContact CG2-CG2 3.86Å; P177-I240 HydrophobicContact CB-CD1 4.13Å; L181-I240 HydrophobicContact CD1-CD1 3.77Å; L181-I240 HydrophobicContact CD1-CG1 3.96Å; L181-I240 HydrophobicContact CD2-CD1 4.13Å; L181-I240 HydrophobicContact CD2-CG1 4.16Å; L181-I240 HydrophobicContact CG-CD1 3.87Å; L181-I240 HydrophobicContact CG-CG1 4.3Å; M189-I240 HydrophobicContact CE-CG1 4Å; M189-I240 HydrophobicContact SD-CG1 3.66Å; V236-I240 HydrophobicContact CG1-CD1 4.07Å; V236-I240 HydrophobicContact CG1-CG1 4.38Å; V236-I240 WeakPolarHBondContact O-CG1 3.48Å; V236-I240 PolarHBondContact O-N 2.89Å; R237-I240 WeakPolarHBondContact O-CB 3.32Å; R237-I240 PolarHBondContact O-N 3.1Å; Q238-I240 VanDerWaalsContact C-N 3.33Å; Q238-I240 PolarHBondContact O-N 3Å; I240-S243 PolarHBondContact O-N 3.33Å; I240-R244 WeakPolarHBondContact O-CD 3.36Å; I240-R244 PolarHBondContact O-N 2.76Å; I240-R244 VanDerWaalsContact O-N 3.14Å |
| 241 | I | 90.8 | Very high | 88.3 | Confident | 27 Ų | 27 | 52.2 Ų | 52.2 | 14% | 0.138 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -55 | -178.4 | -66.1 | 166.8 | 0 | 0 | 0 | 110.1 | W165 V172 R237 Q238 S243 R244 E245 | W165-I241 HydrophobicContact CH2-CG2 4Å; W165-I241 HydrophobicContact CZ2-CG2 4.02Å; V172-I241 HydrophobicContact CG1-CD1 4.19Å; V172-I241 HydrophobicContact CG1-CG1 4.09Å; R237-I241 WeakPolarHBondContact O-CG1 3.23Å; R237-I241 PolarHBondContact O-N 3.49Å; Q238-I241 PolarHBondContact O-N 3.01Å; Q238-I241 VanDerWaalsContact O-N 3.16Å; I241-S243 VanDerWaalsContact C-N 3.28Å; I241-S243 PolarHBondContact O-N 2.79Å; I241-R244 CarbonylContact O-C 3.27Å; I241-R244 PolarHBondContact O-N 3.12Å; I241-E245 WeakPolarHBondContact O-CB 3.35Å; I241-E245 PolarHBondContact O-N 3.25Å |
| 242 | D | 90.9 | Very high | 88.9 | Confident | 82 Ų | 82 | 53.2 Ų | 53.2 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -54 | -43.7 | 179.6 | -64.9 | -11 | 0 | 0 | 0 | 112 | Q238 R244 Q246 | Q238-D242 PolarHBondContact NE2-OD1 2.66Å; Q238-D242 WeakPolarHBondContact O-CB 3.45Å; Q238-D242 PolarHBondContact O-N 3.07Å; D242-R244 VanDerWaalsContact C-N 3.35Å; D242-R244 PolarHBondContact O-N 3.09Å; D242-Q246 PolarHBondContact O-N 3.12Å |
| 243 | S | 88.3 | Confident | 89.5 | Confident | 50 Ų | 50 | 57.8 Ų | 57.8 | 35% | 0.35 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 179 | 169.7 | 0 | 0 | 0 | 0 | 112.7 | M239 I240 I241 | M239-S243 WeakPolarHBondContact O-CB 3.43Å; M239-S243 PolarHBondContact O-N 3.46Å; M239-S243 VanDerWaalsContact O-N 3.14Å; I240-S243 PolarHBondContact O-N 3.33Å; I241-S243 VanDerWaalsContact C-N 3.28Å; I241-S243 PolarHBondContact O-N 2.79Å |
| 244 | R | 91.4 | Very high | 89.8 | Confident | 34 Ų | 34 | 58 Ų | 58 | 13% | 0.128 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -89.8 | -25.4 | -177.4 | -82.2 | 55 | 168.6 | 174.1 | -4.4 | 111.9 | L154 W165 F168 E185 I240 I241 D242 Q246 I247 Y248 | L154-R244 HydrophobicContact CD1-CB 4.18Å; W165-R244 HydrophobicContact CZ3-CB 4.15Å; F168-R244 HydrophobicContact CE1-CB 3.72Å; F168-R244 HydrophobicContact CE1-CG 4.04Å; F168-R244 HydrophobicContact CZ-CB 4.06Å; F168-R244 HydrophobicContact CZ-CG 3.83Å; E185-R244 IonicContact OE1-CZ 3.81Å; E185-R244 IonicContact OE1-NH1 3.26Å; E185-R244 IonicContact OE1-NH2 2.67Å; E185-R244 PolarHBondContact OE1-NH2 3.41Å; I240-R244 WeakPolarHBondContact O-CD 3.36Å; I240-R244 PolarHBondContact O-N 2.76Å; I240-R244 VanDerWaalsContact O-N 3.14Å; I241-R244 CarbonylContact O-C 3.27Å; I241-R244 PolarHBondContact O-N 3.12Å; D242-R244 VanDerWaalsContact C-N 3.35Å; D242-R244 PolarHBondContact O-N 3.09Å; R244-Q246 VanDerWaalsContact C-N 3.28Å; R244-Q246 PolarHBondContact O-N 3.27Å; R244-I247 WeakPolarHBondContact O-CB 3.2Å; R244-I247 PolarHBondContact O-N 2.68Å; R244-I247 VanDerWaalsContact O-N 3.15Å; R244-Y248 PolarHBondContact O-N 2.67Å |
| 245 | E | 92.4 | Very high | 90.1 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 25% | 0.252 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 172 | -158.2 | -154.9 | 160.5 | 0 | 0 | 110.7 | W165 I241 I247 Y248 R249 | W165-E245 VanDerWaalsContact CH2-CA 3.4Å; W165-E245 HydrophobicContact CH2-CB 3.51Å; W165-E245 HydrophobicContact CH2-CG 3.88Å; W165-E245 HydrophobicContact CZ2-CB 3.81Å; W165-E245 HydrophobicContact CZ2-CG 3.66Å; W165-E245 HydrophobicContact CZ3-CB 4.36Å; I241-E245 WeakPolarHBondContact O-CB 3.35Å; I241-E245 PolarHBondContact O-N 3.25Å; E245-I247 VanDerWaalsContact C-N 3.27Å; E245-I247 PolarHBondContact O-N 2.75Å; E245-Y248 PolarHBondContact O-N 3.05Å; E245-R249 HydrophobicContact CG-CG 4.41Å; E245-R249 WeakPolarHBondContact O-CB 3.39Å; E245-R249 VanDerWaalsContact O-CG 3.23Å; E245-R249 WeakPolarHBondContact O-CG 3.45Å; E245-R249 PolarHBondContact O-N 3.43Å; E245-R249 IonicContact OE1-CZ 2.7Å; E245-R249 IonicContact OE1-NE 2.78Å; E245-R249 PolarHBondContact OE1-NE 2.94Å; E245-R249 IonicContact OE1-NH2 3.32Å; E245-R249 PolarHBondContact OE1-NH2 3.17Å; E245-R249 IonicContact OE2-CZ 2.94Å; E245-R249 VanDerWaalsContact OE2-CZ 3.31Å; E245-R249 IonicContact OE2-NE 2.7Å; E245-R249 IonicContact OE2-NH2 3.97Å; E245-R249 PolarHBondContact OE2-NH2 3.22Å |
| 246 | Q | 91.5 | Very high | 90.5 | Very high | 119 Ų | 119 | 56.1 Ų | 56.1 | 56% | 0.556 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -64.5 | -31.4 | 176.8 | -173.5 | 56.6 | 28.1 | 0 | 0 | 112.9 | D242 R244 | D242-Q246 PolarHBondContact O-N 3.12Å; R244-Q246 VanDerWaalsContact C-N 3.28Å; R244-Q246 PolarHBondContact O-N 3.27Å |
| 247 | I | 91.1 | Very high | 90.8 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 32% | 0.323 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -71.6 | -51.5 | 172 | -55.6 | 174.2 | 0 | 0 | 0 | 109.2 | R244 E245 R249 A250 T251 | R244-I247 WeakPolarHBondContact O-CB 3.2Å; R244-I247 PolarHBondContact O-N 2.68Å; R244-I247 VanDerWaalsContact O-N 3.15Å; E245-I247 VanDerWaalsContact C-N 3.27Å; E245-I247 PolarHBondContact O-N 2.75Å; I247-R249 VanDerWaalsContact C-N 3.32Å; I247-R249 PolarHBondContact O-N 2.74Å; I247-A250 WeakPolarHBondContact O-CB 3.33Å; I247-A250 PolarHBondContact O-N 3.47Å; I247-T251 PolarHBondContact O-N 2.83Å; I247-T251 PolarHBondContact O-OG1 3.03Å |
| 248 | Y | 91.5 | Very high | 91.1 | Very high | 36 Ų | 36 | 58.6 Ų | 58.6 | 14% | 0.141 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -53.8 | -43.3 | 178.3 | 171.9 | -105.9 | 0 | 0 | 0 | 113 | L154 Y161 W165 R244 E245 A250 T251 Y252 | L154-Y248 HydrophobicContact CD2-CD2 4.06Å; Y161-Y248 AromaticContact CD2-CE2 3.78Å; Y161-Y248 HydrophobicContact CD2-CE2 3.78Å; Y161-Y248 AromaticContact CD2-CZ 3.99Å; Y161-Y248 WeakPolarHBondContact CD2-OH 3.28Å; W165-Y248 HydrophobicContact CB-CD2 3.9Å; W165-Y248 HydrophobicContact CB-CE1 4.45Å; W165-Y248 HydrophobicContact CB-CE2 3.53Å; W165-Y248 HydrophobicContact CB-CG 4.49Å; W165-Y248 AromaticContact CD2-CD1 3.96Å; W165-Y248 HydrophobicContact CD2-CD1 3.96Å; W165-Y248 HydrophobicContact CD2-CD2 4.22Å; W165-Y248 HydrophobicContact CD2-CE1 4.25Å; W165-Y248 HydrophobicContact CD2-CE2 4.48Å; W165-Y248 AromaticContact CD2-CG 3.94Å; W165-Y248 HydrophobicContact CD2-CG 3.94Å; W165-Y248 HydrophobicContact CE3-CD1 4.28Å; W165-Y248 HydrophobicContact CE3-CD2 4.2Å; W165-Y248 AromaticContact CE3-CG 3.87Å; W165-Y248 HydrophobicContact CE3-CG 3.87Å; W165-Y248 HydrophobicContact CG-CD1 4.16Å; W165-Y248 HydrophobicContact CG-CD2 4.11Å; W165-Y248 AromaticContact CG-CE1 3.98Å; W165-Y248 HydrophobicContact CG-CE1 3.98Å; W165-Y248 AromaticContact CG-CE2 3.92Å; W165-Y248 HydrophobicContact CG-CE2 3.92Å; W165-Y248 HydrophobicContact CG-CG 4.22Å; W165-Y248 AromaticContact CG-CZ 3.85Å; R244-Y248 PolarHBondContact O-N 2.67Å; E245-Y248 PolarHBondContact O-N 3.05Å; Y248-A250 VanDerWaalsContact C-N 3.33Å; Y248-A250 PolarHBondContact O-N 3.43Å; Y248-T251 PolarHBondContact O-N 2.91Å; Y248-Y252 WeakPolarHBondContact O-CB 3.23Å; Y248-Y252 PolarHBondContact O-N 3.19Å |
| 249 | R | 92.2 | Very high | 91.3 | Very high | 121 Ų | 121 | 57.9 Ų | 57.9 | 46% | 0.457 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -60 | -38.2 | 174.8 | -74.5 | 168.4 | 179 | 175 | 1.9 | 112.7 | E245 I247 M253 | E245-R249 HydrophobicContact CG-CG 4.41Å; E245-R249 WeakPolarHBondContact O-CB 3.39Å; E245-R249 VanDerWaalsContact O-CG 3.23Å; E245-R249 WeakPolarHBondContact O-CG 3.45Å; E245-R249 PolarHBondContact O-N 3.43Å; E245-R249 IonicContact OE1-CZ 2.7Å; E245-R249 IonicContact OE1-NE 2.78Å; E245-R249 PolarHBondContact OE1-NE 2.94Å; E245-R249 IonicContact OE1-NH2 3.32Å; E245-R249 PolarHBondContact OE1-NH2 3.17Å; E245-R249 IonicContact OE2-CZ 2.94Å; E245-R249 VanDerWaalsContact OE2-CZ 3.31Å; E245-R249 IonicContact OE2-NE 2.7Å; E245-R249 IonicContact OE2-NH2 3.97Å; E245-R249 PolarHBondContact OE2-NH2 3.22Å; I247-R249 VanDerWaalsContact C-N 3.32Å; I247-R249 PolarHBondContact O-N 2.74Å; R249-M253 WeakPolarHBondContact O-CG 3.44Å; R249-M253 PolarHBondContact O-N 2.76Å |
| 250 | A | 91.4 | Very high | 91.6 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 41% | 0.413 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -71.6 | -39.2 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | I247 Y248 M253 Q254 | I247-A250 WeakPolarHBondContact O-CB 3.33Å; I247-A250 PolarHBondContact O-N 3.47Å; Y248-A250 VanDerWaalsContact C-N 3.33Å; Y248-A250 PolarHBondContact O-N 3.43Å; A250-M253 PolarHBondContact O-N 2.92Å; A250-Q254 PolarHBondContact O-N 3.41Å |
| 251 | T | 91.1 | Very high | 92 | Very high | 5 Ų | 5 | 63.4 Ų | 63.4 | 3% | 0.031 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 111.8 | L154 S155 I156 I247 Y248 M253 Q254 I255 | L154-T251 WeakPolarHBondContact O-CB 3.27Å; L154-T251 PolarHBondContact O-OG1 3.16Å; S155-T251 WeakPolarHBondContact CA-OG1 3.06Å; I156-T251 VanDerWaalsContact C-CG2 3.44Å; I156-T251 VanDerWaalsContact O-CG2 3.26Å; I156-T251 WeakPolarHBondContact O-CG2 3.42Å; I247-T251 PolarHBondContact O-N 2.83Å; I247-T251 PolarHBondContact O-OG1 3.03Å; Y248-T251 PolarHBondContact O-N 2.91Å; T251-M253 VanDerWaalsContact C-N 3.3Å; T251-M253 PolarHBondContact O-N 3.36Å; T251-Q254 CarbonylContact O-C 3.11Å; T251-Q254 WeakPolarHBondContact O-CA 3.3Å; T251-Q254 WeakPolarHBondContact O-CB 3.24Å; T251-Q254 PolarHBondContact O-N 3.34Å; T251-I255 HydrophobicContact CG2-CD1 4.11Å; T251-I255 HydrophobicContact CG2-CG1 4.47Å; T251-I255 WeakPolarHBondContact O-CG1 3.45Å; T251-I255 PolarHBondContact O-N 3.43Å |
| 252 | Y | 92.3 | Very high | 92.1 | Very high | 89 Ų | 89 | 62.2 Ų | 62.2 | 35% | 0.349 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -54 | -43.8 | 174.1 | 173.8 | -101.9 | 0 | 0 | 0 | 112.3 | Y161 Y248 Q254 I255 M256 | Y161-Y252 HydrophobicContact CD2-CD2 4.34Å; Y161-Y252 AromaticContact CE2-CD2 3.62Å; Y161-Y252 HydrophobicContact CE2-CD2 3.62Å; Y161-Y252 HydrophobicContact CE2-CE2 4.03Å; Y248-Y252 WeakPolarHBondContact O-CB 3.23Å; Y248-Y252 PolarHBondContact O-N 3.19Å; Y252-Q254 PolarHBondContact O-N 2.94Å; Y252-I255 PolarHBondContact O-N 3.38Å; Y252-I255 VanDerWaalsContact O-N 3.15Å; Y252-M256 HydrophobicContact CD1-CG 4.28Å; Y252-M256 HydrophobicContact CD2-CE 4.38Å; Y252-M256 HydrophobicContact CD2-CG 4.23Å; Y252-M256 HydrophobicContact CE1-CG 3.87Å; Y252-M256 HydrophobicContact CE2-CE 3.86Å; Y252-M256 HydrophobicContact CE2-CG 3.82Å; Y252-M256 HydrophobicContact CE2-SD 3.88Å; Y252-M256 HydrophobicContact CG-CG 4.46Å; Y252-M256 WeakPolarHBondContact O-CG 3.36Å; Y252-M256 PolarHBondContact O-N 3.29Å |
| 253 | M | 92.4 | Very high | 92.2 | Very high | 117 Ų | 117 | 65 Ų | 65 | 58% | 0.576 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -69.9 | -17.3 | 175.6 | -60.9 | -61.7 | 176.1 | 0 | 0 | 113.7 | R249 A250 T251 R257 | R249-M253 WeakPolarHBondContact O-CG 3.44Å; R249-M253 PolarHBondContact O-N 2.76Å; A250-M253 PolarHBondContact O-N 2.92Å; T251-M253 VanDerWaalsContact C-N 3.3Å; T251-M253 PolarHBondContact O-N 3.36Å; M253-R257 PolarHBondContact O-NE 3.19Å |
| 254 | Q | 91.1 | Very high | 92.5 | Very high | 41 Ų | 41 | 65.6 Ų | 65.6 | 19% | 0.192 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -84.5 | -32.1 | 169.9 | -65.4 | 175.9 | 57.1 | 0 | 0 | 112.1 | A250 T251 Y252 R258 R332 | A250-Q254 PolarHBondContact O-N 3.41Å; T251-Q254 CarbonylContact O-C 3.11Å; T251-Q254 WeakPolarHBondContact O-CA 3.3Å; T251-Q254 WeakPolarHBondContact O-CB 3.24Å; T251-Q254 PolarHBondContact O-N 3.34Å; Y252-Q254 PolarHBondContact O-N 2.94Å; Q254-R258 WeakPolarHBondContact O-CD 3.33Å; Q254-R258 WeakPolarHBondContact O-CG 3.48Å; Q254-R258 PolarHBondContact O-NH1 2.83Å; Q254-R332 VanDerWaalsContact OE1-CZ 3.28Å |
| 255 | I | 92 | Very high | 92.5 | Very high | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -70.3 | -50.7 | 174.8 | -65.4 | 167.3 | 0 | 0 | 0 | 110.4 | F124 P157 Y161 T251 Y252 R257 R258 W259 | F124-I255 HydrophobicContact CE2-CG2 4.12Å; F124-I255 HydrophobicContact CZ-CG2 4.19Å; P157-I255 HydrophobicContact CB-CD1 4.41Å; P157-I255 HydrophobicContact CB-CG1 3.46Å; P157-I255 VanDerWaalsContact CB-CG1 3.46Å; Y161-I255 HydrophobicContact CD1-CD1 3.75Å; Y161-I255 HydrophobicContact CD1-CG2 4.11Å; Y161-I255 HydrophobicContact CD2-CD1 4.07Å; Y161-I255 HydrophobicContact CE1-CG2 4.11Å; Y161-I255 HydrophobicContact CG-CD1 3.46Å; Y161-I255 VanDerWaalsContact CG-CD1 3.46Å; T251-I255 HydrophobicContact CG2-CD1 4.11Å; T251-I255 HydrophobicContact CG2-CG1 4.47Å; T251-I255 WeakPolarHBondContact O-CG1 3.45Å; T251-I255 PolarHBondContact O-N 3.43Å; Y252-I255 PolarHBondContact O-N 3.38Å; Y252-I255 VanDerWaalsContact O-N 3.15Å; I255-R257 PolarHBondContact O-N 2.99Å; I255-R257 VanDerWaalsContact O-N 3.13Å; I255-R258 CarbonylContact O-C 3.2Å; I255-R258 WeakPolarHBondContact O-CA 3.39Å; I255-R258 PolarHBondContact O-N 3.4Å; I255-W259 HydrophobicContact CG2-CE3 4.02Å; I255-W259 PolarHBondContact O-N 2.98Å |
| 256 | M | 92.5 | Very high | 92.5 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 35% | 0.35 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.3 | -30.3 | -177.4 | -68.8 | -65.3 | 100.7 | 0 | 0 | 113.4 | Y252 W259 | Y252-M256 HydrophobicContact CD1-CG 4.28Å; Y252-M256 HydrophobicContact CD2-CE 4.38Å; Y252-M256 HydrophobicContact CD2-CG 4.23Å; Y252-M256 HydrophobicContact CE1-CG 3.87Å; Y252-M256 HydrophobicContact CE2-CE 3.86Å; Y252-M256 HydrophobicContact CE2-CG 3.82Å; Y252-M256 HydrophobicContact CE2-SD 3.88Å; Y252-M256 HydrophobicContact CG-CG 4.46Å; Y252-M256 WeakPolarHBondContact O-CG 3.36Å; Y252-M256 PolarHBondContact O-N 3.29Å; M256-W259 HydrophobicContact CE-CE3 4.49Å |
| 257 | R | 93.1 | Very high | 92.4 | Very high | 113 Ų | 113 | 66 Ų | 66 | 43% | 0.426 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -73.7 | -27.5 | 173.6 | -72.4 | -175 | -74.4 | 157.8 | 0.9 | 113.9 | M253 I255 F289 E293 | M253-R257 PolarHBondContact O-NE 3.19Å; I255-R257 PolarHBondContact O-N 2.99Å; I255-R257 VanDerWaalsContact O-N 3.13Å; R257-F289 HydrophobicContact CB-CZ 3.93Å; R257-E293 IonicContact CZ-OE1 3.01Å; R257-E293 IonicContact CZ-OE2 2.65Å; R257-E293 IonicContact NH1-OE1 3.69Å; R257-E293 PolarHBondContact NH1-OE1 3.47Å; R257-E293 IonicContact NH1-OE2 3.76Å; R257-E293 PolarHBondContact NH1-OE2 3.23Å; R257-E293 IonicContact NH2-OE2 2.67Å |
| 258 | R | 94.4 | Very high | 92.5 | Very high | 10 Ų | 10 | 65.3 Ų | 65.3 | 4% | 0.038 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -93.6 | -27.6 | -178.6 | -70 | 171.6 | 174 | 71 | 12.5 | 113.2 | Q254 I255 Y260 F261 E262 Y286 F289 E290 | Q254-R258 WeakPolarHBondContact O-CD 3.33Å; Q254-R258 WeakPolarHBondContact O-CG 3.48Å; Q254-R258 PolarHBondContact O-NH1 2.83Å; I255-R258 CarbonylContact O-C 3.2Å; I255-R258 WeakPolarHBondContact O-CA 3.39Å; I255-R258 PolarHBondContact O-N 3.4Å; R258-Y260 VanDerWaalsContact C-N 3.28Å; R258-Y260 PolarHBondContact O-N 3.36Å; R258-F261 PolarHBondContact O-N 3.23Å; R258-E262 PolarHBondContact O-N 3.38Å; R258-E262 VanDerWaalsContact O-N 3.09Å; R258-Y286 HydrophobicContact CG-CE2 4.22Å; R258-F289 HydrophobicContact CG-CE1 4.11Å; R258-E290 IonicContact CZ-OE1 2.87Å; R258-E290 IonicContact CZ-OE2 3.55Å; R258-E290 IonicContact NE-OE1 2.8Å; R258-E290 PolarHBondContact NE-OE1 3.36Å; R258-E290 IonicContact NE-OE2 2.75Å; R258-E290 VanDerWaalsContact NH2-CD 3.27Å; R258-E290 IonicContact NH2-OE1 3.87Å; R258-E290 PolarHBondContact NH2-OE1 3.34Å; R258-E290 IonicContact NH2-OE2 3.64Å; R258-E290 PolarHBondContact NH2-OE2 3.22Å |
| 259 | W | 93 | Very high | 92.4 | Very high | 85 Ų | 85 | 68.7 Ų | 68.7 | 32% | 0.322 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -51.1 | -44.3 | -174 | -172 | -81 | 0 | 0 | 0 | 113.3 | F124 Y161 I255 M256 F261 E262 E263 | F124-W259 AromaticContact CZ-CE3 3.97Å; F124-W259 HydrophobicContact CZ-CE3 3.97Å; F124-W259 HydrophobicContact CZ-CZ3 4.21Å; Y161-W259 HydrophobicContact CE1-CZ3 4.26Å; I255-W259 HydrophobicContact CG2-CE3 4.02Å; I255-W259 PolarHBondContact O-N 2.98Å; M256-W259 HydrophobicContact CE-CE3 4.49Å; W259-F261 PolarHBondContact O-N 2.71Å; W259-E262 PolarHBondContact O-N 2.89Å; W259-E263 PolarHBondContact NE1-OE2 3.36Å; W259-E263 WeakPolarHBondContact O-CB 3.41Å; W259-E263 PolarHBondContact O-N 3.08Å |
| 260 | Y | 92.3 | Very high | 92.4 | Very high | 141 Ų | 141 | 63.8 Ų | 63.8 | 55% | 0.553 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -54.4 | -35.1 | 177.5 | 176.4 | -101.1 | 0 | 0 | 0 | 113.8 | R258 K264 | R258-Y260 VanDerWaalsContact C-N 3.28Å; R258-Y260 PolarHBondContact O-N 3.36Å; Y260-K264 VanDerWaalsContact CZ-CE 3.44Å; Y260-K264 WeakPolarHBondContact O-CD 3.29Å; Y260-K264 WeakPolarHBondContact O-CG 3.36Å; Y260-K264 WeakPolarHBondContact OH-CE 3.26Å; Y260-K264 PolarHBondContact OH-NZ 3.14Å |
| 261 | F | 95.3 | Very high | 92.3 | Very high | 23 Ų | 23 | 64 Ų | 64 | 10% | 0.101 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -85.2 | -42.8 | 177.7 | -57 | -72.1 | 0 | 0 | 0 | 111.6 | R258 W259 K264 I265 N282 E285 Y286 F289 | R258-F261 PolarHBondContact O-N 3.23Å; W259-F261 PolarHBondContact O-N 2.71Å; F261-K264 PolarHBondContact O-N 3.47Å; F261-I265 WeakPolarHBondContact O-CG1 3.37Å; F261-I265 PolarHBondContact O-N 3.22Å; F261-N282 PolarHBondContact O-ND2 3.23Å; F261-E285 HydrophobicContact CD1-CB 4.48Å; F261-E285 HydrophobicContact CE1-CB 3.91Å; F261-Y286 HydrophobicContact CB-CD1 3.6Å; F261-Y286 HydrophobicContact CB-CD2 3.78Å; F261-Y286 HydrophobicContact CB-CE1 4.04Å; F261-Y286 HydrophobicContact CB-CE2 4.23Å; F261-Y286 HydrophobicContact CB-CG 3.46Å; F261-Y286 VanDerWaalsContact CB-CG 3.46Å; F261-Y286 HydrophobicContact CD1-CG 4.25Å; F261-Y286 AromaticContact CD2-CD2 3.68Å; F261-Y286 HydrophobicContact CD2-CD2 3.68Å; F261-Y286 HydrophobicContact CD2-CE2 4.19Å; F261-Y286 HydrophobicContact CD2-CG 4.14Å; F261-Y286 HydrophobicContact CE2-CD2 4.41Å; F261-Y286 HydrophobicContact CG-CD1 4.36Å; F261-Y286 AromaticContact CG-CD2 3.75Å; F261-Y286 HydrophobicContact CG-CD2 3.75Å; F261-Y286 HydrophobicContact CG-CE2 4.47Å; F261-Y286 AromaticContact CG-CG 3.7Å; F261-Y286 HydrophobicContact CG-CG 3.7Å; F261-F289 HydrophobicContact CD2-CD1 4.36Å; F261-F289 HydrophobicContact CE2-CB 3.99Å; F261-F289 AromaticContact CE2-CD1 3.93Å; F261-F289 HydrophobicContact CE2-CD1 3.93Å; F261-F289 HydrophobicContact CE2-CD2 4.23Å; F261-F289 AromaticContact CE2-CG 3.75Å; F261-F289 HydrophobicContact CE2-CG 3.75Å; F261-F289 HydrophobicContact CZ-CB 4.03Å; F261-F289 HydrophobicContact CZ-CG 4.23Å |
| 262 | E | 94.6 | Very high | 92 | Very high | 2 Ų | 2 | 64.3 Ų | 64.3 | 1% | 0.009 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -66.1 | -37 | -178.1 | -71.1 | -71.4 | 168.5 | 0 | 0 | 113.2 | F124 R125 R258 W259 K264 I265 Y286 R339 | F124-E262 HydrophobicContact CB-CG 4.22Å; F124-E262 HydrophobicContact CD1-CB 3.74Å; F124-E262 HydrophobicContact CD1-CG 3.57Å; F124-E262 HydrophobicContact CD2-CG 4.12Å; F124-E262 HydrophobicContact CE1-CB 3.72Å; F124-E262 HydrophobicContact CE1-CG 3.9Å; F124-E262 HydrophobicContact CE2-CG 4.42Å; F124-E262 HydrophobicContact CG-CB 4.38Å; F124-E262 HydrophobicContact CG-CG 3.69Å; F124-E262 HydrophobicContact CZ-CB 4.35Å; F124-E262 HydrophobicContact CZ-CG 4.32Å; R125-E262 IonicContact CZ-OE2 2.77Å; R125-E262 IonicContact NH1-OE2 3.89Å; R125-E262 PolarHBondContact NH1-OE2 3.35Å; R125-E262 PolarHBondContact NH2-O 3.45Å; R125-E262 IonicContact NH2-OE2 2.9Å; R258-E262 PolarHBondContact O-N 3.38Å; R258-E262 VanDerWaalsContact O-N 3.09Å; W259-E262 PolarHBondContact O-N 2.89Å; E262-K264 VanDerWaalsContact C-N 3.31Å; E262-K264 PolarHBondContact O-N 3.43Å; E262-I265 PolarHBondContact O-N 2.95Å; E262-Y286 HydrophobicContact CG-CE1 4.18Å; E262-Y286 WeakPolarHBondContact OE1-CE1 3.23Å; E262-Y286 PolarHBondContact OE1-OH 2.77Å; E262-R339 VanDerWaalsContact CD-NH2 3.32Å; E262-R339 IonicContact OE1-CZ 3.6Å; E262-R339 VanDerWaalsContact OE1-CZ 3.27Å; E262-R339 IonicContact OE1-NH1 2.65Å; E262-R339 PolarHBondContact OE1-NH1 2.7Å; E262-R339 IonicContact OE1-NH2 2.73Å; E262-R339 PolarHBondContact OE1-NH2 3.36Å; E262-R339 IonicContact OE2-CZ 3.09Å; E262-R339 IonicContact OE2-NH2 3.18Å; E262-R339 PolarHBondContact OE2-NH2 3.43Å |
| 263 | E | 92.7 | Very high | 91.7 | Very high | 140 Ų | 140 | 65.8 Ų | 65.8 | 65% | 0.654 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -33.1 | 176.6 | -173.1 | 178.2 | 162.3 | 0 | 0 | 112 | W259 I265 | W259-E263 PolarHBondContact NE1-OE2 3.36Å; W259-E263 WeakPolarHBondContact O-CB 3.41Å; W259-E263 PolarHBondContact O-N 3.08Å; E263-I265 VanDerWaalsContact C-N 3.32Å; E263-I265 PolarHBondContact O-N 2.81Å |
| 264 | K | 93.2 | Very high | 91.3 | Very high | 63 Ų | 63 | 62.4 Ų | 62.4 | 27% | 0.274 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -17.4 | 175.7 | -73.5 | 171.3 | 173.8 | -177.5 | 0 | 113.5 | Y260 F261 E262 R266 N282 E285 | Y260-K264 VanDerWaalsContact CZ-CE 3.44Å; Y260-K264 WeakPolarHBondContact O-CD 3.29Å; Y260-K264 WeakPolarHBondContact O-CG 3.36Å; Y260-K264 WeakPolarHBondContact OH-CE 3.26Å; Y260-K264 PolarHBondContact OH-NZ 3.14Å; F261-K264 PolarHBondContact O-N 3.47Å; E262-K264 VanDerWaalsContact C-N 3.31Å; E262-K264 PolarHBondContact O-N 3.43Å; K264-R266 VanDerWaalsContact C-N 3.33Å; K264-R266 PolarHBondContact O-N 2.81Å; K264-N282 HydrophobicContact CB-CB 4.35Å; K264-N282 HydrophobicContact CD-CB 4.22Å; K264-N282 WeakPolarHBondContact CD-OD1 3.21Å; K264-E285 IonicContact NZ-OE2 3.9Å |
| 265 | I | 93.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 61.1 Ų | 61.1 | 4% | 0.041 | 27% | 0.266 | C | S | . | . | trans | -77 | 84.6 | 179.4 | -61.6 | 167 | 0 | 0 | 0 | 109.5 | F261 E262 E263 R267 P268 W283 Y286 | F261-I265 WeakPolarHBondContact O-CG1 3.37Å; F261-I265 PolarHBondContact O-N 3.22Å; E262-I265 PolarHBondContact O-N 2.95Å; E263-I265 VanDerWaalsContact C-N 3.32Å; E263-I265 PolarHBondContact O-N 2.81Å; I265-R267 VanDerWaalsContact C-N 3.32Å; I265-R267 PolarHBondContact O-N 3.26Å; I265-P268 HydrophobicContact CG2-CB 3.91Å; I265-W283 HydrophobicContact CD1-CD2 4.5Å; I265-W283 HydrophobicContact CD1-CE3 4.3Å; I265-W283 HydrophobicContact CD1-CH2 3.78Å; I265-W283 HydrophobicContact CD1-CZ2 3.97Å; I265-W283 HydrophobicContact CD1-CZ3 3.95Å; I265-W283 HydrophobicContact CG1-CZ2 4.2Å; I265-W283 HydrophobicContact CG2-CH2 4.32Å; I265-W283 HydrophobicContact CG2-CZ2 3.7Å; I265-Y286 HydrophobicContact CD1-CD1 4.16Å; I265-Y286 HydrophobicContact CD1-CE1 4.17Å | ||
| 266 | R | 91.6 | Very high | 90.9 | Very high | 178 Ų | 178 | 65.6 Ų | 65.6 | 67% | 0.672 | 29% | 0.286 | S | S | * | . | S | Bend | trans | -66.9 | -30.1 | 177.3 | -66.4 | 173.8 | 171.4 | 179 | -7.8 | 113.4 | K264 E276 | K264-R266 VanDerWaalsContact C-N 3.33Å; K264-R266 PolarHBondContact O-N 2.81Å; R266-E276 IonicContact CZ-OE2 3.64Å; R266-E276 IonicContact NH1-OE1 3.84Å; R266-E276 PolarHBondContact NH1-OE1 2.76Å; R266-E276 VanDerWaalsContact NH1-OE1 3.16Å; R266-E276 IonicContact NH1-OE2 2.72Å; R266-E276 PolarHBondContact NH1-OE2 3.17Å |
| 267 | R | 90 | Very high | 90.8 | Very high | 31 Ų | 31 | 68.6 Ų | 68.6 | 12% | 0.117 | 30% | 0.3 | C | S | . | . | trans | -135.5 | 85.9 | -176.7 | -160.8 | -178.2 | 78.5 | -167.3 | 11 | 111.3 | I265 Y269 H271 K273 L275 | I265-R267 VanDerWaalsContact C-N 3.32Å; I265-R267 PolarHBondContact O-N 3.26Å; R267-Y269 HydrophobicContact CG-CD1 4.2Å; R267-Y269 HydrophobicContact CG-CD2 3.99Å; R267-Y269 HydrophobicContact CG-CE1 3.9Å; R267-Y269 HydrophobicContact CG-CE2 3.68Å; R267-Y269 HydrophobicContact CG-CG 4.23Å; R267-Y269 PolarHBondContact O-N 2.77Å; R267-H271 PolarHBondContact NH2-O 2.77Å; R267-K273 PolarHBondContact NH1-O 2.69Å; R267-K273 PolarHBondContact NH2-O 2.94Å; R267-L275 VanDerWaalsContact NH2-CD1 3.25Å | ||
| 268 | P | 91.8 | Very high | 90.8 | Very high | 47 Ų | 47 | 68.4 Ų | 68.4 | 31% | 0.305 | 31% | 0.311 | S | S | . | . | trans | -75 | -7.6 | 178.4 | 30.6 | -35.3 | 0 | 0 | 0 | 113.7 | I265 | I265-P268 HydrophobicContact CG2-CB 3.91Š| ||
| 269 | Y | 91 | Very high | 90.6 | Very high | 108 Ų | 108 | 68.7 Ų | 68.7 | 42% | 0.424 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -106.5 | 156.3 | -177.1 | 58.1 | -96.5 | 0 | 0 | 0 | 113.2 | R267 | R267-Y269 HydrophobicContact CG-CD1 4.2Å; R267-Y269 HydrophobicContact CG-CD2 3.99Å; R267-Y269 HydrophobicContact CG-CE1 3.9Å; R267-Y269 HydrophobicContact CG-CE2 3.68Å; R267-Y269 HydrophobicContact CG-CG 4.23Å; R267-Y269 PolarHBondContact O-N 2.77Å |
| 270 | F | 91.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 65.7 Ų | 65.7 | 8% | 0.075 | 30% | 0.303 | C | S | . | . | trans | -64.9 | 134 | 176.2 | 179 | -99.4 | 0 | 0 | 0 | 112.4 | F47 C50 V272 V342 A345 L346 | F47-F270 AromaticContact CD1-CE1 3.99Å; F47-F270 HydrophobicContact CD1-CE1 3.99Å; F47-F270 HydrophobicContact CD1-CZ 4.12Å; C50-F270 WeakPolarHBondContact SG-CD1 3.32Å; F270-V272 HydrophobicContact CE1-CG2 3.87Å; F270-V272 HydrophobicContact CZ-CG2 3.89Å; F270-V342 WeakPolarHBondContact CA-O 3.45Å; F270-V342 HydrophobicContact CB-CG1 4.44Å; F270-V342 VanDerWaalsContact CB-O 3.24Å; F270-V342 WeakPolarHBondContact CB-O 3.32Å; F270-A345 HydrophobicContact CD2-CB 3.82Å; F270-A345 HydrophobicContact CE2-CB 3.83Å; F270-L346 HydrophobicContact CE2-CD2 4.24Å; F270-L346 HydrophobicContact CE2-CG 4.07Å; F270-L346 HydrophobicContact CZ-CD2 4.41Å; F270-L346 HydrophobicContact CZ-CG 4.48Å | ||
| 271 | H | 88.6 | Confident | 90.7 | Very high | 55 Ų | 55 | 61.5 Ų | 61.5 | 26% | 0.255 | 29% | 0.29 | S | S | . | . | trans | -153.2 | 137.4 | 162.9 | -174.7 | -6.4 | 0 | 0 | 0 | 109.3 | R267 K273 | R267-H271 PolarHBondContact NH2-O 2.77Å; H271-K273 PolarHBondContact ND1-N 2.73Å; H271-K273 PolarHBondContact O-N 2.79Å; H271-K273 VanDerWaalsContact O-N 3.14Å; H271-K273 VanDerWaalsContact O-O 3.06Å | ||
| 272 | V | 86.2 | Confident | 90.7 | Very high | 12 Ų | 12 | 60.5 Ų | 60.5 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -57.2 | -23 | 179 | -170.1 | 0 | 0 | 0 | 0 | 114.7 | F17 F47 F270 L346 T931 | F17-V272 HydrophobicContact CB-CB 4.3Å; F17-V272 HydrophobicContact CB-CG1 4.4Å; F17-V272 HydrophobicContact CB-CG2 3.92Å; F17-V272 HydrophobicContact CD1-CB 4.39Å; F17-V272 HydrophobicContact CD1-CG2 4.01Å; F17-V272 HydrophobicContact CD2-CG2 3.58Å; F17-V272 HydrophobicContact CE1-CG2 4.4Å; F17-V272 HydrophobicContact CE2-CG2 4.01Å; F17-V272 HydrophobicContact CG-CB 4.25Å; F17-V272 HydrophobicContact CG-CG2 3.58Å; F17-V272 HydrophobicContact CZ-CG2 4.41Å; F47-V272 HydrophobicContact CD1-CG2 4.03Å; F47-V272 HydrophobicContact CE1-CG2 3.7Å; F270-V272 HydrophobicContact CE1-CG2 3.87Å; F270-V272 HydrophobicContact CZ-CG2 3.89Å; V272-L346 HydrophobicContact CG1-CD1 4.12Å; V272-T931 HydrophobicContact CG1-CG2 3.84Å |
| 273 | K | 84.4 | Confident | 90.8 | Very high | 120 Ų | 120 | 60.5 Ų | 60.5 | 52% | 0.522 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -65.6 | 133.4 | 171.4 | -74.4 | 179.3 | -178.2 | 172.2 | 0 | 110.1 | R267 H271 | R267-K273 PolarHBondContact NH1-O 2.69Å; R267-K273 PolarHBondContact NH2-O 2.94Å; H271-K273 PolarHBondContact ND1-N 2.73Å; H271-K273 PolarHBondContact O-N 2.79Å; H271-K273 VanDerWaalsContact O-N 3.14Å; H271-K273 VanDerWaalsContact O-O 3.06Å |
| 274 | P | 84 | Confident | 90.9 | Very high | 46 Ų | 46 | 55.3 Ų | 55.3 | 30% | 0.299 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -56.6 | 150.8 | 179.1 | 23.2 | -32.8 | 0 | 0 | 0 | 112.3 | Y347 A933 | P274-Y347 VanDerWaalsContact CA-OH 3.3Å; P274-Y347 WeakPolarHBondContact CA-OH 3.43Å; P274-Y347 WeakPolarHBondContact CB-OH 3.22Å; P274-A933 HydrophobicContact CB-CB 4.24Å |
| 275 | L | 87.6 | Confident | 91.1 | Very high | 13 Ų | 13 | 55.6 Ų | 55.6 | 7% | 0.068 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -78.7 | 156.3 | 166.5 | -68.7 | 88.8 | 0 | 0 | 0 | 110 | R267 Q279 L280 Y347 | R267-L275 VanDerWaalsContact NH2-CD1 3.25Å; L275-Q279 HydrophobicContact CB-CB 4.38Å; L275-Q279 HydrophobicContact CD2-CB 4.04Å; L275-L280 HydrophobicContact CB-CD2 4Å; L275-L280 HydrophobicContact CB-CG 4.29Å; L275-L280 HydrophobicContact CD1-CD2 4.44Å; L275-Y347 HydrophobicContact CD1-CD2 4.45Å; L275-Y347 HydrophobicContact CD1-CE2 3.64Å; L275-Y347 PolarHBondContact N-OH 2.61Å |
| 276 | E | 88.8 | Confident | 91.2 | Very high | 94 Ų | 94 | 55.5 Ų | 55.5 | 44% | 0.439 | 27% | 0.268 | S | S | . | . | P | Polyproline II helix | trans | -64.7 | 142.2 | 166.7 | -58.4 | 168.6 | 134.5 | 0 | 0 | 109.9 | R266 V278 Q279 L280 | R266-E276 IonicContact CZ-OE2 3.64Å; R266-E276 IonicContact NH1-OE1 3.84Å; R266-E276 PolarHBondContact NH1-OE1 2.76Å; R266-E276 VanDerWaalsContact NH1-OE1 3.16Å; R266-E276 IonicContact NH1-OE2 2.72Å; R266-E276 PolarHBondContact NH1-OE2 3.17Å; E276-V278 PolarHBondContact O-N 3.36Å; E276-V278 VanDerWaalsContact O-N 3.17Å; E276-Q279 HydrophobicContact CB-CG 4.34Å; E276-Q279 WeakPolarHBondContact O-CA 3.42Å; E276-Q279 WeakPolarHBondContact O-CB 3.42Å; E276-Q279 PolarHBondContact O-N 2.92Å; E276-Q279 PolarHBondContact OE2-NE2 2.91Å; E276-L280 PolarHBondContact O-N 3.07Å |
| 277 | E | 89.6 | Confident | 91.5 | Very high | 135 Ų | 135 | 47 Ų | 47 | 63% | 0.631 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -54.1 | -37.2 | 178.6 | -170.9 | -176.3 | 166.8 | 0 | 0 | 112.8 | Q279 L280 N281 | E277-Q279 PolarHBondContact O-N 3.49Å; E277-L280 WeakPolarHBondContact O-CB 3.31Å; E277-L280 PolarHBondContact O-N 2.76Å; E277-L280 VanDerWaalsContact O-N 3.09Å; E277-N281 PolarHBondContact O-N 2.91Å |
| 278 | V | 92.1 | Very high | 91.8 | Very high | 108 Ų | 108 | 47.8 Ų | 47.8 | 66% | 0.655 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -57.5 | -34.3 | 174.7 | -177.2 | 0 | 0 | 0 | 0 | 112.4 | E276 N282 | E276-V278 PolarHBondContact O-N 3.36Å; E276-V278 VanDerWaalsContact O-N 3.17Å; V278-N282 WeakPolarHBondContact O-CB 3.22Å; V278-N282 PolarHBondContact O-N 2.92Å; V278-N282 VanDerWaalsContact O-N 3.09Å |
| 279 | Q | 91.7 | Very high | 92 | Very high | 16 Ų | 16 | 47.6 Ų | 47.6 | 8% | 0.075 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -77.9 | -36.9 | 176.7 | -62.2 | -177.9 | 49.7 | 0 | 0 | 111.5 | L275 E276 E277 N282 W283 | L275-Q279 HydrophobicContact CB-CB 4.38Å; L275-Q279 HydrophobicContact CD2-CB 4.04Å; E276-Q279 HydrophobicContact CB-CG 4.34Å; E276-Q279 WeakPolarHBondContact O-CA 3.42Å; E276-Q279 WeakPolarHBondContact O-CB 3.42Å; E276-Q279 PolarHBondContact O-N 2.92Å; E276-Q279 PolarHBondContact OE2-NE2 2.91Å; E277-Q279 PolarHBondContact O-N 3.49Å; Q279-N282 PolarHBondContact O-N 2.71Å; Q279-W283 PolarHBondContact O-N 2.95Å |
| 280 | L | 91.9 | Very high | 92.2 | Very high | 22 Ų | 22 | 43 Ų | 43 | 12% | 0.115 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -62.5 | -46.4 | 174.1 | -58.1 | 174.7 | 0 | 0 | 0 | 110.8 | L275 E276 E277 N282 W283 A284 Y347 F350 | L275-L280 HydrophobicContact CB-CD2 4Å; L275-L280 HydrophobicContact CB-CG 4.29Å; L275-L280 HydrophobicContact CD1-CD2 4.44Å; E276-L280 PolarHBondContact O-N 3.07Å; E277-L280 WeakPolarHBondContact O-CB 3.31Å; E277-L280 PolarHBondContact O-N 2.76Å; E277-L280 VanDerWaalsContact O-N 3.09Å; L280-N282 VanDerWaalsContact C-N 3.35Å; L280-N282 PolarHBondContact O-N 2.75Å; L280-W283 PolarHBondContact O-N 2.92Å; L280-A284 PolarHBondContact O-N 3.32Å; L280-Y347 HydrophobicContact CD1-CD1 4.07Å; L280-Y347 HydrophobicContact CD1-CE1 3.53Å; L280-Y347 HydrophobicContact CD2-CD1 4Å; L280-Y347 HydrophobicContact CD2-CD2 4.19Å; L280-Y347 HydrophobicContact CD2-CE1 3.82Å; L280-Y347 HydrophobicContact CD2-CE2 4.03Å; L280-Y347 HydrophobicContact CD2-CG 4.18Å; L280-Y347 HydrophobicContact CG-CE1 4.35Å; L280-F350 HydrophobicContact CD2-CE2 4.04Å |
| 281 | N | 94.3 | Very high | 92.4 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 28% | 0.283 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -63.2 | -40.7 | 176.6 | -67.9 | -10.9 | 0 | 0 | 0 | 111.2 | E277 W283 A284 E285 | E277-N281 PolarHBondContact O-N 2.91Å; N281-W283 PolarHBondContact O-N 3.02Å; N281-A284 PolarHBondContact O-N 3.41Å; N281-E285 WeakPolarHBondContact O-CB 3.45Å; N281-E285 WeakPolarHBondContact O-CG 3.3Å; N281-E285 PolarHBondContact O-N 3.19Å |
| 282 | N | 96.2 | Very high | 92.7 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.011 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -42.5 | 173.7 | -176.4 | 65.4 | 0 | 0 | 0 | 113.3 | F261 K264 V278 Q279 L280 Y286 | F261-N282 PolarHBondContact O-ND2 3.23Å; K264-N282 HydrophobicContact CB-CB 4.35Å; K264-N282 HydrophobicContact CD-CB 4.22Å; K264-N282 WeakPolarHBondContact CD-OD1 3.21Å; V278-N282 WeakPolarHBondContact O-CB 3.22Å; V278-N282 PolarHBondContact O-N 2.92Å; V278-N282 VanDerWaalsContact O-N 3.09Å; Q279-N282 PolarHBondContact O-N 2.71Å; L280-N282 VanDerWaalsContact C-N 3.35Å; L280-N282 PolarHBondContact O-N 2.75Å; N282-Y286 VanDerWaalsContact O-CB 3.25Å; N282-Y286 WeakPolarHBondContact O-CB 3.26Å; N282-Y286 PolarHBondContact O-N 2.98Å |
| 283 | W | 96.1 | Very high | 93.1 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.008 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -63.1 | -42.7 | 173.6 | -78.5 | 115.9 | 0 | 0 | 0 | 111.7 | I265 Q279 L280 N281 Y286 L287 L336 R339 C340 A343 C344 F350 | I265-W283 HydrophobicContact CD1-CD2 4.5Å; I265-W283 HydrophobicContact CD1-CE3 4.3Å; I265-W283 HydrophobicContact CD1-CH2 3.78Å; I265-W283 HydrophobicContact CD1-CZ2 3.97Å; I265-W283 HydrophobicContact CD1-CZ3 3.95Å; I265-W283 HydrophobicContact CG1-CZ2 4.2Å; I265-W283 HydrophobicContact CG2-CH2 4.32Å; I265-W283 HydrophobicContact CG2-CZ2 3.7Å; Q279-W283 PolarHBondContact O-N 2.95Å; L280-W283 PolarHBondContact O-N 2.92Å; N281-W283 PolarHBondContact O-N 3.02Å; W283-Y286 PolarHBondContact O-N 3.13Å; W283-L287 WeakPolarHBondContact O-CB 3.39Å; W283-L287 VanDerWaalsContact O-CG 3.28Å; W283-L287 WeakPolarHBondContact O-CG 3.32Å; W283-L287 PolarHBondContact O-N 3.44Å; W283-L336 HydrophobicContact CE3-CD1 4.4Å; W283-L336 HydrophobicContact CZ3-CD1 3.83Å; W283-R339 HydrophobicContact CH2-CB 4.28Å; W283-R339 HydrophobicContact CZ3-CB 4.39Å; W283-C340 HydrophobicContact CD2-CB 4.12Å; W283-C340 HydrophobicContact CE3-CB 3.55Å; W283-C340 HydrophobicContact CH2-CB 4.49Å; W283-C340 HydrophobicContact CZ3-CB 3.77Å; W283-A343 HydrophobicContact CZ2-CB 3.74Å; W283-C344 VanDerWaalsContact CD1-SG 3.59Å; W283-F350 HydrophobicContact CB-CE1 3.9Å; W283-F350 HydrophobicContact CB-CZ 3.71Å |
| 284 | A | 95.2 | Very high | 93.5 | Very high | 31 Ų | 31 | 40.4 Ų | 40.4 | 26% | 0.256 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -66.9 | -37.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | L280 N281 S288 F350 R353 | L280-A284 PolarHBondContact O-N 3.32Å; N281-A284 PolarHBondContact O-N 3.41Å; A284-S288 PolarHBondContact O-N 3.04Å; A284-S288 PolarHBondContact O-OG 2.55Å; A284-F350 HydrophobicContact CB-CE1 4.3Å; A284-R353 PolarHBondContact O-NH1 2.94Å |
| 285 | E | 96.4 | Very high | 94 | Very high | 69 Ų | 69 | 40 Ų | 40 | 32% | 0.322 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -65.7 | -48.8 | 172.1 | -73.3 | 174.9 | 174.8 | 0 | 0 | 111.1 | F261 K264 N281 L287 S288 F289 | F261-E285 HydrophobicContact CD1-CB 4.48Å; F261-E285 HydrophobicContact CE1-CB 3.91Å; K264-E285 IonicContact NZ-OE2 3.9Å; N281-E285 WeakPolarHBondContact O-CB 3.45Å; N281-E285 WeakPolarHBondContact O-CG 3.3Å; N281-E285 PolarHBondContact O-N 3.19Å; E285-L287 PolarHBondContact O-N 3.46Å; E285-S288 WeakPolarHBondContact O-CB 3.48Å; E285-S288 PolarHBondContact O-N 2.77Å; E285-S288 VanDerWaalsContact O-N 3.13Å; E285-F289 PolarHBondContact O-N 3.21Å |
| 286 | Y | 97 | Very high | 94.3 | Very high | 7 Ų | 7 | 43.3 Ų | 43.3 | 3% | 0.027 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | -177.2 | -171 | -166.5 | 0 | 0 | 0 | 112.7 | R258 F261 E262 I265 N282 W283 S288 F289 E290 L336 | R258-Y286 HydrophobicContact CG-CE2 4.22Å; F261-Y286 HydrophobicContact CB-CD1 3.6Å; F261-Y286 HydrophobicContact CB-CD2 3.78Å; F261-Y286 HydrophobicContact CB-CE1 4.04Å; F261-Y286 HydrophobicContact CB-CE2 4.23Å; F261-Y286 HydrophobicContact CB-CG 3.46Å; F261-Y286 VanDerWaalsContact CB-CG 3.46Å; F261-Y286 HydrophobicContact CD1-CG 4.25Å; F261-Y286 AromaticContact CD2-CD2 3.68Å; F261-Y286 HydrophobicContact CD2-CD2 3.68Å; F261-Y286 HydrophobicContact CD2-CE2 4.19Å; F261-Y286 HydrophobicContact CD2-CG 4.14Å; F261-Y286 HydrophobicContact CE2-CD2 4.41Å; F261-Y286 HydrophobicContact CG-CD1 4.36Å; F261-Y286 AromaticContact CG-CD2 3.75Å; F261-Y286 HydrophobicContact CG-CD2 3.75Å; F261-Y286 HydrophobicContact CG-CE2 4.47Å; F261-Y286 AromaticContact CG-CG 3.7Å; F261-Y286 HydrophobicContact CG-CG 3.7Å; E262-Y286 HydrophobicContact CG-CE1 4.18Å; E262-Y286 WeakPolarHBondContact OE1-CE1 3.23Å; E262-Y286 PolarHBondContact OE1-OH 2.77Å; I265-Y286 HydrophobicContact CD1-CD1 4.16Å; I265-Y286 HydrophobicContact CD1-CE1 4.17Å; N282-Y286 VanDerWaalsContact O-CB 3.25Å; N282-Y286 WeakPolarHBondContact O-CB 3.26Å; N282-Y286 PolarHBondContact O-N 2.98Å; W283-Y286 PolarHBondContact O-N 3.13Å; Y286-S288 VanDerWaalsContact C-N 3.32Å; Y286-S288 PolarHBondContact O-N 3.03Å; Y286-F289 HydrophobicContact CD2-CD1 4.1Å; Y286-F289 HydrophobicContact CE2-CD1 4.29Å; Y286-F289 WeakPolarHBondContact O-CB 3.4Å; Y286-F289 PolarHBondContact O-N 3.48Å; Y286-E290 HydrophobicContact CD2-CG 4.21Å; Y286-E290 HydrophobicContact CE2-CG 3.94Å; Y286-E290 WeakPolarHBondContact CE2-OE1 3.43Å; Y286-E290 PolarHBondContact O-N 3.14Å; Y286-L336 HydrophobicContact CD1-CD1 3.64Å; Y286-L336 HydrophobicContact CD1-CD2 3.86Å; Y286-L336 HydrophobicContact CD1-CG 4.4Å; Y286-L336 HydrophobicContact CD2-CD2 3.7Å; Y286-L336 HydrophobicContact CE1-CD1 3.42Å; Y286-L336 VanDerWaalsContact CE1-CD1 3.42Å; Y286-L336 HydrophobicContact CE1-CD2 4.07Å; Y286-L336 HydrophobicContact CE1-CG 4.43Å; Y286-L336 HydrophobicContact CE2-CD2 3.89Å; Y286-L336 HydrophobicContact CG-CD1 4.33Å; Y286-L336 HydrophobicContact CG-CD2 3.67Å |
| 287 | L | 96.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.8 | -43.7 | 171.3 | -73.4 | 168.1 | 0 | 0 | 0 | 111.3 | W283 E285 F289 E290 E291 L336 Y337 C340 F350 | W283-L287 WeakPolarHBondContact O-CB 3.39Å; W283-L287 VanDerWaalsContact O-CG 3.28Å; W283-L287 WeakPolarHBondContact O-CG 3.32Å; W283-L287 PolarHBondContact O-N 3.44Å; E285-L287 PolarHBondContact O-N 3.46Å; L287-F289 VanDerWaalsContact C-N 3.27Å; L287-F289 PolarHBondContact O-N 2.72Å; L287-E290 PolarHBondContact O-N 3.04Å; L287-E291 WeakPolarHBondContact O-CB 3.31Å; L287-E291 VanDerWaalsContact O-CG 3.27Å; L287-E291 WeakPolarHBondContact O-CG 3.48Å; L287-E291 PolarHBondContact O-N 3.08Å; L287-L336 HydrophobicContact CD2-CB 4.3Å; L287-L336 HydrophobicContact CD2-CD2 3.92Å; L287-L336 HydrophobicContact CD2-CG 3.77Å; L287-L336 HydrophobicContact CG-CD2 4.36Å; L287-L336 HydrophobicContact CG-CG 4.5Å; L287-Y337 HydrophobicContact CD1-CD1 4.04Å; L287-Y337 HydrophobicContact CD1-CE1 3.76Å; L287-Y337 HydrophobicContact CD2-CD1 3.65Å; L287-Y337 HydrophobicContact CD2-CD2 3.91Å; L287-Y337 HydrophobicContact CD2-CE1 3.8Å; L287-Y337 HydrophobicContact CD2-CE2 4.04Å; L287-Y337 HydrophobicContact CD2-CG 3.71Å; L287-Y337 HydrophobicContact CG-CD1 4.49Å; L287-Y337 HydrophobicContact CG-CE1 4.31Å; L287-C340 HydrophobicContact CD1-CB 4.31Å; L287-F350 HydrophobicContact CD1-CD1 3.76Å; L287-F350 HydrophobicContact CD1-CE1 3.94Å |
| 288 | S | 96.4 | Very high | 94.5 | Very high | 47 Ų | 47 | 35.6 Ų | 35.6 | 33% | 0.329 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.6 | -33.3 | 176.4 | -48.3 | 0 | 0 | 0 | 0 | 112.5 | A284 E285 Y286 A292 R353 | A284-S288 PolarHBondContact O-N 3.04Å; A284-S288 PolarHBondContact O-OG 2.55Å; E285-S288 WeakPolarHBondContact O-CB 3.48Å; E285-S288 PolarHBondContact O-N 2.77Å; E285-S288 VanDerWaalsContact O-N 3.13Å; Y286-S288 VanDerWaalsContact C-N 3.32Å; Y286-S288 PolarHBondContact O-N 3.03Å; S288-A292 WeakPolarHBondContact O-CB 3.24Å; S288-A292 PolarHBondContact O-N 3.37Å; S288-R353 PolarHBondContact OG-NH1 2.95Å; S288-R353 PolarHBondContact OG-NH2 2.82Å |
| 289 | F | 96.5 | Very high | 94.4 | Very high | 43 Ų | 43 | 33 Ų | 33 | 19% | 0.189 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.6 | -50.2 | 176.3 | 169.1 | -97.9 | 0 | 0 | 0 | 112.2 | R257 R258 F261 E285 Y286 L287 E291 A292 E293 | R257-F289 HydrophobicContact CB-CZ 3.93Å; R258-F289 HydrophobicContact CG-CE1 4.11Å; F261-F289 HydrophobicContact CD2-CD1 4.36Å; F261-F289 HydrophobicContact CE2-CB 3.99Å; F261-F289 AromaticContact CE2-CD1 3.93Å; F261-F289 HydrophobicContact CE2-CD1 3.93Å; F261-F289 HydrophobicContact CE2-CD2 4.23Å; F261-F289 AromaticContact CE2-CG 3.75Å; F261-F289 HydrophobicContact CE2-CG 3.75Å; F261-F289 HydrophobicContact CZ-CB 4.03Å; F261-F289 HydrophobicContact CZ-CG 4.23Å; E285-F289 PolarHBondContact O-N 3.21Å; Y286-F289 HydrophobicContact CD2-CD1 4.1Å; Y286-F289 HydrophobicContact CE2-CD1 4.29Å; Y286-F289 WeakPolarHBondContact O-CB 3.4Å; Y286-F289 PolarHBondContact O-N 3.48Å; L287-F289 VanDerWaalsContact C-N 3.27Å; L287-F289 PolarHBondContact O-N 2.72Å; F289-E291 VanDerWaalsContact C-N 3.34Å; F289-E291 PolarHBondContact O-N 3.07Å; F289-A292 PolarHBondContact O-N 2.95Å; F289-E293 HydrophobicContact CD1-CG 4.4Å; F289-E293 HydrophobicContact CD2-CG 4.24Å; F289-E293 HydrophobicContact CE1-CG 3.9Å; F289-E293 HydrophobicContact CE2-CG 3.7Å; F289-E293 HydrophobicContact CZ-CG 3.5Å; F289-E293 WeakPolarHBondContact O-CG 3.2Å; F289-E293 PolarHBondContact O-N 2.96Å |
| 290 | E | 95.3 | Very high | 94.4 | Very high | 10 Ų | 10 | 37 Ų | 37 | 5% | 0.047 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -66.1 | -35.8 | 177.2 | -67.3 | -62.8 | 149.9 | 0 | 0 | 112.1 | R258 Y286 L287 E293 A294 V333 L336 | R258-E290 IonicContact CZ-OE1 2.87Å; R258-E290 IonicContact CZ-OE2 3.55Å; R258-E290 IonicContact NE-OE1 2.8Å; R258-E290 PolarHBondContact NE-OE1 3.36Å; R258-E290 IonicContact NE-OE2 2.75Å; R258-E290 VanDerWaalsContact NH2-CD 3.27Å; R258-E290 IonicContact NH2-OE1 3.87Å; R258-E290 PolarHBondContact NH2-OE1 3.34Å; R258-E290 IonicContact NH2-OE2 3.64Å; R258-E290 PolarHBondContact NH2-OE2 3.22Å; Y286-E290 HydrophobicContact CD2-CG 4.21Å; Y286-E290 HydrophobicContact CE2-CG 3.94Å; Y286-E290 WeakPolarHBondContact CE2-OE1 3.43Å; Y286-E290 PolarHBondContact O-N 3.14Å; L287-E290 PolarHBondContact O-N 3.04Å; E290-E293 PolarHBondContact O-N 3.13Å; E290-A294 WeakPolarHBondContact O-CB 3.22Å; E290-A294 PolarHBondContact O-N 3.45Å; E290-V333 HydrophobicContact CB-CG2 3.98Å; E290-V333 WeakPolarHBondContact O-CG2 3.34Å; E290-L336 HydrophobicContact CB-CD2 4.1Å; E290-L336 HydrophobicContact CG-CD2 3.48Å; E290-L336 VanDerWaalsContact CG-CD2 3.48Å |
| 291 | E | 95.9 | Very high | 94.4 | Very high | 48 Ų | 48 | 36 Ų | 36 | 22% | 0.224 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.5 | -42.9 | 172.7 | -76.3 | 176.3 | 159.5 | 0 | 0 | 112 | L287 F289 G295 V333 Y337 R353 Y357 | L287-E291 WeakPolarHBondContact O-CB 3.31Å; L287-E291 VanDerWaalsContact O-CG 3.27Å; L287-E291 WeakPolarHBondContact O-CG 3.48Å; L287-E291 PolarHBondContact O-N 3.08Å; F289-E291 VanDerWaalsContact C-N 3.34Å; F289-E291 PolarHBondContact O-N 3.07Å; E291-G295 PolarHBondContact O-N 3.49Å; E291-V333 HydrophobicContact CG-CG1 4Å; E291-Y337 HydrophobicContact CG-CE2 4.5Å; E291-Y337 WeakPolarHBondContact OE1-CE2 3.26Å; E291-Y337 PolarHBondContact OE1-OH 3.42Å; E291-R353 IonicContact OE1-NE 2.81Å; E291-R353 IonicContact OE2-CZ 3.19Å; E291-R353 IonicContact OE2-NE 2.72Å; E291-R353 IonicContact OE2-NH2 2.86Å; E291-R353 PolarHBondContact OE2-NH2 3.42Å; E291-Y357 HydrophobicContact CG-CD2 4.03Å; E291-Y357 HydrophobicContact CG-CE2 3.86Å; E291-Y357 VanDerWaalsContact OE1-CD2 3.25Å; E291-Y357 WeakPolarHBondContact OE1-CD2 3.49Å |
| 292 | A | 95.6 | Very high | 94.1 | Very high | 57 Ų | 57 | 38.3 Ų | 38.3 | 47% | 0.471 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -69.8 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | S288 F289 G295 T296 | S288-A292 WeakPolarHBondContact O-CB 3.24Å; S288-A292 PolarHBondContact O-N 3.37Å; F289-A292 PolarHBondContact O-N 2.95Å; A292-G295 PolarHBondContact O-N 2.7Å; A292-T296 WeakPolarHBondContact O-CG2 3.38Å; A292-T296 PolarHBondContact O-N 3.36Å; A292-T296 PolarHBondContact O-OG1 3.35Å |
| 293 | E | 93.5 | Very high | 93.8 | Very high | 41 Ų | 41 | 44.4 Ų | 44.4 | 19% | 0.192 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.6 | -45.9 | 173.2 | -73.4 | -91.1 | 146.3 | 0 | 0 | 110.8 | R257 F289 E290 G295 T296 V297 | R257-E293 IonicContact CZ-OE1 3.01Å; R257-E293 IonicContact CZ-OE2 2.65Å; R257-E293 IonicContact NH1-OE1 3.69Å; R257-E293 PolarHBondContact NH1-OE1 3.47Å; R257-E293 IonicContact NH1-OE2 3.76Å; R257-E293 PolarHBondContact NH1-OE2 3.23Å; R257-E293 IonicContact NH2-OE2 2.67Å; F289-E293 HydrophobicContact CD1-CG 4.4Å; F289-E293 HydrophobicContact CD2-CG 4.24Å; F289-E293 HydrophobicContact CE1-CG 3.9Å; F289-E293 HydrophobicContact CE2-CG 3.7Å; F289-E293 HydrophobicContact CZ-CG 3.5Å; F289-E293 WeakPolarHBondContact O-CG 3.2Å; F289-E293 PolarHBondContact O-N 2.96Å; E290-E293 PolarHBondContact O-N 3.13Å; E293-G295 PolarHBondContact O-N 2.77Å; E293-T296 PolarHBondContact O-N 2.91Å; E293-T296 PolarHBondContact O-OG1 3.18Å; E293-V297 WeakPolarHBondContact O-CG2 3.36Å; E293-V297 PolarHBondContact O-N 2.68Å |
| 294 | A | 93.4 | Very high | 93.4 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 3% | 0.033 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | E290 T296 V297 I298 A329 V333 | E290-A294 WeakPolarHBondContact O-CB 3.22Å; E290-A294 PolarHBondContact O-N 3.45Å; A294-T296 PolarHBondContact O-N 3.04Å; A294-V297 PolarHBondContact O-N 3.42Å; A294-I298 WeakPolarHBondContact O-CB 3.08Å; A294-I298 WeakPolarHBondContact O-CD1 3.32Å; A294-I298 VanDerWaalsContact O-CG1 3.25Å; A294-I298 WeakPolarHBondContact O-CG1 3.29Å; A294-I298 PolarHBondContact O-N 3.46Å; A294-A329 HydrophobicContact CB-CB 4.04Å; A294-V333 HydrophobicContact CB-CG2 3.71Å |
| 295 | G | 93.1 | Very high | 93 | Very high | 39 Ų | 39 | 47.8 Ų | 47.8 | 40% | 0.402 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.5 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | E291 A292 E293 I298 S299 | E291-G295 PolarHBondContact O-N 3.49Å; A292-G295 PolarHBondContact O-N 2.7Å; E293-G295 PolarHBondContact O-N 2.77Å; G295-I298 PolarHBondContact O-N 3.04Å; G295-S299 PolarHBondContact O-N 2.99Å; G295-S299 PolarHBondContact O-OG 2.59Å |
| 296 | T | 93.7 | Very high | 92.5 | Very high | 82 Ų | 82 | 50.7 Ų | 50.7 | 50% | 0.503 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -69.7 | -39.4 | 178.2 | 56.7 | 0 | 0 | 0 | 0 | 112.7 | A292 E293 A294 S299 H300 | A292-T296 WeakPolarHBondContact O-CG2 3.38Å; A292-T296 PolarHBondContact O-N 3.36Å; A292-T296 PolarHBondContact O-OG1 3.35Å; E293-T296 PolarHBondContact O-N 2.91Å; E293-T296 PolarHBondContact O-OG1 3.18Å; A294-T296 PolarHBondContact O-N 3.04Å; T296-S299 WeakPolarHBondContact CA-OG 3.02Å; T296-S299 PolarHBondContact O-N 3.46Å; T296-S299 PolarHBondContact O-OG 2.85Å; T296-H300 WeakPolarHBondContact O-CB 3.07Å; T296-H300 PolarHBondContact O-N 2.79Å |
| 297 | V | 91.7 | Very high | 91.9 | Very high | 41 Ų | 41 | 56.7 Ų | 56.7 | 25% | 0.248 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.3 | -47.9 | 172 | 172 | 0 | 0 | 0 | 0 | 110.7 | E293 A294 S299 H300 I301 E325 V326 A329 | E293-V297 WeakPolarHBondContact O-CG2 3.36Å; E293-V297 PolarHBondContact O-N 2.68Å; A294-V297 PolarHBondContact O-N 3.42Å; V297-S299 PolarHBondContact O-N 2.96Å; V297-H300 PolarHBondContact O-N 3.28Å; V297-I301 HydrophobicContact CG1-CG1 4.48Å; V297-I301 WeakPolarHBondContact O-CG1 3.13Å; V297-I301 PolarHBondContact O-N 3.38Å; V297-E325 HydrophobicContact CG1-CB 4.28Å; V297-V326 HydrophobicContact CG1-CG2 4.25Å; V297-A329 HydrophobicContact CB-CB 4.37Å; V297-A329 HydrophobicContact CG1-CB 4.26Å |
| 298 | I | 91.8 | Very high | 91.1 | Very high | 25 Ų | 25 | 62.1 Ų | 62.1 | 13% | 0.128 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.8 | -71.3 | 164.4 | 0 | 0 | 0 | 111.1 | A294 G295 H300 R302 V320 V326 | A294-I298 WeakPolarHBondContact O-CB 3.08Å; A294-I298 WeakPolarHBondContact O-CD1 3.32Å; A294-I298 VanDerWaalsContact O-CG1 3.25Å; A294-I298 WeakPolarHBondContact O-CG1 3.29Å; A294-I298 PolarHBondContact O-N 3.46Å; G295-I298 PolarHBondContact O-N 3.04Å; I298-H300 PolarHBondContact O-N 3.12Å; I298-R302 VanDerWaalsContact O-CB 3.29Å; I298-R302 WeakPolarHBondContact O-CB 3.2Å; I298-R302 PolarHBondContact O-N 2.89Å; I298-V320 HydrophobicContact CG2-CG1 4.13Å; I298-V326 HydrophobicContact CD1-CG1 4.36Å; I298-V326 HydrophobicContact CG1-CB 4.49Å; I298-V326 HydrophobicContact CG1-CG1 3.75Å; I298-V326 HydrophobicContact CG1-CG2 4.1Å |
| 299 | S | 90.9 | Very high | 90 | Very high | 54 Ų | 54 | 62.5 Ų | 62.5 | 38% | 0.378 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 177.7 | 59.5 | 0 | 0 | 0 | 0 | 112.7 | G295 T296 V297 R302 E303 | G295-S299 PolarHBondContact O-N 2.99Å; G295-S299 PolarHBondContact O-OG 2.59Å; T296-S299 WeakPolarHBondContact CA-OG 3.02Å; T296-S299 PolarHBondContact O-N 3.46Å; T296-S299 PolarHBondContact O-OG 2.85Å; V297-S299 PolarHBondContact O-N 2.96Å; S299-R302 PolarHBondContact O-N 2.99Å; S299-E303 WeakPolarHBondContact O-CG 3.41Å; S299-E303 PolarHBondContact O-N 2.72Å |
| 300 | H | 91.8 | Very high | 88.9 | Confident | 101 Ų | 101 | 70.4 Ų | 70.4 | 47% | 0.468 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -67.4 | -44.5 | -178.4 | -172.5 | 53.2 | 0 | 0 | 0 | 111.7 | T296 V297 I298 E303 Q304 | T296-H300 WeakPolarHBondContact O-CB 3.07Å; T296-H300 PolarHBondContact O-N 2.79Å; V297-H300 PolarHBondContact O-N 3.28Å; I298-H300 PolarHBondContact O-N 3.12Å; H300-E303 PolarHBondContact O-N 3.19Å; H300-Q304 PolarHBondContact CD2-NE2 3.46Å; H300-Q304 VanDerWaalsContact CD2-NE2 3.3Å; H300-Q304 PolarHBondContact NE2-NE2 3.41Å; H300-Q304 WeakPolarHBondContact O-CG 3.45Å; H300-Q304 PolarHBondContact O-N 2.73Å |
| 301 | I | 90.6 | Very high | 87.8 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -67 | -38.4 | 175.7 | -62.5 | -54.4 | 0 | 0 | 0 | 111.3 | V297 E303 Q304 I305 V320 Y323 V326 | V297-I301 HydrophobicContact CG1-CG1 4.48Å; V297-I301 WeakPolarHBondContact O-CG1 3.13Å; V297-I301 PolarHBondContact O-N 3.38Å; I301-E303 VanDerWaalsContact C-N 3.31Å; I301-E303 PolarHBondContact O-N 3.01Å; I301-Q304 PolarHBondContact O-N 3.35Å; I301-I305 HydrophobicContact CG2-CD1 3.79Å; I301-I305 HydrophobicContact CG2-CG1 4.28Å; I301-I305 WeakPolarHBondContact O-CG1 3.25Å; I301-I305 PolarHBondContact O-N 2.98Å; I301-V320 HydrophobicContact CG2-CG1 4.49Å; I301-V320 HydrophobicContact CG2-CG2 4.47Å; I301-Y323 HydrophobicContact CD1-CD1 3.85Å; I301-Y323 HydrophobicContact CD1-CE1 3.57Å; I301-Y323 HydrophobicContact CG1-CD1 3.95Å; I301-Y323 HydrophobicContact CG1-CE1 4.21Å; I301-Y323 HydrophobicContact CG2-CD1 3.83Å; I301-Y323 HydrophobicContact CG2-CD2 4.26Å; I301-Y323 HydrophobicContact CG2-CE1 4.44Å; I301-Y323 HydrophobicContact CG2-CG 3.74Å; I301-V326 HydrophobicContact CB-CG2 4.07Å; I301-V326 HydrophobicContact CG1-CG2 4.07Å; I301-V326 HydrophobicContact CG2-CG2 4.23Å |
| 302 | R | 89.5 | Confident | 86.9 | Confident | 100 Ų | 100 | 73.9 Ų | 73.9 | 38% | 0.377 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -60.5 | -39.1 | 173.5 | -167.3 | -173.3 | -74.1 | 151.2 | -3.5 | 111.9 | I298 S299 K306 L316 E317 V320 | I298-R302 VanDerWaalsContact O-CB 3.29Å; I298-R302 WeakPolarHBondContact O-CB 3.2Å; I298-R302 PolarHBondContact O-N 2.89Å; S299-R302 PolarHBondContact O-N 2.99Å; R302-K306 WeakPolarHBondContact O-CB 3.26Å; R302-K306 PolarHBondContact O-N 3.22Å; R302-K306 VanDerWaalsContact O-N 3.07Å; R302-L316 HydrophobicContact CG-CD1 4.49Å; R302-L316 HydrophobicContact CG-CD2 4.02Å; R302-L316 HydrophobicContact CG-CG 4.14Å; R302-E317 IonicContact CZ-OE1 3.62Å; R302-E317 IonicContact CZ-OE2 3.71Å; R302-E317 IonicContact NE-OE2 3.65Å; R302-E317 PolarHBondContact NE-OE2 2.9Å; R302-E317 IonicContact NH2-OE1 2.69Å; R302-E317 PolarHBondContact NH2-OE1 2.94Å; R302-E317 IonicContact NH2-OE2 3.53Å; R302-E317 PolarHBondContact NH2-OE2 2.75Å; R302-V320 HydrophobicContact CB-CG1 4.44Å; R302-V320 HydrophobicContact CB-CG2 3.78Å; R302-V320 HydrophobicContact CG-CG2 4.02Å |
| 303 | E | 89.1 | Confident | 86.1 | Confident | 130 Ų | 130 | 76.5 Ų | 76.5 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -67.5 | -46.5 | 173 | -74.2 | -178.8 | 171.3 | 0 | 0 | 112.6 | S299 H300 I301 I305 K306 V307 | S299-E303 WeakPolarHBondContact O-CG 3.41Å; S299-E303 PolarHBondContact O-N 2.72Å; H300-E303 PolarHBondContact O-N 3.19Å; I301-E303 VanDerWaalsContact C-N 3.31Å; I301-E303 PolarHBondContact O-N 3.01Å; E303-I305 PolarHBondContact O-N 3.18Å; E303-K306 PolarHBondContact O-N 3.14Å; E303-V307 WeakPolarHBondContact O-CG2 2.87Å; E303-V307 PolarHBondContact O-N 3.29Å |
| 304 | Q | 87.8 | Confident | 85.4 | Confident | 76 Ų | 76 | 81.2 Ų | 81.2 | 36% | 0.355 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -57.2 | -47.7 | 177.5 | -72.4 | -175.7 | 18.7 | 0 | 0 | 112.2 | H300 I301 V307 T308 | H300-Q304 PolarHBondContact CD2-NE2 3.46Å; H300-Q304 VanDerWaalsContact CD2-NE2 3.3Å; H300-Q304 PolarHBondContact NE2-NE2 3.41Å; H300-Q304 WeakPolarHBondContact O-CG 3.45Å; H300-Q304 PolarHBondContact O-N 2.73Å; I301-Q304 PolarHBondContact O-N 3.35Å; Q304-V307 PolarHBondContact O-N 3.43Å; Q304-T308 WeakPolarHBondContact O-CB 3.24Å; Q304-T308 PolarHBondContact O-N 2.91Å; Q304-T308 PolarHBondContact O-OG1 2.95Å |
| 305 | I | 86.3 | Confident | 85 | Confident | 28 Ų | 28 | 86.8 Ų | 86.8 | 14% | 0.144 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -67.4 | -40 | 179.8 | -63.4 | 175.5 | 0 | 0 | 0 | 110.5 | I301 E303 V307 T308 S309 L311 L316 A319 V320 | I301-I305 HydrophobicContact CG2-CD1 3.79Å; I301-I305 HydrophobicContact CG2-CG1 4.28Å; I301-I305 WeakPolarHBondContact O-CG1 3.25Å; I301-I305 PolarHBondContact O-N 2.98Å; E303-I305 PolarHBondContact O-N 3.18Å; I305-V307 VanDerWaalsContact C-N 3.32Å; I305-V307 PolarHBondContact O-N 3.36Å; I305-T308 PolarHBondContact O-N 2.93Å; I305-T308 VanDerWaalsContact O-N 3.11Å; I305-S309 PolarHBondContact O-N 3.47Å; I305-L311 HydrophobicContact CG2-CD1 3.74Å; I305-L316 HydrophobicContact CB-CD1 3.84Å; I305-L316 HydrophobicContact CG2-CD1 3.49Å; I305-L316 VanDerWaalsContact CG2-CD1 3.49Å; I305-A319 HydrophobicContact CD1-CB 4.36Å; I305-V320 HydrophobicContact CD1-CG2 3.9Å |
| 306 | K | 85.7 | Confident | 84.5 | Confident | 131 Ų | 131 | 85.3 Ų | 85.3 | 57% | 0.57 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -66 | -29.5 | 177.8 | -173.7 | 165 | -173.3 | 152.2 | 0 | 113.8 | R302 E303 L316 | R302-K306 WeakPolarHBondContact O-CB 3.26Å; R302-K306 PolarHBondContact O-N 3.22Å; R302-K306 VanDerWaalsContact O-N 3.07Å; E303-K306 PolarHBondContact O-N 3.14Å; K306-L316 HydrophobicContact CB-CD1 4.38Å; K306-L316 HydrophobicContact CB-CD2 4.2Å; K306-L316 HydrophobicContact CD-CD2 4.13Å; K306-L316 HydrophobicContact CG-CD2 4.42Å |
| 307 | V | 83.9 | Confident | 84 | Confident | 133 Ų | 133 | 84.3 Ų | 84.3 | 81% | 0.806 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -75.1 | -36.1 | 170.4 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | E303 Q304 I305 | E303-V307 WeakPolarHBondContact O-CG2 2.87Å; E303-V307 PolarHBondContact O-N 3.29Å; Q304-V307 PolarHBondContact O-N 3.43Å; I305-V307 VanDerWaalsContact C-N 3.32Å; I305-V307 PolarHBondContact O-N 3.36Å |
| 308 | T | 81.4 | Confident | 83.7 | Confident | 113 Ų | 113 | 89 Ų | 89 | 69% | 0.693 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -80.7 | -30.9 | -175.3 | -54.4 | 0 | 0 | 0 | 0 | 113.3 | Q304 I305 | Q304-T308 WeakPolarHBondContact O-CB 3.24Å; Q304-T308 PolarHBondContact O-N 2.91Å; Q304-T308 PolarHBondContact O-OG1 2.95Å; I305-T308 PolarHBondContact O-N 2.93Å; I305-T308 VanDerWaalsContact O-N 3.11Å |
| 309 | S | 73.2 | Confident | 83.4 | Confident | 56 Ų | 56 | 89.6 Ų | 89.6 | 39% | 0.392 | 46% | 0.463 | S | S | . | . | trans | -146.4 | 130.4 | -170.3 | -72.9 | 0 | 0 | 0 | 0 | 113.2 | I305 L311 | I305-S309 PolarHBondContact O-N 3.47Å; S309-L311 PolarHBondContact O-N 2.93Å | ||
| 310 | Q | 72.5 | Confident | 83.3 | Confident | 209 Ų | 209 | 87 Ų | 87 | 98% | 0.977 | 45% | 0.445 | S | S | * | . | trans | -80.2 | 66 | 173.4 | -64.3 | -178.7 | 0.8 | 0 | 0 | 111.2 | ||||
| 311 | L | 72.6 | Confident | 83 | Confident | 67 Ų | 67 | 85.2 Ų | 85.2 | 35% | 0.351 | 44% | 0.439 | S | S | . | . | trans | -79.7 | 152.4 | 174.6 | -72.4 | 154.7 | 0 | 0 | 0 | 111.1 | I305 S309 K315 L316 A319 | I305-L311 HydrophobicContact CG2-CD1 3.74Å; S309-L311 PolarHBondContact O-N 2.93Å; L311-K315 HydrophobicContact CD2-CB 4Å; L311-L316 HydrophobicContact CB-CB 4.2Å; L311-A319 HydrophobicContact CD1-CB 4.45Å | ||
| 312 | S | 77.5 | Confident | 82.9 | Confident | 64 Ų | 64 | 91.1 Ų | 91.1 | 45% | 0.448 | 47% | 0.466 | S | S | . | . | trans | -70.8 | 145.6 | 163.5 | 51.4 | 0 | 0 | 0 | 0 | 110 | D314 K315 L316 | S312-D314 VanDerWaalsContact C-N 3.31Å; S312-D314 PolarHBondContact O-N 3.23Å; S312-D314 VanDerWaalsContact O-N 3.14Å; S312-K315 WeakPolarHBondContact O-CA 3.31Å; S312-K315 PolarHBondContact O-N 3.43Å; S312-L316 PolarHBondContact O-N 3.23Å | ||
| 313 | D | 78.9 | Confident | 82.9 | Confident | 112 Ų | 112 | 90.3 Ų | 90.3 | 60% | 0.599 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -54.1 | -40.4 | -168.1 | -67.3 | -43.9 | 0 | 0 | 0 | 113.9 | K315 L316 E317 | D313-K315 VanDerWaalsContact C-N 3.3Å; D313-K315 PolarHBondContact O-N 2.99Å; D313-L316 WeakPolarHBondContact O-CB 3.44Å; D313-L316 PolarHBondContact O-N 2.92Å; D313-E317 PolarHBondContact O-N 3.42Å |
| 314 | D | 78.7 | Confident | 83 | Confident | 140 Ų | 140 | 88.7 Ų | 88.7 | 75% | 0.749 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.2 | -40.7 | 176 | -46.9 | -40.3 | 0 | 0 | 0 | 112.8 | S312 E317 E318 | S312-D314 VanDerWaalsContact C-N 3.31Å; S312-D314 PolarHBondContact O-N 3.23Å; S312-D314 VanDerWaalsContact O-N 3.14Å; D314-E317 PolarHBondContact O-N 3.01Å; D314-E318 PolarHBondContact O-N 2.89Å; D314-E318 VanDerWaalsContact O-N 3.08Å |
| 315 | K | 84 | Confident | 83.1 | Confident | 121 Ų | 121 | 90 Ų | 90 | 53% | 0.526 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -80.7 | -26.3 | 179.7 | -64.3 | -173.8 | 177.1 | -175.3 | 0 | 112.5 | L311 S312 D313 E317 A319 | L311-K315 HydrophobicContact CD2-CB 4Å; S312-K315 WeakPolarHBondContact O-CA 3.31Å; S312-K315 PolarHBondContact O-N 3.43Å; D313-K315 VanDerWaalsContact C-N 3.3Å; D313-K315 PolarHBondContact O-N 2.99Å; K315-E317 VanDerWaalsContact C-N 3.32Å; K315-A319 VanDerWaalsContact O-CB 3.24Å; K315-A319 WeakPolarHBondContact O-CB 3.41Å; K315-A319 PolarHBondContact O-N 2.67Å |
| 316 | L | 83.2 | Confident | 83.3 | Confident | 8 Ų | 8 | 88.7 Ų | 88.7 | 4% | 0.042 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 169.1 | 175.9 | 61.9 | 0 | 0 | 0 | 109.2 | R302 I305 K306 L311 S312 D313 A319 V320 | R302-L316 HydrophobicContact CG-CD1 4.49Å; R302-L316 HydrophobicContact CG-CD2 4.02Å; R302-L316 HydrophobicContact CG-CG 4.14Å; I305-L316 HydrophobicContact CB-CD1 3.84Å; I305-L316 HydrophobicContact CG2-CD1 3.49Å; I305-L316 VanDerWaalsContact CG2-CD1 3.49Å; K306-L316 HydrophobicContact CB-CD1 4.38Å; K306-L316 HydrophobicContact CB-CD2 4.2Å; K306-L316 HydrophobicContact CD-CD2 4.13Å; K306-L316 HydrophobicContact CG-CD2 4.42Å; L311-L316 HydrophobicContact CB-CB 4.2Å; S312-L316 PolarHBondContact O-N 3.23Å; D313-L316 WeakPolarHBondContact O-CB 3.44Å; D313-L316 PolarHBondContact O-N 2.92Å; L316-A319 PolarHBondContact O-N 3.4Å; L316-V320 HydrophobicContact CD1-CG2 4.3Å; L316-V320 WeakPolarHBondContact O-CB 3.47Å; L316-V320 WeakPolarHBondContact O-CG2 3.39Å; L316-V320 PolarHBondContact O-N 3.31Å |
| 317 | E | 83.4 | Confident | 83.6 | Confident | 61 Ų | 61 | 86.8 Ų | 86.8 | 29% | 0.285 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.2 | -43.9 | 179.1 | -162.4 | 64.9 | -179 | 0 | 0 | 112.6 | R302 D313 D314 K315 A319 V320 L321 | R302-E317 IonicContact CZ-OE1 3.62Å; R302-E317 IonicContact CZ-OE2 3.71Å; R302-E317 IonicContact NE-OE2 3.65Å; R302-E317 PolarHBondContact NE-OE2 2.9Å; R302-E317 IonicContact NH2-OE1 2.69Å; R302-E317 PolarHBondContact NH2-OE1 2.94Å; R302-E317 IonicContact NH2-OE2 3.53Å; R302-E317 PolarHBondContact NH2-OE2 2.75Å; D313-E317 PolarHBondContact O-N 3.42Å; D314-E317 PolarHBondContact O-N 3.01Å; K315-E317 VanDerWaalsContact C-N 3.32Å; E317-A319 VanDerWaalsContact C-N 3.31Å; E317-A319 PolarHBondContact O-N 3.2Å; E317-V320 PolarHBondContact O-N 3.49Å; E317-L321 HydrophobicContact CG-CD1 4.24Å; E317-L321 HydrophobicContact CG-CG 4.46Å; E317-L321 WeakPolarHBondContact O-CB 3.36Å; E317-L321 VanDerWaalsContact O-CG 3.31Å; E317-L321 WeakPolarHBondContact O-CG 3.3Å; E317-L321 PolarHBondContact O-N 3.22Å |
| 318 | E | 84.4 | Confident | 84 | Confident | 139 Ų | 139 | 83.9 Ų | 83.9 | 65% | 0.65 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -54.5 | -46.2 | 172 | -172.5 | 178.5 | -155.2 | 0 | 0 | 111.6 | D314 V320 L321 E322 | D314-E318 PolarHBondContact O-N 2.89Å; D314-E318 VanDerWaalsContact O-N 3.08Å; E318-V320 PolarHBondContact O-N 3.34Å; E318-L321 PolarHBondContact O-N 3.29Å; E318-E322 WeakPolarHBondContact O-CB 3.35Å; E318-E322 PolarHBondContact O-N 2.96Å |
| 319 | A | 86.1 | Confident | 84.5 | Confident | 37 Ų | 37 | 79.1 Ų | 79.1 | 31% | 0.306 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -68.2 | -32.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I305 L311 K315 L316 E317 | I305-A319 HydrophobicContact CD1-CB 4.36Å; L311-A319 HydrophobicContact CD1-CB 4.45Å; K315-A319 VanDerWaalsContact O-CB 3.24Å; K315-A319 WeakPolarHBondContact O-CB 3.41Å; K315-A319 PolarHBondContact O-N 2.67Å; L316-A319 PolarHBondContact O-N 3.4Å; E317-A319 VanDerWaalsContact C-N 3.31Å; E317-A319 PolarHBondContact O-N 3.2Å |
| 320 | V | 88.3 | Confident | 85.5 | Confident | 0 Ų | 0 | 77.9 Ų | 77.9 | 0% | 0 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -70.7 | -43.9 | 174.5 | 168.2 | 0 | 0 | 0 | 0 | 110.9 | I298 I301 R302 I305 L316 E317 E318 E322 Y323 V326 | I298-V320 HydrophobicContact CG2-CG1 4.13Å; I301-V320 HydrophobicContact CG2-CG1 4.49Å; I301-V320 HydrophobicContact CG2-CG2 4.47Å; R302-V320 HydrophobicContact CB-CG1 4.44Å; R302-V320 HydrophobicContact CB-CG2 3.78Å; R302-V320 HydrophobicContact CG-CG2 4.02Å; I305-V320 HydrophobicContact CD1-CG2 3.9Å; L316-V320 HydrophobicContact CD1-CG2 4.3Å; L316-V320 WeakPolarHBondContact O-CB 3.47Å; L316-V320 WeakPolarHBondContact O-CG2 3.39Å; L316-V320 PolarHBondContact O-N 3.31Å; E317-V320 PolarHBondContact O-N 3.49Å; E318-V320 PolarHBondContact O-N 3.34Å; V320-E322 VanDerWaalsContact C-N 3.29Å; V320-E322 PolarHBondContact O-N 3.47Å; V320-Y323 WeakPolarHBondContact O-CB 3.46Å; V320-Y323 PolarHBondContact O-N 2.8Å; V320-V326 HydrophobicContact CG1-CG2 4.22Å; V320-V326 WeakPolarHBondContact O-CB 3.48Å; V320-V326 WeakPolarHBondContact O-CG1 3.37Å; V320-V326 WeakPolarHBondContact O-CG2 3.34Å |
| 321 | L | 85.7 | Confident | 86.5 | Confident | 64 Ų | 64 | 72.8 Ų | 72.8 | 34% | 0.335 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.2 | -30.2 | 178.9 | -69.1 | 176.3 | 0 | 0 | 0 | 112.7 | E317 E318 Y323 V326 K327 K330 | E317-L321 HydrophobicContact CG-CD1 4.24Å; E317-L321 HydrophobicContact CG-CG 4.46Å; E317-L321 WeakPolarHBondContact O-CB 3.36Å; E317-L321 VanDerWaalsContact O-CG 3.31Å; E317-L321 WeakPolarHBondContact O-CG 3.3Å; E317-L321 PolarHBondContact O-N 3.22Å; E318-L321 PolarHBondContact O-N 3.29Å; L321-Y323 VanDerWaalsContact C-N 3.27Å; L321-Y323 PolarHBondContact O-N 3.37Å; L321-V326 HydrophobicContact CD2-CG1 4.47Å; L321-K327 WeakPolarHBondContact O-CE 3.24Å; L321-K327 WeakPolarHBondContact O-CG 3.47Å; L321-K330 HydrophobicContact CD2-CD 4.4Å; L321-K330 VanDerWaalsContact CD2-NZ 3.35Å |
| 322 | E | 88.5 | Confident | 87.5 | Confident | 125 Ų | 125 | 71.4 Ų | 71.4 | 58% | 0.584 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.3 | -15.5 | 176.9 | -165.3 | 51.8 | -144 | 0 | 0 | 113 | E318 V320 K327 | E318-E322 WeakPolarHBondContact O-CB 3.35Å; E318-E322 PolarHBondContact O-N 2.96Å; V320-E322 VanDerWaalsContact C-N 3.29Å; V320-E322 PolarHBondContact O-N 3.47Å; E322-K327 WeakPolarHBondContact O-CE 3.32Å; E322-K327 IonicContact OE1-NZ 3.27Å; E322-K327 PolarHBondContact OE1-NZ 2.91Å; E322-K327 VanDerWaalsContact OE2-CE 3.28Å; E322-K327 WeakPolarHBondContact OE2-CE 3.44Å; E322-K327 IonicContact OE2-NZ 2.78Å; E322-K327 PolarHBondContact OE2-NZ 2.7Å |
| 323 | Y | 89.9 | Confident | 88.4 | Confident | 83 Ų | 83 | 68.4 Ų | 68.4 | 33% | 0.325 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -69.2 | 132.8 | -174 | -156.5 | -99.2 | 0 | 0 | 0 | 113 | I301 V320 L321 E325 V326 K327 | I301-Y323 HydrophobicContact CD1-CD1 3.85Å; I301-Y323 HydrophobicContact CD1-CE1 3.57Å; I301-Y323 HydrophobicContact CG1-CD1 3.95Å; I301-Y323 HydrophobicContact CG1-CE1 4.21Å; I301-Y323 HydrophobicContact CG2-CD1 3.83Å; I301-Y323 HydrophobicContact CG2-CD2 4.26Å; I301-Y323 HydrophobicContact CG2-CE1 4.44Å; I301-Y323 HydrophobicContact CG2-CG 3.74Å; V320-Y323 WeakPolarHBondContact O-CB 3.46Å; V320-Y323 PolarHBondContact O-N 2.8Å; L321-Y323 VanDerWaalsContact C-N 3.27Å; L321-Y323 PolarHBondContact O-N 3.37Å; Y323-E325 VanDerWaalsContact C-N 3.34Å; Y323-E325 HydrophobicContact CD1-CB 4.05Å; Y323-E325 HydrophobicContact CD1-CG 4.37Å; Y323-E325 HydrophobicContact CE1-CB 4.23Å; Y323-E325 HydrophobicContact CE1-CG 4.08Å; Y323-E325 PolarHBondContact O-N 2.85Å; Y323-V326 PolarHBondContact O-N 3.15Å; Y323-K327 PolarHBondContact O-N 2.88Å |
| 324 | P | 90.4 | Very high | 89.1 | Confident | 96 Ų | 96 | 66.7 Ų | 66.7 | 62% | 0.623 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -57.4 | -38.4 | -171.2 | -28.8 | 35.8 | 0 | 0 | 0 | 115.4 | K327 L328 | P324-K327 PolarHBondContact O-N 2.98Å; P324-L328 WeakPolarHBondContact O-CB 3.43Å; P324-L328 PolarHBondContact O-N 2.96Å |
| 325 | E | 89.7 | Confident | 89.9 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.1 | -37.2 | 178.4 | -64.8 | 174.2 | -140.9 | 0 | 0 | 112.1 | V297 Y323 L328 A329 | V297-E325 HydrophobicContact CG1-CB 4.28Å; Y323-E325 VanDerWaalsContact C-N 3.34Å; Y323-E325 HydrophobicContact CD1-CB 4.05Å; Y323-E325 HydrophobicContact CD1-CG 4.37Å; Y323-E325 HydrophobicContact CE1-CB 4.23Å; Y323-E325 HydrophobicContact CE1-CG 4.08Å; Y323-E325 PolarHBondContact O-N 2.85Å; E325-L328 PolarHBondContact O-N 3.15Å; E325-A329 WeakPolarHBondContact O-CB 3.4Å; E325-A329 PolarHBondContact O-N 3.31Å |
| 326 | V | 91.6 | Very high | 90.4 | Very high | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.7 | -43.2 | 175.9 | 169.7 | 0 | 0 | 0 | 0 | 110.5 | V297 I298 I301 V320 L321 Y323 L328 A329 K330 | V297-V326 HydrophobicContact CG1-CG2 4.25Å; I298-V326 HydrophobicContact CD1-CG1 4.36Å; I298-V326 HydrophobicContact CG1-CB 4.49Å; I298-V326 HydrophobicContact CG1-CG1 3.75Å; I298-V326 HydrophobicContact CG1-CG2 4.1Å; I301-V326 HydrophobicContact CB-CG2 4.07Å; I301-V326 HydrophobicContact CG1-CG2 4.07Å; I301-V326 HydrophobicContact CG2-CG2 4.23Å; V320-V326 HydrophobicContact CG1-CG2 4.22Å; V320-V326 WeakPolarHBondContact O-CB 3.48Å; V320-V326 WeakPolarHBondContact O-CG1 3.37Å; V320-V326 WeakPolarHBondContact O-CG2 3.34Å; L321-V326 HydrophobicContact CD2-CG1 4.47Å; Y323-V326 PolarHBondContact O-N 3.15Å; V326-L328 VanDerWaalsContact C-N 3.34Å; V326-L328 PolarHBondContact O-N 2.89Å; V326-A329 PolarHBondContact O-N 3.3Å; V326-K330 PolarHBondContact O-N 2.94Å |
| 327 | K | 92.5 | Very high | 91.1 | Very high | 91 Ų | 91 | 55.1 Ų | 55.1 | 40% | 0.396 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 173.3 | -67.8 | -167.8 | 177.7 | -171.6 | 0 | 112 | L321 E322 Y323 P324 R331 | L321-K327 WeakPolarHBondContact O-CE 3.24Å; L321-K327 WeakPolarHBondContact O-CG 3.47Å; E322-K327 WeakPolarHBondContact O-CE 3.32Å; E322-K327 IonicContact OE1-NZ 3.27Å; E322-K327 PolarHBondContact OE1-NZ 2.91Å; E322-K327 VanDerWaalsContact OE2-CE 3.28Å; E322-K327 WeakPolarHBondContact OE2-CE 3.44Å; E322-K327 IonicContact OE2-NZ 2.78Å; E322-K327 PolarHBondContact OE2-NZ 2.7Å; Y323-K327 PolarHBondContact O-N 2.88Å; P324-K327 PolarHBondContact O-N 2.98Å; K327-R331 VanDerWaalsContact O-CB 3.24Å; K327-R331 WeakPolarHBondContact O-CB 3.37Å; K327-R331 PolarHBondContact O-N 2.67Å |
| 328 | L | 91.4 | Very high | 91.7 | Very high | 71 Ų | 71 | 54.1 Ų | 54.1 | 37% | 0.372 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -65.2 | -41.3 | 176.9 | -179.1 | 59.6 | 0 | 0 | 0 | 112 | L122 P324 E325 V326 R331 R332 | L122-L328 HydrophobicContact CD1-CD1 4.14Å; L122-L328 HydrophobicContact CD2-CD1 4.07Å; P324-L328 WeakPolarHBondContact O-CB 3.43Å; P324-L328 PolarHBondContact O-N 2.96Å; E325-L328 PolarHBondContact O-N 3.15Å; V326-L328 VanDerWaalsContact C-N 3.34Å; V326-L328 PolarHBondContact O-N 2.89Å; L328-R331 PolarHBondContact O-N 3.03Å; L328-R332 WeakPolarHBondContact O-CG 3.22Å; L328-R332 PolarHBondContact O-N 3.37Å |
| 329 | A | 92.6 | Very high | 92.2 | Very high | 13 Ų | 13 | 48.4 Ų | 48.4 | 11% | 0.107 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63 | -48.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | A294 V297 E325 V326 R331 R332 V333 | A294-A329 HydrophobicContact CB-CB 4.04Å; V297-A329 HydrophobicContact CB-CB 4.37Å; V297-A329 HydrophobicContact CG1-CB 4.26Å; E325-A329 WeakPolarHBondContact O-CB 3.4Å; E325-A329 PolarHBondContact O-N 3.31Å; V326-A329 PolarHBondContact O-N 3.3Å; A329-R331 PolarHBondContact O-N 3.4Å; A329-R332 WeakPolarHBondContact O-CB 3.36Å; A329-R332 PolarHBondContact O-N 3.42Å; A329-V333 PolarHBondContact O-N 3.44Å; A329-V333 VanDerWaalsContact O-N 3.14Å |
| 330 | K | 93.5 | Very high | 92.6 | Very high | 30 Ų | 30 | 46.6 Ų | 46.6 | 13% | 0.13 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.3 | -45.2 | 173.4 | -78.4 | -170.4 | 165.1 | -154.5 | 0 | 112.2 | L321 V326 R332 V333 R334 E362 | L321-K330 HydrophobicContact CD2-CD 4.4Å; L321-K330 VanDerWaalsContact CD2-NZ 3.35Å; V326-K330 PolarHBondContact O-N 2.94Å; K330-R332 VanDerWaalsContact C-N 3.31Å; K330-R332 PolarHBondContact O-N 3.31Å; K330-V333 PolarHBondContact O-N 3.31Å; K330-R334 PolarHBondContact O-N 2.85Å; K330-E362 WeakPolarHBondContact CB-OE1 3.46Å; K330-E362 HydrophobicContact CD-CG 4.38Å; K330-E362 VanDerWaalsContact CD-OE1 3.3Å; K330-E362 WeakPolarHBondContact CD-OE1 3.48Å; K330-E362 WeakPolarHBondContact CG-OE1 3.33Å |
| 331 | R | 93.6 | Very high | 92.9 | Very high | 102 Ų | 102 | 46.6 Ų | 46.6 | 39% | 0.385 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -60.2 | -37.9 | 177 | -167.5 | 177.3 | -179.6 | 173 | 3.5 | 112.3 | D118 L122 K327 L328 A329 V335 | D118-R331 PolarHBondContact O-NH2 3.32Å; D118-R331 IonicContact OD1-CZ 2.73Å; D118-R331 IonicContact OD1-NH1 3.37Å; D118-R331 PolarHBondContact OD1-NH1 2.89Å; D118-R331 VanDerWaalsContact OD1-NH1 3.1Å; D118-R331 IonicContact OD1-NH2 3.05Å; D118-R331 PolarHBondContact OD1-NH2 2.96Å; L122-R331 HydrophobicContact CD1-CB 4.36Å; L122-R331 HydrophobicContact CD1-CG 3.75Å; K327-R331 VanDerWaalsContact O-CB 3.24Å; K327-R331 WeakPolarHBondContact O-CB 3.37Å; K327-R331 PolarHBondContact O-N 2.67Å; L328-R331 PolarHBondContact O-N 3.03Å; A329-R331 PolarHBondContact O-N 3.4Å; R331-V335 WeakPolarHBondContact O-CB 3.33Å; R331-V335 VanDerWaalsContact O-CG2 3.26Å; R331-V335 WeakPolarHBondContact O-CG2 3.31Å; R331-V335 PolarHBondContact O-N 3.13Å |
| 332 | R | 93.4 | Very high | 93.3 | Very high | 38 Ų | 38 | 44.5 Ų | 44.5 | 14% | 0.143 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64.2 | -43.1 | 174.1 | -75.1 | 170.7 | 175.9 | -167.9 | -2.2 | 112.6 | Q254 L328 A329 K330 V335 L336 | Q254-R332 VanDerWaalsContact OE1-CZ 3.28Å; L328-R332 WeakPolarHBondContact O-CG 3.22Å; L328-R332 PolarHBondContact O-N 3.37Å; A329-R332 WeakPolarHBondContact O-CB 3.36Å; A329-R332 PolarHBondContact O-N 3.42Å; K330-R332 VanDerWaalsContact C-N 3.31Å; K330-R332 PolarHBondContact O-N 3.31Å; R332-V335 PolarHBondContact O-N 2.83Å; R332-L336 PolarHBondContact O-N 3.27Å |
| 333 | V | 96 | Very high | 93.5 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.006 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -63.2 | -47.5 | 176 | -179.5 | 0 | 0 | 0 | 0 | 111 | E290 E291 A294 A329 K330 V335 L336 Y337 Y357 | E290-V333 HydrophobicContact CB-CG2 3.98Å; E290-V333 WeakPolarHBondContact O-CG2 3.34Å; E291-V333 HydrophobicContact CG-CG1 4Å; A294-V333 HydrophobicContact CB-CG2 3.71Å; A329-V333 PolarHBondContact O-N 3.44Å; A329-V333 VanDerWaalsContact O-N 3.14Å; K330-V333 PolarHBondContact O-N 3.31Å; V333-V335 PolarHBondContact O-N 2.88Å; V333-L336 PolarHBondContact O-N 2.82Å; V333-Y337 HydrophobicContact CG1-CD2 3.73Å; V333-Y337 HydrophobicContact CG1-CE2 3.77Å; V333-Y337 WeakPolarHBondContact O-CD2 3.38Å; V333-Y337 PolarHBondContact O-N 3.35Å; V333-Y357 HydrophobicContact CB-CE1 4.42Å; V333-Y357 HydrophobicContact CG1-CD1 4.4Å; V333-Y357 HydrophobicContact CG1-CE1 3.71Å; V333-Y357 HydrophobicContact CG1-CE2 3.86Å; V333-Y357 VanDerWaalsContact CG1-CZ 3.41Å; V333-Y357 WeakPolarHBondContact CG1-OH 3.14Å |
| 334 | R | 95.1 | Very high | 93.6 | Very high | 77 Ų | 77 | 34.7 Ų | 34.7 | 29% | 0.291 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -56.8 | -46.5 | 174.4 | -70.6 | -173.2 | -179.8 | -149.2 | -7.6 | 112.2 | K330 L336 Y337 E338 E362 D364 | K330-R334 PolarHBondContact O-N 2.85Å; R334-L336 PolarHBondContact O-N 2.72Å; R334-Y337 PolarHBondContact O-N 2.73Å; R334-E338 WeakPolarHBondContact O-CG 3.45Å; R334-E338 PolarHBondContact O-N 2.72Å; R334-E362 IonicContact CZ-OE2 3.43Å; R334-E362 IonicContact NE-OE1 3.23Å; R334-E362 PolarHBondContact NE-OE1 2.9Å; R334-E362 IonicContact NE-OE2 2.67Å; R334-E362 PolarHBondContact NE-OE2 3.39Å; R334-E362 IonicContact NH2-OE1 2.59Å; R334-E362 IonicContact NH2-OE2 3.81Å; R334-E362 PolarHBondContact NH2-OE2 2.94Å; R334-D364 IonicContact CZ-OD2 2.85Å; R334-D364 VanDerWaalsContact CZ-OD2 3.25Å; R334-D364 IonicContact NH1-OD2 3.54Å; R334-D364 PolarHBondContact NH1-OD2 2.98Å; R334-D364 IonicContact NH2-OD2 3.66Å; R334-D364 PolarHBondContact NH2-OD2 3.48Å |
| 335 | V | 94.6 | Very high | 93.7 | Very high | 22 Ų | 22 | 30.2 Ų | 30.2 | 13% | 0.133 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -61.7 | -42.3 | 177 | 164.4 | 0 | 0 | 0 | 0 | 111.6 | L83 L122 R331 R332 V333 E338 R339 | L83-V335 HydrophobicContact CD2-CG1 3.97Å; L122-V335 HydrophobicContact CB-CG1 4.32Å; L122-V335 HydrophobicContact CB-CG2 4.42Å; R331-V335 WeakPolarHBondContact O-CB 3.33Å; R331-V335 VanDerWaalsContact O-CG2 3.26Å; R331-V335 WeakPolarHBondContact O-CG2 3.31Å; R331-V335 PolarHBondContact O-N 3.13Å; R332-V335 PolarHBondContact O-N 2.83Å; V333-V335 PolarHBondContact O-N 2.88Å; V335-E338 PolarHBondContact O-N 2.73Å; V335-R339 HydrophobicContact CG1-CG 4.42Å; V335-R339 WeakPolarHBondContact O-CB 3.45Å; V335-R339 WeakPolarHBondContact O-CG 3.43Å; V335-R339 PolarHBondContact O-N 3.48Å |
| 336 | L | 95.7 | Very high | 93.6 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -66.4 | -39.4 | 177 | -175.9 | 63.2 | 0 | 0 | 0 | 112.2 | W283 Y286 L287 E290 R332 V333 R334 R339 C340 | W283-L336 HydrophobicContact CE3-CD1 4.4Å; W283-L336 HydrophobicContact CZ3-CD1 3.83Å; Y286-L336 HydrophobicContact CD1-CD1 3.64Å; Y286-L336 HydrophobicContact CD1-CD2 3.86Å; Y286-L336 HydrophobicContact CD1-CG 4.4Å; Y286-L336 HydrophobicContact CD2-CD2 3.7Å; Y286-L336 HydrophobicContact CE1-CD1 3.42Å; Y286-L336 VanDerWaalsContact CE1-CD1 3.42Å; Y286-L336 HydrophobicContact CE1-CD2 4.07Å; Y286-L336 HydrophobicContact CE1-CG 4.43Å; Y286-L336 HydrophobicContact CE2-CD2 3.89Å; Y286-L336 HydrophobicContact CG-CD1 4.33Å; Y286-L336 HydrophobicContact CG-CD2 3.67Å; L287-L336 HydrophobicContact CD2-CB 4.3Å; L287-L336 HydrophobicContact CD2-CD2 3.92Å; L287-L336 HydrophobicContact CD2-CG 3.77Å; L287-L336 HydrophobicContact CG-CD2 4.36Å; L287-L336 HydrophobicContact CG-CG 4.5Å; E290-L336 HydrophobicContact CB-CD2 4.1Å; E290-L336 HydrophobicContact CG-CD2 3.48Å; E290-L336 VanDerWaalsContact CG-CD2 3.48Å; R332-L336 PolarHBondContact O-N 3.27Å; V333-L336 PolarHBondContact O-N 2.82Å; R334-L336 PolarHBondContact O-N 2.72Å; L336-R339 VanDerWaalsContact CD1-NH1 3.35Å; L336-R339 PolarHBondContact O-N 2.75Å; L336-C340 WeakPolarHBondContact O-CB 3.37Å; L336-C340 PolarHBondContact O-N 3.44Å |
| 337 | Y | 97 | Very high | 93.5 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.1 | -49.6 | 174.2 | -94.5 | -66.3 | 0 | 0 | 0 | 112.1 | L287 E291 V333 R334 R339 C340 L341 R353 Y354 Y357 | L287-Y337 HydrophobicContact CD1-CD1 4.04Å; L287-Y337 HydrophobicContact CD1-CE1 3.76Å; L287-Y337 HydrophobicContact CD2-CD1 3.65Å; L287-Y337 HydrophobicContact CD2-CD2 3.91Å; L287-Y337 HydrophobicContact CD2-CE1 3.8Å; L287-Y337 HydrophobicContact CD2-CE2 4.04Å; L287-Y337 HydrophobicContact CD2-CG 3.71Å; L287-Y337 HydrophobicContact CG-CD1 4.49Å; L287-Y337 HydrophobicContact CG-CE1 4.31Å; E291-Y337 HydrophobicContact CG-CE2 4.5Å; E291-Y337 WeakPolarHBondContact OE1-CE2 3.26Å; E291-Y337 PolarHBondContact OE1-OH 3.42Å; V333-Y337 HydrophobicContact CG1-CD2 3.73Å; V333-Y337 HydrophobicContact CG1-CE2 3.77Å; V333-Y337 WeakPolarHBondContact O-CD2 3.38Å; V333-Y337 PolarHBondContact O-N 3.35Å; R334-Y337 PolarHBondContact O-N 2.73Å; Y337-R339 PolarHBondContact O-N 2.84Å; Y337-C340 WeakPolarHBondContact O-CB 3.47Å; Y337-C340 PolarHBondContact O-N 3.5Å; Y337-C340 VanDerWaalsContact O-N 3.15Å; Y337-L341 WeakPolarHBondContact O-CG 3.48Å; Y337-L341 PolarHBondContact O-N 2.87Å; Y337-R353 HydrophobicContact CE1-CB 4.4Å; Y337-R353 HydrophobicContact CE1-CG 4.31Å; Y337-R353 WeakPolarHBondContact OH-CD 3.37Å; Y337-R353 VanDerWaalsContact OH-CG 3.26Å; Y337-R353 WeakPolarHBondContact OH-CG 3.31Å; Y337-R353 PolarHBondContact OH-NE 2.85Å; Y337-Y354 VanDerWaalsContact CB-CE2 3.48Å; Y337-Y354 VanDerWaalsContact CD1-CB 3.45Å; Y337-Y354 AromaticContact CD1-CD2 3.66Å; Y337-Y354 HydrophobicContact CD1-CD2 3.66Å; Y337-Y354 AromaticContact CD1-CG 3.7Å; Y337-Y354 HydrophobicContact CD1-CG 3.7Å; Y337-Y354 AromaticContact CD2-CD2 3.51Å; Y337-Y354 HydrophobicContact CD2-CD2 3.51Å; Y337-Y354 AromaticContact CD2-CE2 3.94Å; Y337-Y354 HydrophobicContact CD2-CE2 3.94Å; Y337-Y354 HydrophobicContact CD2-CG 4.39Å; Y337-Y354 HydrophobicContact CE1-CD2 4.27Å; Y337-Y354 HydrophobicContact CE1-CG 4.35Å; Y337-Y354 HydrophobicContact CE2-CD2 4.15Å; Y337-Y354 AromaticContact CG-CD2 3.23Å; Y337-Y354 HydrophobicContact CG-CD2 3.23Å; Y337-Y354 AromaticContact CG-CE2 3.78Å; Y337-Y354 HydrophobicContact CG-CE2 3.78Å; Y337-Y354 AromaticContact CG-CG 3.72Å; Y337-Y354 HydrophobicContact CG-CG 3.72Å; Y337-Y357 HydrophobicContact CD2-CD1 4.38Å; Y337-Y357 HydrophobicContact CE2-CD1 4.07Å; Y337-Y357 HydrophobicContact CE2-CD2 4.28Å; Y337-Y357 AromaticContact CE2-CG 3.88Å; Y337-Y357 HydrophobicContact CE2-CG 3.88Å |
| 338 | E | 95.5 | Very high | 93.4 | Very high | 40 Ų | 40 | 24.2 Ų | 24.2 | 19% | 0.187 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.3 | -36.8 | 179.1 | -68.3 | -72.6 | -176.7 | 0 | 0 | 112 | L83 R334 V335 L341 V342 Y354 R374 | L83-E338 HydrophobicContact CD1-CB 3.38Å; R334-E338 WeakPolarHBondContact O-CG 3.45Å; R334-E338 PolarHBondContact O-N 2.72Å; V335-E338 PolarHBondContact O-N 2.73Å; E338-L341 PolarHBondContact O-N 2.91Å; E338-V342 PolarHBondContact O-N 2.9Å; E338-V342 VanDerWaalsContact O-N 3.08Å; E338-Y354 HydrophobicContact CG-CE1 4.19Å; E338-Y354 WeakPolarHBondContact OE1-CE1 3.39Å; E338-Y354 PolarHBondContact OE1-OH 3.23Å; E338-R374 IonicContact OE1-CZ 3.91Å; E338-R374 IonicContact OE1-NH1 2.75Å; E338-R374 PolarHBondContact OE1-NH1 3.11Å; E338-R374 IonicContact OE1-NH2 2.81Å; E338-R374 IonicContact OE2-CZ 2.76Å; E338-R374 IonicContact OE2-NH1 3.81Å; E338-R374 PolarHBondContact OE2-NH1 2.86Å; E338-R374 IonicContact OE2-NH2 3.78Å; E338-R374 PolarHBondContact OE2-NH2 3.3Å |
| 339 | R | 94.9 | Very high | 93.3 | Very high | 18 Ų | 18 | 24 Ų | 24 | 7% | 0.068 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.5 | -45.8 | 169.5 | -72 | 168.1 | 78.3 | -135.1 | 6 | 111.7 | L83 E123 E262 W283 V335 L336 Y337 V342 A343 | L83-R339 HydrophobicContact CD1-CG 3.94Å; L83-R339 HydrophobicContact CD2-CG 4.36Å; E123-R339 HydrophobicContact CG-CG 4.29Å; E123-R339 IonicContact OE1-CZ 2.7Å; E123-R339 IonicContact OE1-NE 3.72Å; E123-R339 PolarHBondContact OE1-NE 3.37Å; E123-R339 IonicContact OE1-NH2 2.98Å; E123-R339 PolarHBondContact OE1-NH2 2.89Å; E262-R339 VanDerWaalsContact CD-NH2 3.32Å; E262-R339 IonicContact OE1-CZ 3.6Å; E262-R339 VanDerWaalsContact OE1-CZ 3.27Å; E262-R339 IonicContact OE1-NH1 2.65Å; E262-R339 PolarHBondContact OE1-NH1 2.7Å; E262-R339 IonicContact OE1-NH2 2.73Å; E262-R339 PolarHBondContact OE1-NH2 3.36Å; E262-R339 IonicContact OE2-CZ 3.09Å; E262-R339 IonicContact OE2-NH2 3.18Å; E262-R339 PolarHBondContact OE2-NH2 3.43Å; W283-R339 HydrophobicContact CH2-CB 4.28Å; W283-R339 HydrophobicContact CZ3-CB 4.39Å; V335-R339 HydrophobicContact CG1-CG 4.42Å; V335-R339 WeakPolarHBondContact O-CB 3.45Å; V335-R339 WeakPolarHBondContact O-CG 3.43Å; V335-R339 PolarHBondContact O-N 3.48Å; L336-R339 VanDerWaalsContact CD1-NH1 3.35Å; L336-R339 PolarHBondContact O-N 2.75Å; Y337-R339 PolarHBondContact O-N 2.84Å; R339-V342 PolarHBondContact O-N 2.9Å; R339-A343 PolarHBondContact O-N 2.75Å |
| 340 | C | 95.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.4 | -42.9 | 177.8 | -175.1 | 0 | 0 | 0 | 0 | 111.4 | W283 L287 L336 Y337 V342 A343 C344 F350 | W283-C340 HydrophobicContact CD2-CB 4.12Å; W283-C340 HydrophobicContact CE3-CB 3.55Å; W283-C340 HydrophobicContact CH2-CB 4.49Å; W283-C340 HydrophobicContact CZ3-CB 3.77Å; L287-C340 HydrophobicContact CD1-CB 4.31Å; L336-C340 WeakPolarHBondContact O-CB 3.37Å; L336-C340 PolarHBondContact O-N 3.44Å; Y337-C340 WeakPolarHBondContact O-CB 3.47Å; Y337-C340 PolarHBondContact O-N 3.5Å; Y337-C340 VanDerWaalsContact O-N 3.15Å; C340-V342 VanDerWaalsContact C-N 3.31Å; C340-V342 PolarHBondContact O-N 2.86Å; C340-A343 PolarHBondContact O-N 2.81Å; C340-C344 VanDerWaalsContact O-CB 3.25Å; C340-C344 WeakPolarHBondContact O-CB 3.33Å; C340-C344 PolarHBondContact O-N 3.14Å; C340-F350 VanDerWaalsContact SG-CD1 3.57Å |
| 341 | L | 94.8 | Very high | 93.5 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -67.1 | -28 | 178.4 | -69.3 | -177.7 | 0 | 0 | 0 | 113.3 | Y49 Y337 E338 A345 F350 W351 Y354 | Y49-L341 WeakPolarHBondContact CE2-O 3.41Å; Y337-L341 WeakPolarHBondContact O-CG 3.48Å; Y337-L341 PolarHBondContact O-N 2.87Å; E338-L341 PolarHBondContact O-N 2.91Å; L341-A345 VanDerWaalsContact O-CA 3.22Å; L341-A345 WeakPolarHBondContact O-CA 3.42Å; L341-A345 VanDerWaalsContact O-CB 3.22Å; L341-A345 WeakPolarHBondContact O-CB 3.47Å; L341-A345 PolarHBondContact O-N 2.92Å; L341-F350 HydrophobicContact CD2-CB 3.8Å; L341-W351 HydrophobicContact CB-CZ2 4.47Å; L341-W351 HydrophobicContact CD1-CD2 4.06Å; L341-W351 HydrophobicContact CD1-CE3 3.63Å; L341-W351 HydrophobicContact CD1-CH2 4.27Å; L341-W351 HydrophobicContact CD1-CZ3 3.76Å; L341-W351 HydrophobicContact CD2-CB 4.47Å; L341-W351 HydrophobicContact CD2-CD2 3.66Å; L341-W351 HydrophobicContact CD2-CE3 4.12Å; L341-W351 HydrophobicContact CD2-CG 3.79Å; L341-W351 HydrophobicContact CD2-CZ2 4.43Å; L341-W351 HydrophobicContact CG-CD2 4.42Å; L341-W351 HydrophobicContact CG-CE3 4.45Å; L341-Y354 HydrophobicContact CD1-CD1 3.52Å; L341-Y354 HydrophobicContact CD1-CE1 4.1Å; L341-Y354 HydrophobicContact CD1-CG 4.38Å |
| 342 | V | 93.7 | Very high | 93.6 | Very high | 20 Ų | 20 | 17.9 Ų | 17.9 | 12% | 0.121 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.1 | -54 | 169.2 | 170.8 | 0 | 0 | 0 | 0 | 110.7 | Y49 I81 F270 E338 R339 C340 C344 | Y49-V342 HydrophobicContact CD2-CB 4.41Å; Y49-V342 HydrophobicContact CD2-CG2 4.23Å; Y49-V342 HydrophobicContact CE2-CG2 4.29Å; Y49-V342 HydrophobicContact CG-CG2 4.47Å; I81-V342 HydrophobicContact CG2-CG2 4.17Å; F270-V342 WeakPolarHBondContact CA-O 3.45Å; F270-V342 HydrophobicContact CB-CG1 4.44Å; F270-V342 VanDerWaalsContact CB-O 3.24Å; F270-V342 WeakPolarHBondContact CB-O 3.32Å; E338-V342 PolarHBondContact O-N 2.9Å; E338-V342 VanDerWaalsContact O-N 3.08Å; R339-V342 PolarHBondContact O-N 2.9Å; C340-V342 VanDerWaalsContact C-N 3.31Å; C340-V342 PolarHBondContact O-N 2.86Å; V342-C344 PolarHBondContact O-N 2.98Å |
| 343 | A | 92.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 19.2 Ų | 19.2 | 2% | 0.017 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.5 | -40.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | W283 R339 C340 | W283-A343 HydrophobicContact CZ2-CB 3.74Å; R339-A343 PolarHBondContact O-N 2.75Å; C340-A343 PolarHBondContact O-N 2.81Å |
| 344 | C | 92 | Very high | 93.8 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 9% | 0.089 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 24.8 | -167.6 | -60.6 | 0 | 0 | 0 | 0 | 114.1 | W283 C340 V342 L346 Y347 F350 | W283-C344 VanDerWaalsContact CD1-SG 3.59Å; C340-C344 VanDerWaalsContact O-CB 3.25Å; C340-C344 WeakPolarHBondContact O-CB 3.33Å; C340-C344 PolarHBondContact O-N 3.14Å; V342-C344 PolarHBondContact O-N 2.98Å; C344-L346 PolarHBondContact O-N 3.49Å; C344-Y347 HydrophobicContact CB-CD2 4.03Å; C344-Y347 WeakPolarHBondContact O-CB 3.41Å; C344-Y347 WeakPolarHBondContact O-CD2 3.37Å; C344-Y347 PolarHBondContact O-N 3.29Å; C344-F350 HydrophobicContact CB-CD2 3.55Å; C344-F350 HydrophobicContact CB-CE2 3.8Å; C344-F350 HydrophobicContact CB-CG 4.46Å |
| 345 | A | 92.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.008 | 8% | 0.075 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | -23.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y49 F270 L341 Y347 W351 | Y49-A345 HydrophobicContact CD2-CB 3.92Å; Y49-A345 HydrophobicContact CE2-CB 4.04Å; F270-A345 HydrophobicContact CD2-CB 3.82Å; F270-A345 HydrophobicContact CE2-CB 3.83Å; L341-A345 VanDerWaalsContact O-CA 3.22Å; L341-A345 WeakPolarHBondContact O-CA 3.42Å; L341-A345 VanDerWaalsContact O-CB 3.22Å; L341-A345 WeakPolarHBondContact O-CB 3.47Å; L341-A345 PolarHBondContact O-N 2.92Å; A345-Y347 VanDerWaalsContact C-N 3.33Å; A345-W351 HydrophobicContact CB-CZ2 4.27Å; A345-W351 PolarHBondContact O-NE1 3.32Å |
| 346 | L | 88.8 | Confident | 93.9 | Very high | 35 Ų | 35 | 18.2 Ų | 18.2 | 18% | 0.183 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -1.3 | 179.2 | -56.3 | -175 | 0 | 0 | 0 | 114.5 | F270 V272 C344 K383 A933 | F270-L346 HydrophobicContact CE2-CD2 4.24Å; F270-L346 HydrophobicContact CE2-CG 4.07Å; F270-L346 HydrophobicContact CZ-CD2 4.41Å; F270-L346 HydrophobicContact CZ-CG 4.48Å; V272-L346 HydrophobicContact CG1-CD1 4.12Å; C344-L346 PolarHBondContact O-N 3.49Å; L346-K383 PolarHBondContact O-NZ 3.03Å; L346-A933 HydrophobicContact CD1-CB 4.19Å |
| 347 | Y | 89.4 | Confident | 93.9 | Very high | 9 Ų | 9 | 18.6 Ų | 18.6 | 4% | 0.035 | 8% | 0.084 | C | C | . | . | trans | -108.3 | 104.4 | -173.5 | -65 | -92.7 | 0 | 0 | 0 | 110.9 | P274 L275 L280 C344 A345 H349 F350 T937 | P274-Y347 VanDerWaalsContact CA-OH 3.3Å; P274-Y347 WeakPolarHBondContact CA-OH 3.43Å; P274-Y347 WeakPolarHBondContact CB-OH 3.22Å; L275-Y347 HydrophobicContact CD1-CD2 4.45Å; L275-Y347 HydrophobicContact CD1-CE2 3.64Å; L275-Y347 PolarHBondContact N-OH 2.61Å; L280-Y347 HydrophobicContact CD1-CD1 4.07Å; L280-Y347 HydrophobicContact CD1-CE1 3.53Å; L280-Y347 HydrophobicContact CD2-CD1 4Å; L280-Y347 HydrophobicContact CD2-CD2 4.19Å; L280-Y347 HydrophobicContact CD2-CE1 3.82Å; L280-Y347 HydrophobicContact CD2-CE2 4.03Å; L280-Y347 HydrophobicContact CD2-CG 4.18Å; L280-Y347 HydrophobicContact CG-CE1 4.35Å; C344-Y347 HydrophobicContact CB-CD2 4.03Å; C344-Y347 WeakPolarHBondContact O-CB 3.41Å; C344-Y347 WeakPolarHBondContact O-CD2 3.37Å; C344-Y347 PolarHBondContact O-N 3.29Å; A345-Y347 VanDerWaalsContact C-N 3.33Å; Y347-H349 VanDerWaalsContact C-N 3.25Å; Y347-H349 AromaticContact CD1-CE1 3.84Å; Y347-H349 PolarHBondContact O-N 2.74Å; Y347-F350 PolarHBondContact O-N 3.29Å; Y347-T937 HydrophobicContact CD1-CG2 3.71Å; Y347-T937 HydrophobicContact CE1-CG2 4.09Å | ||
| 348 | E | 88.6 | Confident | 93.8 | Very high | 25 Ų | 25 | 18.6 Ų | 18.6 | 12% | 0.117 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.1 | -26.7 | -170.7 | 70.7 | -165.1 | 117.7 | 0 | 0 | 114.2 | F350 W351 I352 L380 K383 T385 I386 | E348-F350 VanDerWaalsContact C-N 3.33Å; E348-F350 PolarHBondContact O-N 3.15Å; E348-W351 PolarHBondContact O-N 3.08Å; E348-I352 HydrophobicContact CB-CD1 4.25Å; E348-I352 HydrophobicContact CG-CD1 4.09Å; E348-I352 WeakPolarHBondContact O-CB 3.22Å; E348-I352 WeakPolarHBondContact O-CD1 3.22Å; E348-I352 VanDerWaalsContact O-CG1 3.25Å; E348-I352 WeakPolarHBondContact O-CG1 3.25Å; E348-I352 PolarHBondContact O-N 2.9Å; E348-L380 HydrophobicContact CB-CD1 3.76Å; E348-K383 HydrophobicContact CB-CD 4.41Å; E348-K383 WeakPolarHBondContact OE1-CD 3.44Å; E348-T385 WeakPolarHBondContact OE2-CB 3.23Å; E348-I386 HydrophobicContact CB-CB 4.13Å; E348-I386 HydrophobicContact CB-CD1 4.22Å; E348-I386 PolarHBondContact OE2-N 3.33Å |
| 349 | H | 90.1 | Very high | 93.7 | Very high | 68 Ų | 68 | 17.1 Ų | 17.1 | 32% | 0.315 | 8% | 0.077 | S | C | . | . | H | α-helix | trans | -62.9 | -33 | 179.3 | 54.7 | -111.7 | 0 | 0 | 0 | 113.7 | Y347 R353 | Y347-H349 VanDerWaalsContact C-N 3.25Å; Y347-H349 AromaticContact CD1-CE1 3.84Å; Y347-H349 PolarHBondContact O-N 2.74Å; H349-R353 VanDerWaalsContact O-CB 3.28Å; H349-R353 WeakPolarHBondContact O-CB 3.16Å; H349-R353 PolarHBondContact O-N 3.14Å |
| 350 | F | 94.9 | Very high | 93.6 | Very high | 3 Ų | 3 | 23.4 Ų | 23.4 | 1% | 0.013 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -72.5 | -40 | 176.3 | -70 | -64.8 | 0 | 0 | 0 | 112 | L280 W283 A284 L287 C340 L341 C344 Y347 E348 R353 Y354 | L280-F350 HydrophobicContact CD2-CE2 4.04Å; W283-F350 HydrophobicContact CB-CE1 3.9Å; W283-F350 HydrophobicContact CB-CZ 3.71Å; A284-F350 HydrophobicContact CB-CE1 4.3Å; L287-F350 HydrophobicContact CD1-CD1 3.76Å; L287-F350 HydrophobicContact CD1-CE1 3.94Å; C340-F350 VanDerWaalsContact SG-CD1 3.57Å; L341-F350 HydrophobicContact CD2-CB 3.8Å; C344-F350 HydrophobicContact CB-CD2 3.55Å; C344-F350 HydrophobicContact CB-CE2 3.8Å; C344-F350 HydrophobicContact CB-CG 4.46Å; Y347-F350 PolarHBondContact O-N 3.29Å; E348-F350 VanDerWaalsContact C-N 3.33Å; E348-F350 PolarHBondContact O-N 3.15Å; F350-R353 PolarHBondContact O-N 2.92Å; F350-Y354 WeakPolarHBondContact O-CB 3.48Å; F350-Y354 PolarHBondContact O-N 3.46Å |
| 351 | W | 95.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.7 | -46 | 173.7 | -65.9 | 97.7 | 0 | 0 | 0 | 111.4 | Y49 L341 A345 E348 R353 Y354 A355 V371 R374 A375 H379 L380 I386 | Y49-W351 HydrophobicContact CE2-CZ2 4.48Å; L341-W351 HydrophobicContact CB-CZ2 4.47Å; L341-W351 HydrophobicContact CD1-CD2 4.06Å; L341-W351 HydrophobicContact CD1-CE3 3.63Å; L341-W351 HydrophobicContact CD1-CH2 4.27Å; L341-W351 HydrophobicContact CD1-CZ3 3.76Å; L341-W351 HydrophobicContact CD2-CB 4.47Å; L341-W351 HydrophobicContact CD2-CD2 3.66Å; L341-W351 HydrophobicContact CD2-CE3 4.12Å; L341-W351 HydrophobicContact CD2-CG 3.79Å; L341-W351 HydrophobicContact CD2-CZ2 4.43Å; L341-W351 HydrophobicContact CG-CD2 4.42Å; L341-W351 HydrophobicContact CG-CE3 4.45Å; A345-W351 HydrophobicContact CB-CZ2 4.27Å; A345-W351 PolarHBondContact O-NE1 3.32Å; E348-W351 PolarHBondContact O-N 3.08Å; W351-R353 PolarHBondContact O-N 2.88Å; W351-Y354 PolarHBondContact O-N 2.97Å; W351-A355 WeakPolarHBondContact O-CB 3.45Å; W351-A355 PolarHBondContact O-N 3.18Å; W351-V371 HydrophobicContact CE3-CG1 3.96Å; W351-R374 HydrophobicContact CH2-CB 4.21Å; W351-R374 HydrophobicContact CZ3-CB 3.89Å; W351-A375 HydrophobicContact CB-CB 3.95Å; W351-A375 HydrophobicContact CD2-CB 3.46Å; W351-A375 VanDerWaalsContact CD2-CB 3.46Å; W351-A375 HydrophobicContact CE3-CB 3.43Å; W351-A375 VanDerWaalsContact CE3-CB 3.43Å; W351-A375 HydrophobicContact CG-CB 3.73Å; W351-A375 HydrophobicContact CZ3-CB 4.07Å; W351-H379 AromaticContact CH2-CD2 3.31Å; W351-H379 WeakPolarHBondContact CH2-CD2 3.37Å; W351-H379 AromaticContact CH2-NE2 3.66Å; W351-H379 HydrophobicContact CZ2-CB 4.03Å; W351-H379 AromaticContact CZ2-CD2 3.26Å; W351-H379 WeakPolarHBondContact CZ2-CD2 3.49Å; W351-H379 AromaticContact CZ2-CG 3.65Å; W351-H379 AromaticContact CZ2-NE2 3.8Å; W351-L380 HydrophobicContact CG-CD1 4.39Å; W351-I386 HydrophobicContact CB-CD1 3.61Å; W351-I386 HydrophobicContact CG-CD1 4.14Å |
| 352 | I | 94.6 | Very high | 93 | Very high | 13 Ų | 13 | 28.9 Ų | 28.9 | 7% | 0.067 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.7 | -42.8 | 176.7 | -67.9 | 161.2 | 0 | 0 | 0 | 110.6 | E348 K356 W372 I386 | E348-I352 HydrophobicContact CB-CD1 4.25Å; E348-I352 HydrophobicContact CG-CD1 4.09Å; E348-I352 WeakPolarHBondContact O-CB 3.22Å; E348-I352 WeakPolarHBondContact O-CD1 3.22Å; E348-I352 VanDerWaalsContact O-CG1 3.25Å; E348-I352 WeakPolarHBondContact O-CG1 3.25Å; E348-I352 PolarHBondContact O-N 2.9Å; I352-K356 HydrophobicContact CG2-CD 3.92Å; I352-K356 HydrophobicContact CG2-CG 4.45Å; I352-K356 VanDerWaalsContact O-CB 3.3Å; I352-K356 WeakPolarHBondContact O-CB 3.44Å; I352-K356 WeakPolarHBondContact O-CG 3.5Å; I352-K356 PolarHBondContact O-N 2.94Å; I352-W372 HydrophobicContact CB-CH2 4.33Å; I352-W372 HydrophobicContact CG1-CH2 4.09Å; I352-W372 HydrophobicContact CG1-CZ3 3.89Å; I352-W372 HydrophobicContact CG2-CH2 4.34Å; I352-I386 HydrophobicContact CD1-CB 4.47Å; I352-I386 HydrophobicContact CD1-CG1 4.49Å; I352-I386 HydrophobicContact CG1-CG1 4.07Å |
| 353 | R | 96.2 | Very high | 92.8 | Very high | 66 Ų | 66 | 30.3 Ų | 30.3 | 25% | 0.249 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.3 | -46 | 177 | -166.3 | -166.8 | 173.6 | 153.2 | 0.4 | 111.5 | A284 S288 E291 Y337 H349 F350 W351 K356 Y357 | A284-R353 PolarHBondContact O-NH1 2.94Å; S288-R353 PolarHBondContact OG-NH1 2.95Å; S288-R353 PolarHBondContact OG-NH2 2.82Å; E291-R353 IonicContact OE1-NE 2.81Å; E291-R353 IonicContact OE2-CZ 3.19Å; E291-R353 IonicContact OE2-NE 2.72Å; E291-R353 IonicContact OE2-NH2 2.86Å; E291-R353 PolarHBondContact OE2-NH2 3.42Å; Y337-R353 HydrophobicContact CE1-CB 4.4Å; Y337-R353 HydrophobicContact CE1-CG 4.31Å; Y337-R353 WeakPolarHBondContact OH-CD 3.37Å; Y337-R353 VanDerWaalsContact OH-CG 3.26Å; Y337-R353 WeakPolarHBondContact OH-CG 3.31Å; Y337-R353 PolarHBondContact OH-NE 2.85Å; H349-R353 VanDerWaalsContact O-CB 3.28Å; H349-R353 WeakPolarHBondContact O-CB 3.16Å; H349-R353 PolarHBondContact O-N 3.14Å; F350-R353 PolarHBondContact O-N 2.92Å; W351-R353 PolarHBondContact O-N 2.88Å; R353-K356 PolarHBondContact O-N 3.07Å; R353-Y357 WeakPolarHBondContact O-CB 3.14Å; R353-Y357 PolarHBondContact O-N 3.4Å |
| 354 | Y | 97.4 | Very high | 92.7 | Very high | 10 Ų | 10 | 32.4 Ų | 32.4 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.1 | -46 | 179.7 | -174.1 | -146.9 | 0 | 0 | 0 | 112.2 | Y337 E338 L341 F350 W351 K356 Y357 L358 V371 | Y337-Y354 VanDerWaalsContact CB-CE2 3.48Å; Y337-Y354 VanDerWaalsContact CD1-CB 3.45Å; Y337-Y354 AromaticContact CD1-CD2 3.66Å; Y337-Y354 HydrophobicContact CD1-CD2 3.66Å; Y337-Y354 AromaticContact CD1-CG 3.7Å; Y337-Y354 HydrophobicContact CD1-CG 3.7Å; Y337-Y354 AromaticContact CD2-CD2 3.51Å; Y337-Y354 HydrophobicContact CD2-CD2 3.51Å; Y337-Y354 AromaticContact CD2-CE2 3.94Å; Y337-Y354 HydrophobicContact CD2-CE2 3.94Å; Y337-Y354 HydrophobicContact CD2-CG 4.39Å; Y337-Y354 HydrophobicContact CE1-CD2 4.27Å; Y337-Y354 HydrophobicContact CE1-CG 4.35Å; Y337-Y354 HydrophobicContact CE2-CD2 4.15Å; Y337-Y354 AromaticContact CG-CD2 3.23Å; Y337-Y354 HydrophobicContact CG-CD2 3.23Å; Y337-Y354 AromaticContact CG-CE2 3.78Å; Y337-Y354 HydrophobicContact CG-CE2 3.78Å; Y337-Y354 AromaticContact CG-CG 3.72Å; Y337-Y354 HydrophobicContact CG-CG 3.72Å; E338-Y354 HydrophobicContact CG-CE1 4.19Å; E338-Y354 WeakPolarHBondContact OE1-CE1 3.39Å; E338-Y354 PolarHBondContact OE1-OH 3.23Å; L341-Y354 HydrophobicContact CD1-CD1 3.52Å; L341-Y354 HydrophobicContact CD1-CE1 4.1Å; L341-Y354 HydrophobicContact CD1-CG 4.38Å; F350-Y354 WeakPolarHBondContact O-CB 3.48Å; F350-Y354 PolarHBondContact O-N 3.46Å; W351-Y354 PolarHBondContact O-N 2.97Å; Y354-K356 VanDerWaalsContact C-N 3.35Å; Y354-K356 PolarHBondContact O-N 3.27Å; Y354-Y357 WeakPolarHBondContact O-CB 3.21Å; Y354-Y357 PolarHBondContact O-N 3.11Å; Y354-Y357 VanDerWaalsContact O-N 3.11Å; Y354-L358 HydrophobicContact CD1-CD1 4.45Å; Y354-L358 HydrophobicContact CD2-CD1 4.26Å; Y354-L358 HydrophobicContact CD2-CD2 4.49Å; Y354-L358 HydrophobicContact CD2-CG 4.06Å; Y354-L358 HydrophobicContact CE1-CD1 4.18Å; Y354-L358 HydrophobicContact CE2-CD1 3.94Å; Y354-L358 HydrophobicContact CE2-CD2 3.84Å; Y354-L358 HydrophobicContact CE2-CG 3.83Å; Y354-L358 WeakPolarHBondContact O-CG 3.18Å; Y354-L358 PolarHBondContact O-N 2.94Å; Y354-V371 HydrophobicContact CD1-CB 4.28Å; Y354-V371 HydrophobicContact CD1-CG1 3.66Å; Y354-V371 HydrophobicContact CD1-CG2 3.55Å; Y354-V371 HydrophobicContact CE1-CG1 4.37Å; Y354-V371 HydrophobicContact CE1-CG2 3.4Å; Y354-V371 VanDerWaalsContact CE1-CG2 3.4Å; Y354-V371 HydrophobicContact CG-CG1 4.38Å |
| 355 | A | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.3 | -38.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | W351 L358 E359 V371 W372 | W351-A355 WeakPolarHBondContact O-CB 3.45Å; W351-A355 PolarHBondContact O-N 3.18Å; A355-L358 PolarHBondContact O-N 3.43Å; A355-E359 VanDerWaalsContact O-CB 3.29Å; A355-E359 WeakPolarHBondContact O-CB 3.43Å; A355-E359 PolarHBondContact O-N 2.76Å; A355-V371 HydrophobicContact CB-CB 4.48Å; A355-V371 HydrophobicContact CB-CG1 4Å; A355-W372 HydrophobicContact CB-CD2 3.78Å; A355-W372 HydrophobicContact CB-CE3 4.23Å; A355-W372 HydrophobicContact CB-CG 4.32Å; A355-W372 HydrophobicContact CB-CH2 3.91Å; A355-W372 HydrophobicContact CB-CZ2 3.45Å; A355-W372 VanDerWaalsContact CB-CZ2 3.45Å; A355-W372 HydrophobicContact CB-CZ3 4.29Å |
| 356 | K | 95.4 | Very high | 92.7 | Very high | 69 Ų | 69 | 36.2 Ų | 36.2 | 30% | 0.3 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -62.7 | -37.2 | 170.5 | -74.3 | 175.1 | 179.8 | 175.6 | 0 | 112.2 | I352 R353 Y354 Y360 E942 | I352-K356 HydrophobicContact CG2-CD 3.92Å; I352-K356 HydrophobicContact CG2-CG 4.45Å; I352-K356 VanDerWaalsContact O-CB 3.3Å; I352-K356 WeakPolarHBondContact O-CB 3.44Å; I352-K356 WeakPolarHBondContact O-CG 3.5Å; I352-K356 PolarHBondContact O-N 2.94Å; R353-K356 PolarHBondContact O-N 3.07Å; Y354-K356 VanDerWaalsContact C-N 3.35Å; Y354-K356 PolarHBondContact O-N 3.27Å; K356-Y360 HydrophobicContact CB-CD2 4.12Å; K356-Y360 HydrophobicContact CB-CE2 4.35Å; K356-Y360 HydrophobicContact CG-CD2 4.47Å; K356-Y360 HydrophobicContact CG-CE2 4.2Å; K356-Y360 WeakPolarHBondContact O-CB 3.2Å; K356-Y360 VanDerWaalsContact O-CD2 3.23Å; K356-Y360 WeakPolarHBondContact O-CD2 3.49Å; K356-Y360 PolarHBondContact O-N 2.75Å; K356-E942 IonicContact NZ-OE1 2.71Å; K356-E942 PolarHBondContact NZ-OE1 3.07Å |
| 357 | Y | 95.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 35.7 Ų | 35.7 | 5% | 0.047 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.9 | -47.8 | 175.3 | 174.7 | -93.4 | 0 | 0 | 0 | 111.7 | E291 V333 Y337 R353 Y354 E359 T361 E362 | E291-Y357 HydrophobicContact CG-CD2 4.03Å; E291-Y357 HydrophobicContact CG-CE2 3.86Å; E291-Y357 VanDerWaalsContact OE1-CD2 3.25Å; E291-Y357 WeakPolarHBondContact OE1-CD2 3.49Å; V333-Y357 HydrophobicContact CB-CE1 4.42Å; V333-Y357 HydrophobicContact CG1-CD1 4.4Å; V333-Y357 HydrophobicContact CG1-CE1 3.71Å; V333-Y357 HydrophobicContact CG1-CE2 3.86Å; V333-Y357 VanDerWaalsContact CG1-CZ 3.41Å; V333-Y357 WeakPolarHBondContact CG1-OH 3.14Å; Y337-Y357 HydrophobicContact CD2-CD1 4.38Å; Y337-Y357 HydrophobicContact CE2-CD1 4.07Å; Y337-Y357 HydrophobicContact CE2-CD2 4.28Å; Y337-Y357 AromaticContact CE2-CG 3.88Å; Y337-Y357 HydrophobicContact CE2-CG 3.88Å; R353-Y357 WeakPolarHBondContact O-CB 3.14Å; R353-Y357 PolarHBondContact O-N 3.4Å; Y354-Y357 WeakPolarHBondContact O-CB 3.21Å; Y354-Y357 PolarHBondContact O-N 3.11Å; Y354-Y357 VanDerWaalsContact O-N 3.11Å; Y357-E359 VanDerWaalsContact C-N 3.34Å; Y357-E359 PolarHBondContact O-N 3.05Å; Y357-T361 HydrophobicContact CD2-CG2 3.98Å; Y357-T361 HydrophobicContact CE2-CG2 3.55Å; Y357-T361 WeakPolarHBondContact O-CA 3.21Å; Y357-T361 VanDerWaalsContact O-CB 3.27Å; Y357-T361 WeakPolarHBondContact O-CB 3.43Å; Y357-T361 PolarHBondContact O-N 2.75Å; Y357-E362 HydrophobicContact CD1-CG 4.35Å; Y357-E362 HydrophobicContact CE1-CG 3.67Å; Y357-E362 PolarHBondContact O-N 2.85Å |
| 358 | L | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -61 | -42.7 | 175.9 | -65.3 | 177 | 0 | 0 | 0 | 111.6 | Y354 A355 E362 G363 D364 A367 A368 V371 | Y354-L358 HydrophobicContact CD1-CD1 4.45Å; Y354-L358 HydrophobicContact CD2-CD1 4.26Å; Y354-L358 HydrophobicContact CD2-CD2 4.49Å; Y354-L358 HydrophobicContact CD2-CG 4.06Å; Y354-L358 HydrophobicContact CE1-CD1 4.18Å; Y354-L358 HydrophobicContact CE2-CD1 3.94Å; Y354-L358 HydrophobicContact CE2-CD2 3.84Å; Y354-L358 HydrophobicContact CE2-CG 3.83Å; Y354-L358 WeakPolarHBondContact O-CG 3.18Å; Y354-L358 PolarHBondContact O-N 2.94Å; A355-L358 PolarHBondContact O-N 3.43Å; L358-E362 WeakPolarHBondContact CD2-OE2 3.49Å; L358-G363 PolarHBondContact O-N 3.4Å; L358-D364 PolarHBondContact O-N 3.27Å; L358-A367 HydrophobicContact CD1-CB 4Å; L358-A368 HydrophobicContact CB-CB 3.84Å; L358-V371 HydrophobicContact CD1-CB 4.38Å; L358-V371 HydrophobicContact CD1-CG2 3.59Å |
| 359 | E | 93.8 | Very high | 93.5 | Very high | 8 Ų | 8 | 34.1 Ų | 34.1 | 4% | 0.037 | 18% | 0.18 | C | C | . | . | I | π-helix | trans | -64.8 | -56.2 | 177.5 | -176.7 | -178.4 | 174.3 | 0 | 0 | 112.8 | A355 Y357 I365 R396 Y397 | A355-E359 VanDerWaalsContact O-CB 3.29Å; A355-E359 WeakPolarHBondContact O-CB 3.43Å; A355-E359 PolarHBondContact O-N 2.76Å; Y357-E359 VanDerWaalsContact C-N 3.34Å; Y357-E359 PolarHBondContact O-N 3.05Å; E359-I365 HydrophobicContact CG-CD1 4.25Å; E359-R396 IonicContact OE1-CZ 3.25Å; E359-R396 IonicContact OE1-NE 2.74Å; E359-R396 PolarHBondContact OE1-NE 3.31Å; E359-R396 IonicContact OE1-NH2 3.73Å; E359-R396 PolarHBondContact OE1-NH2 3.41Å; E359-R396 IonicContact OE2-CZ 2.76Å; E359-R396 IonicContact OE2-NH2 3.41Å; E359-R396 PolarHBondContact OE2-NH2 3.38Å; E359-Y397 HydrophobicContact CG-CE2 4.03Å; E359-Y397 WeakPolarHBondContact OE1-CE2 3.41Å |
| 360 | Y | 93 | Very high | 93.6 | Very high | 151 Ų | 151 | 34.5 Ų | 34.5 | 59% | 0.592 | 18% | 0.182 | S | C | * | . | I | π-helix | trans | -97.6 | -23.8 | -167.5 | -62 | -66.8 | 0 | 0 | 0 | 115.2 | K356 | K356-Y360 HydrophobicContact CB-CD2 4.12Å; K356-Y360 HydrophobicContact CB-CE2 4.35Å; K356-Y360 HydrophobicContact CG-CD2 4.47Å; K356-Y360 HydrophobicContact CG-CE2 4.2Å; K356-Y360 WeakPolarHBondContact O-CB 3.2Å; K356-Y360 VanDerWaalsContact O-CD2 3.23Å; K356-Y360 WeakPolarHBondContact O-CD2 3.49Å; K356-Y360 PolarHBondContact O-N 2.75Å |
| 361 | T | 89.5 | Confident | 93.6 | Very high | 86 Ų | 86 | 34.5 Ų | 34.5 | 53% | 0.528 | 18% | 0.182 | S | C | . | . | I | π-helix | trans | -105.6 | -28.3 | -175.9 | -50.2 | 0 | 0 | 0 | 0 | 112.9 | Y357 | Y357-T361 HydrophobicContact CD2-CG2 3.98Å; Y357-T361 HydrophobicContact CE2-CG2 3.55Å; Y357-T361 WeakPolarHBondContact O-CA 3.21Å; Y357-T361 VanDerWaalsContact O-CB 3.27Å; Y357-T361 WeakPolarHBondContact O-CB 3.43Å; Y357-T361 PolarHBondContact O-N 2.75Å |
| 362 | E | 88.1 | Confident | 93.6 | Very high | 29 Ų | 29 | 34.7 Ų | 34.7 | 14% | 0.136 | 18% | 0.183 | C | C | . | . | I | π-helix | trans | -111.6 | -22.8 | 177.2 | -63.5 | -164.5 | 121.1 | 0 | 0 | 115.1 | K330 R334 Y357 L358 D364 | K330-E362 WeakPolarHBondContact CB-OE1 3.46Å; K330-E362 HydrophobicContact CD-CG 4.38Å; K330-E362 VanDerWaalsContact CD-OE1 3.3Å; K330-E362 WeakPolarHBondContact CD-OE1 3.48Å; K330-E362 WeakPolarHBondContact CG-OE1 3.33Å; R334-E362 IonicContact CZ-OE2 3.43Å; R334-E362 IonicContact NE-OE1 3.23Å; R334-E362 PolarHBondContact NE-OE1 2.9Å; R334-E362 IonicContact NE-OE2 2.67Å; R334-E362 PolarHBondContact NE-OE2 3.39Å; R334-E362 IonicContact NH2-OE1 2.59Å; R334-E362 IonicContact NH2-OE2 3.81Å; R334-E362 PolarHBondContact NH2-OE2 2.94Å; Y357-E362 HydrophobicContact CD1-CG 4.35Å; Y357-E362 HydrophobicContact CE1-CG 3.67Å; Y357-E362 PolarHBondContact O-N 2.85Å; L358-E362 WeakPolarHBondContact CD2-OE2 3.49Å; E362-D364 HydrophobicContact CB-CB 4.5Å; E362-D364 PolarHBondContact O-N 2.94Å |
| 363 | G | 88.7 | Confident | 93.6 | Very high | 50 Ų | 50 | 37 Ų | 37 | 52% | 0.515 | 19% | 0.191 | S | C | . | . | trans | 72.9 | 13.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | L358 I365 | L358-G363 PolarHBondContact O-N 3.4Å; G363-I365 VanDerWaalsContact C-N 3.31Å; G363-I365 PolarHBondContact O-N 3.36Å | ||
| 364 | D | 90.8 | Very high | 93.5 | Very high | 46 Ų | 46 | 36.5 Ų | 36.5 | 25% | 0.246 | 19% | 0.189 | C | C | . | . | trans | -86.6 | 71.9 | -176.2 | -166.8 | -16.2 | 0 | 0 | 0 | 110.3 | R334 L358 E362 A367 A368 | R334-D364 IonicContact CZ-OD2 2.85Å; R334-D364 VanDerWaalsContact CZ-OD2 3.25Å; R334-D364 IonicContact NH1-OD2 3.54Å; R334-D364 PolarHBondContact NH1-OD2 2.98Å; R334-D364 IonicContact NH2-OD2 3.66Å; R334-D364 PolarHBondContact NH2-OD2 3.48Å; L358-D364 PolarHBondContact O-N 3.27Å; E362-D364 HydrophobicContact CB-CB 4.5Å; E362-D364 PolarHBondContact O-N 2.94Å; D364-A367 HydrophobicContact CB-CB 4.11Å; D364-A367 PolarHBondContact O-N 3.19Å; D364-A367 VanDerWaalsContact OD1-CB 3.24Å; D364-A367 WeakPolarHBondContact OD1-CB 3.2Å; D364-A367 PolarHBondContact OD1-N 3.3Å; D364-A367 VanDerWaalsContact OD1-N 3.12Å; D364-A367 WeakPolarHBondContact OD2-CB 3.24Å; D364-A368 PolarHBondContact O-N 2.94Å | ||
| 365 | I | 92.5 | Very high | 93.3 | Very high | 27 Ų | 27 | 36 Ų | 36 | 14% | 0.138 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -56.5 | -43.1 | -178.3 | -53.3 | -53.9 | 0 | 0 | 0 | 112.5 | E359 G363 A367 A368 R369 F393 Y397 | E359-I365 HydrophobicContact CG-CD1 4.25Å; G363-I365 VanDerWaalsContact C-N 3.31Å; G363-I365 PolarHBondContact O-N 3.36Å; I365-A367 PolarHBondContact O-N 2.83Å; I365-A368 PolarHBondContact O-N 3.28Å; I365-R369 PolarHBondContact O-N 3.04Å; I365-F393 HydrophobicContact CG2-CE2 4.14Å; I365-F393 HydrophobicContact CG2-CZ 3.74Å; I365-Y397 HydrophobicContact CD1-CD1 4.38Å; I365-Y397 HydrophobicContact CD1-CD2 4.07Å; I365-Y397 HydrophobicContact CD1-CE1 4.15Å; I365-Y397 HydrophobicContact CD1-CE2 3.82Å; I365-Y397 HydrophobicContact CD1-CG 4.34Å; I365-Y397 HydrophobicContact CG1-CD1 4.36Å; I365-Y397 HydrophobicContact CG1-CE1 4.41Å; I365-Y397 HydrophobicContact CG2-CD1 4.31Å; I365-Y397 HydrophobicContact CG2-CD2 4.23Å; I365-Y397 HydrophobicContact CG2-CG 3.84Å |
| 366 | P | 92.2 | Very high | 93.1 | Very high | 53 Ų | 53 | 36 Ų | 36 | 34% | 0.344 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.9 | -38.1 | 176.9 | -23 | 35.7 | 0 | 0 | 0 | 113.2 | E370 | P366-E370 PolarHBondContact O-N 2.93Å; P366-E370 VanDerWaalsContact O-N 3.17Å |
| 367 | A | 92.8 | Very high | 92.9 | Very high | 25 Ų | 25 | 36.9 Ų | 36.9 | 21% | 0.207 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -69.1 | -40.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | L358 D364 I365 R369 E370 V371 | L358-A367 HydrophobicContact CD1-CB 4Å; D364-A367 HydrophobicContact CB-CB 4.11Å; D364-A367 PolarHBondContact O-N 3.19Å; D364-A367 VanDerWaalsContact OD1-CB 3.24Å; D364-A367 WeakPolarHBondContact OD1-CB 3.2Å; D364-A367 PolarHBondContact OD1-N 3.3Å; D364-A367 VanDerWaalsContact OD1-N 3.12Å; D364-A367 WeakPolarHBondContact OD2-CB 3.24Å; I365-A367 PolarHBondContact O-N 2.83Å; A367-R369 VanDerWaalsContact C-N 3.29Å; A367-R369 PolarHBondContact O-N 3.24Å; A367-E370 PolarHBondContact O-N 3.29Å; A367-V371 WeakPolarHBondContact O-CG2 3.48Å; A367-V371 PolarHBondContact O-N 3.44Å |
| 368 | A | 94.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.2 | -41.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L358 D364 I365 V371 W372 F393 | L358-A368 HydrophobicContact CB-CB 3.84Å; D364-A368 PolarHBondContact O-N 2.94Å; I365-A368 PolarHBondContact O-N 3.28Å; A368-V371 PolarHBondContact O-N 2.99Å; A368-W372 PolarHBondContact O-N 3.46Å; A368-F393 HydrophobicContact CB-CE2 3.76Å; A368-F393 HydrophobicContact CB-CZ 3.97Å |
| 369 | R | 94.4 | Very high | 92.3 | Very high | 1 Ų | 1 | 39.5 Ų | 39.5 | 0% | 0.004 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 174.7 | -168.6 | 172.5 | -64.3 | 94.7 | -0.9 | 112.5 | I365 A367 V371 W372 R373 F393 E394 Y397 D402 F407 | I365-R369 PolarHBondContact O-N 3.04Å; A367-R369 VanDerWaalsContact C-N 3.29Å; A367-R369 PolarHBondContact O-N 3.24Å; R369-V371 VanDerWaalsContact C-N 3.31Å; R369-V371 PolarHBondContact O-N 3.22Å; R369-W372 PolarHBondContact O-N 3.1Å; R369-R373 HydrophobicContact CG-CG 4.48Å; R369-R373 WeakPolarHBondContact O-CG 3.42Å; R369-R373 PolarHBondContact O-N 2.98Å; R369-F393 HydrophobicContact CB-CE1 3.71Å; R369-F393 HydrophobicContact CB-CZ 4Å; R369-F393 HydrophobicContact CG-CE1 4.04Å; R369-E394 WeakPolarHBondContact CD-OE1 3.25Å; R369-E394 WeakPolarHBondContact CG-OE1 3.39Å; R369-E394 IonicContact CZ-OE2 3.81Å; R369-E394 IonicContact NE-OE1 3.99Å; R369-E394 PolarHBondContact NE-OE1 3.45Å; R369-E394 IonicContact NE-OE2 3.81Å; R369-E394 PolarHBondContact NE-OE2 2.95Å; R369-E394 IonicContact NH2-OE2 3.62Å; R369-Y397 PolarHBondContact NH2-O 3.3Å; R369-D402 IonicContact CZ-OD1 2.75Å; R369-D402 IonicContact CZ-OD2 2.72Å; R369-D402 IonicContact NH1-OD1 3.08Å; R369-D402 PolarHBondContact NH1-OD1 2.92Å; R369-D402 IonicContact NH1-OD2 3.14Å; R369-D402 PolarHBondContact NH1-OD2 3.27Å; R369-D402 IonicContact NH2-OD1 2.75Å; R369-F407 HydrophobicContact CG-CD2 4.43Å |
| 370 | E | 93 | Very high | 91.9 | Very high | 76 Ų | 76 | 39.4 Ų | 39.4 | 36% | 0.355 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 177.4 | -176.9 | 54.6 | -148.9 | 0 | 0 | 111.8 | P366 A367 R373 R374 F407 | P366-E370 PolarHBondContact O-N 2.93Å; P366-E370 VanDerWaalsContact O-N 3.17Å; A367-E370 PolarHBondContact O-N 3.29Å; E370-R373 PolarHBondContact O-N 3.16Å; E370-R374 WeakPolarHBondContact O-CB 3.41Å; E370-R374 WeakPolarHBondContact O-CD 3.41Å; E370-R374 VanDerWaalsContact O-CG 3.29Å; E370-R374 WeakPolarHBondContact O-CG 3.19Å; E370-R374 PolarHBondContact O-N 3.46Å; E370-R374 WeakPolarHBondContact OE1-CD 3.5Å; E370-R374 WeakPolarHBondContact OE1-CG 3.48Å; E370-F407 VanDerWaalsContact OE2-CZ 3.3Å; E370-F407 WeakPolarHBondContact OE2-CZ 3.45Å |
| 371 | V | 95.6 | Very high | 91.6 | Very high | 3 Ų | 3 | 33.6 Ų | 33.6 | 2% | 0.018 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62 | -45.8 | 173.4 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | W351 Y354 A355 L358 A367 A368 R369 R373 A375 | W351-V371 HydrophobicContact CE3-CG1 3.96Å; Y354-V371 HydrophobicContact CD1-CB 4.28Å; Y354-V371 HydrophobicContact CD1-CG1 3.66Å; Y354-V371 HydrophobicContact CD1-CG2 3.55Å; Y354-V371 HydrophobicContact CE1-CG1 4.37Å; Y354-V371 HydrophobicContact CE1-CG2 3.4Å; Y354-V371 VanDerWaalsContact CE1-CG2 3.4Å; Y354-V371 HydrophobicContact CG-CG1 4.38Å; A355-V371 HydrophobicContact CB-CB 4.48Å; A355-V371 HydrophobicContact CB-CG1 4Å; L358-V371 HydrophobicContact CD1-CB 4.38Å; L358-V371 HydrophobicContact CD1-CG2 3.59Å; A367-V371 WeakPolarHBondContact O-CG2 3.48Å; A367-V371 PolarHBondContact O-N 3.44Å; A368-V371 PolarHBondContact O-N 2.99Å; R369-V371 VanDerWaalsContact C-N 3.31Å; R369-V371 PolarHBondContact O-N 3.22Å; V371-R373 PolarHBondContact O-N 2.96Å; V371-A375 WeakPolarHBondContact O-CB 3.4Å; V371-A375 PolarHBondContact O-N 3.19Å |
| 372 | W | 95.7 | Very high | 91.3 | Very high | 3 Ų | 3 | 33.1 Ų | 33.1 | 1% | 0.011 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.9 | -43.9 | 175.5 | -71.7 | 124.6 | 0 | 0 | 0 | 112.5 | I352 A355 A368 R369 A375 C376 I386 H389 W390 F393 | I352-W372 HydrophobicContact CB-CH2 4.33Å; I352-W372 HydrophobicContact CG1-CH2 4.09Å; I352-W372 HydrophobicContact CG1-CZ3 3.89Å; I352-W372 HydrophobicContact CG2-CH2 4.34Å; A355-W372 HydrophobicContact CB-CD2 3.78Å; A355-W372 HydrophobicContact CB-CE3 4.23Å; A355-W372 HydrophobicContact CB-CG 4.32Å; A355-W372 HydrophobicContact CB-CH2 3.91Å; A355-W372 HydrophobicContact CB-CZ2 3.45Å; A355-W372 VanDerWaalsContact CB-CZ2 3.45Å; A355-W372 HydrophobicContact CB-CZ3 4.29Å; A368-W372 PolarHBondContact O-N 3.46Å; R369-W372 PolarHBondContact O-N 3.1Å; W372-A375 PolarHBondContact O-N 3.18Å; W372-C376 WeakPolarHBondContact O-CB 3.39Å; W372-C376 PolarHBondContact O-N 3.34Å; W372-C376 PolarHBondContact O-SG 3.36Å; W372-I386 HydrophobicContact CE3-CG1 4.14Å; W372-I386 HydrophobicContact CZ3-CG1 3.89Å; W372-H389 HydrophobicContact CH2-CB 3.4Å; W372-H389 VanDerWaalsContact CH2-CB 3.4Å; W372-H389 HydrophobicContact CZ2-CB 4.13Å; W372-H389 HydrophobicContact CZ3-CB 3.7Å; W372-W390 HydrophobicContact CB-CB 3.99Å; W372-W390 VanDerWaalsContact CB-CD1 3.4Å; W372-W390 HydrophobicContact CB-CD2 4.42Å; W372-W390 HydrophobicContact CB-CG 3.67Å; W372-W390 HydrophobicContact CD2-CB 4Å; W372-W390 HydrophobicContact CE3-CB 3.97Å; W372-W390 HydrophobicContact CG-CB 4.04Å; W372-W390 AromaticContact CG-CD1 3.81Å; W372-W390 HydrophobicContact CG-CG 4.12Å; W372-F393 AromaticContact CD1-CD1 3.48Å; W372-F393 VanDerWaalsContact CD1-CD1 3.48Å; W372-F393 AromaticContact CD1-CD2 3.94Å; W372-F393 AromaticContact CD1-CE1 3.84Å; W372-F393 AromaticContact CD1-CG 3.54Å; W372-F393 AromaticContact NE1-CD1 3.75Å; W372-F393 AromaticContact NE1-CD2 3.43Å; W372-F393 AromaticContact NE1-CG 3.27Å; W372-F393 VanDerWaalsContact NE1-CG 3.27Å |
| 373 | R | 94.1 | Very high | 90.9 | Very high | 63 Ų | 63 | 33.3 Ų | 33.3 | 24% | 0.238 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.7 | -47.6 | 180 | -68.6 | -173.1 | 79.7 | -143.8 | 5.5 | 111.8 | R369 E370 V371 A375 C376 M377 W390 | R369-R373 HydrophobicContact CG-CG 4.48Å; R369-R373 WeakPolarHBondContact O-CG 3.42Å; R369-R373 PolarHBondContact O-N 2.98Å; E370-R373 PolarHBondContact O-N 3.16Å; V371-R373 PolarHBondContact O-N 2.96Å; R373-A375 VanDerWaalsContact C-N 3.29Å; R373-A375 PolarHBondContact O-N 3.38Å; R373-C376 PolarHBondContact O-N 2.89Å; R373-M377 HydrophobicContact CB-SD 4.33Å; R373-M377 HydrophobicContact CG-CE 4.41Å; R373-M377 WeakPolarHBondContact O-CB 3.46Å; R373-M377 WeakPolarHBondContact O-CG 3.25Å; R373-M377 PolarHBondContact O-N 2.94Å; R373-W390 HydrophobicContact CG-CZ2 4.04Å |
| 374 | R | 94.2 | Very high | 90.6 | Very high | 54 Ų | 54 | 31.5 Ų | 31.5 | 20% | 0.204 | 16% | 0.158 | C | C | . | . | I | π-helix | trans | -54.2 | -46.3 | 173.3 | -73.9 | 163.4 | 61.5 | -156 | 0.3 | 111.4 | Y49 E338 W351 E370 T378 H379 | Y49-R374 PolarHBondContact OH-NH2 2.88Å; E338-R374 IonicContact OE1-CZ 3.91Å; E338-R374 IonicContact OE1-NH1 2.75Å; E338-R374 PolarHBondContact OE1-NH1 3.11Å; E338-R374 IonicContact OE1-NH2 2.81Å; E338-R374 IonicContact OE2-CZ 2.76Å; E338-R374 IonicContact OE2-NH1 3.81Å; E338-R374 PolarHBondContact OE2-NH1 2.86Å; E338-R374 IonicContact OE2-NH2 3.78Å; E338-R374 PolarHBondContact OE2-NH2 3.3Å; W351-R374 HydrophobicContact CH2-CB 4.21Å; W351-R374 HydrophobicContact CZ3-CB 3.89Å; E370-R374 WeakPolarHBondContact O-CB 3.41Å; E370-R374 WeakPolarHBondContact O-CD 3.41Å; E370-R374 VanDerWaalsContact O-CG 3.29Å; E370-R374 WeakPolarHBondContact O-CG 3.19Å; E370-R374 PolarHBondContact O-N 3.46Å; E370-R374 WeakPolarHBondContact OE1-CD 3.5Å; E370-R374 WeakPolarHBondContact OE1-CG 3.48Å; R374-T378 VanDerWaalsContact O-CB 3.31Å; R374-T378 WeakPolarHBondContact O-CB 3.44Å; R374-T378 PolarHBondContact O-N 3.48Å; R374-H379 PolarHBondContact O-CD2 2.93Å; R374-H379 PolarHBondContact O-N 3.45Å |
| 375 | A | 93.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.155 | C | C | . | . | I | π-helix | trans | -62.9 | -52.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W351 V371 W372 R373 H379 L380 I386 | W351-A375 HydrophobicContact CB-CB 3.95Å; W351-A375 HydrophobicContact CD2-CB 3.46Å; W351-A375 VanDerWaalsContact CD2-CB 3.46Å; W351-A375 HydrophobicContact CE3-CB 3.43Å; W351-A375 VanDerWaalsContact CE3-CB 3.43Å; W351-A375 HydrophobicContact CG-CB 3.73Å; W351-A375 HydrophobicContact CZ3-CB 4.07Å; V371-A375 WeakPolarHBondContact O-CB 3.4Å; V371-A375 PolarHBondContact O-N 3.19Å; W372-A375 PolarHBondContact O-N 3.18Å; R373-A375 VanDerWaalsContact C-N 3.29Å; R373-A375 PolarHBondContact O-N 3.38Å; A375-H379 PolarHBondContact O-N 2.91Å; A375-L380 WeakPolarHBondContact O-CA 3.31Å; A375-L380 WeakPolarHBondContact O-CB 3.47Å; A375-L380 PolarHBondContact O-N 3.47Å; A375-I386 HydrophobicContact CB-CD1 3.39Å; A375-I386 HydrophobicContact CB-CG1 4.45Å |
| 376 | C | 92.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -81.1 | -33.7 | -170.4 | -60.1 | 0 | 0 | 0 | 0 | 113.9 | W372 R373 P381 W390 | W372-C376 WeakPolarHBondContact O-CB 3.39Å; W372-C376 PolarHBondContact O-N 3.34Å; W372-C376 PolarHBondContact O-SG 3.36Å; R373-C376 PolarHBondContact O-N 2.89Å; C376-P381 VanDerWaalsContact O-CA 3.31Å; C376-P381 WeakPolarHBondContact O-CA 3.46Å; C376-W390 HydrophobicContact CB-CD2 4.35Å; C376-W390 HydrophobicContact CB-CE3 3.46Å; C376-W390 VanDerWaalsContact CB-CE3 3.46Å; C376-W390 HydrophobicContact CB-CZ3 3.76Å |
| 377 | M | 90.6 | Very high | 90.1 | Very high | 87 Ų | 87 | 27 Ų | 27 | 43% | 0.429 | 13% | 0.132 | S | C | . | . | I | π-helix | trans | -89 | -26.7 | -177.3 | -59.6 | -173.1 | 170.5 | 0 | 0 | 113.3 | R373 W390 | R373-M377 HydrophobicContact CB-SD 4.33Å; R373-M377 HydrophobicContact CG-CE 4.41Å; R373-M377 WeakPolarHBondContact O-CB 3.46Å; R373-M377 WeakPolarHBondContact O-CG 3.25Å; R373-M377 PolarHBondContact O-N 2.94Å; M377-W390 HydrophobicContact CE-CH2 3.46Å; M377-W390 VanDerWaalsContact CE-CH2 3.46Å; M377-W390 HydrophobicContact CE-CZ2 3.96Å; M377-W390 HydrophobicContact CE-CZ3 4.41Å |
| 378 | T | 89 | Confident | 90 | Very high | 45 Ų | 45 | 28.9 Ų | 28.9 | 28% | 0.276 | 13% | 0.134 | S | C | . | . | I | π-helix | trans | -113.3 | -55 | -173.1 | -44.7 | 0 | 0 | 0 | 0 | 113.2 | P48 R374 | P48-T378 HydrophobicContact CG-CG2 3.79Å; R374-T378 VanDerWaalsContact O-CB 3.31Å; R374-T378 WeakPolarHBondContact O-CB 3.44Å; R374-T378 PolarHBondContact O-N 3.48Å |
| 379 | H | 88.6 | Confident | 89.9 | Confident | 22 Ų | 22 | 29.8 Ų | 29.8 | 10% | 0.102 | 14% | 0.138 | C | C | . | . | I | π-helix | trans | -93.5 | -35.4 | -168.7 | -63 | -80.2 | 0 | 0 | 0 | 114.7 | Y49 W351 R374 A375 | Y49-H379 AromaticContact CD2-CE1 3.48Å; Y49-H379 VanDerWaalsContact CD2-CE1 3.48Å; Y49-H379 WeakPolarHBondContact CD2-CE1 3.44Å; Y49-H379 AromaticContact CE1-CE1 3.86Å; Y49-H379 AromaticContact CE1-NE2 3.82Å; Y49-H379 AromaticContact CE2-CE1 3.32Å; Y49-H379 WeakPolarHBondContact CE2-CE1 3.38Å; Y49-H379 AromaticContact CE2-NE2 3.54Å; Y49-H379 AromaticContact CG-CE1 3.84Å; Y49-H379 AromaticContact CZ-CE1 3.54Å; Y49-H379 AromaticContact CZ-NE2 3.35Å; W351-H379 AromaticContact CH2-CD2 3.31Å; W351-H379 WeakPolarHBondContact CH2-CD2 3.37Å; W351-H379 AromaticContact CH2-NE2 3.66Å; W351-H379 HydrophobicContact CZ2-CB 4.03Å; W351-H379 AromaticContact CZ2-CD2 3.26Å; W351-H379 WeakPolarHBondContact CZ2-CD2 3.49Å; W351-H379 AromaticContact CZ2-CG 3.65Å; W351-H379 AromaticContact CZ2-NE2 3.8Å; R374-H379 PolarHBondContact O-CD2 2.93Å; R374-H379 PolarHBondContact O-N 3.45Å; A375-H379 PolarHBondContact O-N 2.91Å |
| 380 | L | 86.9 | Confident | 89.9 | Confident | 7 Ų | 7 | 30 Ų | 30 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | trans | -127.4 | 41.9 | -170.6 | -59.9 | 174.6 | 0 | 0 | 0 | 114 | E348 W351 A375 Y382 K383 I386 H387 | E348-L380 HydrophobicContact CB-CD1 3.76Å; W351-L380 HydrophobicContact CG-CD1 4.39Å; A375-L380 WeakPolarHBondContact O-CA 3.31Å; A375-L380 WeakPolarHBondContact O-CB 3.47Å; A375-L380 PolarHBondContact O-N 3.47Å; L380-Y382 PolarHBondContact O-N 3.42Å; L380-K383 HydrophobicContact CB-CB 4.37Å; L380-K383 HydrophobicContact CB-CG 4.41Å; L380-K383 HydrophobicContact CD2-CD 3.91Å; L380-K383 HydrophobicContact CD2-CG 4.23Å; L380-K383 PolarHBondContact O-N 2.87Å; L380-K383 VanDerWaalsContact O-N 3.11Å; L380-I386 HydrophobicContact CB-CG2 4.17Å; L380-I386 HydrophobicContact CD1-CD1 3.7Å; L380-I386 HydrophobicContact CD1-CG2 4.46Å; L380-H387 PolarHBondContact O-CE1 3.41Å | ||
| 381 | P | 86.8 | Confident | 89.8 | Confident | 29 Ų | 29 | 26.4 Ų | 26.4 | 19% | 0.188 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -7.7 | -174.6 | 28.1 | -36.4 | 0 | 0 | 0 | 115.4 | C376 R422 | C376-P381 VanDerWaalsContact O-CA 3.31Å; C376-P381 WeakPolarHBondContact O-CA 3.46Å; P381-R422 PolarHBondContact O-NH1 3.09Å |
| 382 | Y | 82.1 | Confident | 89.6 | Confident | 75 Ų | 75 | 27.6 Ų | 27.6 | 29% | 0.294 | 13% | 0.13 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -117.9 | 9.3 | 178.5 | -55.1 | -75 | 0 | 0 | 0 | 113.7 | T15 L380 R422 L423 | T15-Y382 HydrophobicContact CG2-CD2 4.28Å; T15-Y382 HydrophobicContact CG2-CE2 4.02Å; L380-Y382 PolarHBondContact O-N 3.42Å; Y382-R422 HydrophobicContact CE1-CB 4.3Å; Y382-L423 HydrophobicContact CD1-CD2 4.02Å; Y382-L423 HydrophobicContact CD1-CG 4.42Å |
| 383 | K | 80.8 | Confident | 89.5 | Confident | 33 Ų | 33 | 27.4 Ų | 27.4 | 14% | 0.143 | 13% | 0.13 | C | C | . | . | trans | -96.9 | 116.9 | 174.8 | -63.1 | -154 | 179 | -179.4 | 0 | 110.9 | L346 E348 L380 I386 H387 T937 | L346-K383 PolarHBondContact O-NZ 3.03Å; E348-K383 HydrophobicContact CB-CD 4.41Å; E348-K383 WeakPolarHBondContact OE1-CD 3.44Å; L380-K383 HydrophobicContact CB-CB 4.37Å; L380-K383 HydrophobicContact CB-CG 4.41Å; L380-K383 HydrophobicContact CD2-CD 3.91Å; L380-K383 HydrophobicContact CD2-CG 4.23Å; L380-K383 PolarHBondContact O-N 2.87Å; L380-K383 VanDerWaalsContact O-N 3.11Å; K383-I386 HydrophobicContact CB-CG2 4.08Å; K383-I386 WeakPolarHBondContact O-CG2 3.5Å; K383-H387 PolarHBondContact O-ND1 2.87Å; K383-T937 PolarHBondContact NZ-OG1 2.93Å | ||
| 384 | P | 82.7 | Confident | 89.4 | Confident | 13 Ų | 13 | 24.7 Ų | 24.7 | 8% | 0.084 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -81.6 | -15.4 | -171.6 | 31.2 | -36.3 | 0 | 0 | 0 | 114.6 | W388 L419 L428 V429 R432 A920 | P384-W388 PolarHBondContact O-N 3.47Å; P384-L419 HydrophobicContact CB-CD2 4.01Å; P384-L428 HydrophobicContact CG-CD2 4.03Å; P384-V429 HydrophobicContact CB-CG2 3.72Å; P384-R432 PolarHBondContact O-NH1 3.3Å; P384-A920 HydrophobicContact CG-CB 4.07Å |
| 385 | T | 85.6 | Confident | 89.2 | Confident | 30 Ų | 30 | 25.5 Ų | 25.5 | 18% | 0.184 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -79.8 | -46.6 | -179.3 | -71.4 | 0 | 0 | 0 | 0 | 111.8 | E348 H387 W388 H389 R432 | E348-T385 WeakPolarHBondContact OE2-CB 3.23Å; T385-H387 VanDerWaalsContact C-N 3.33Å; T385-H387 PolarHBondContact O-N 2.91Å; T385-W388 WeakPolarHBondContact O-CB 3.34Å; T385-W388 PolarHBondContact O-N 3.05Å; T385-H389 PolarHBondContact O-CD2 3.4Å; T385-H389 PolarHBondContact O-N 2.94Å; T385-H389 VanDerWaalsContact O-N 3.13Å; T385-R432 VanDerWaalsContact CA-NH1 3.3Å; T385-R432 PolarHBondContact OG1-NH1 2.9Å; T385-R432 VanDerWaalsContact OG1-NH1 3.12Å; T385-R432 PolarHBondContact OG1-NH2 2.7Å |
| 386 | I | 87.7 | Confident | 89 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.5 | -41.5 | 172 | -161.5 | 170.3 | 0 | 0 | 0 | 113.9 | E348 W351 I352 W372 A375 L380 K383 W388 H389 W390 | E348-I386 HydrophobicContact CB-CB 4.13Å; E348-I386 HydrophobicContact CB-CD1 4.22Å; E348-I386 PolarHBondContact OE2-N 3.33Å; W351-I386 HydrophobicContact CB-CD1 3.61Å; W351-I386 HydrophobicContact CG-CD1 4.14Å; I352-I386 HydrophobicContact CD1-CB 4.47Å; I352-I386 HydrophobicContact CD1-CG1 4.49Å; I352-I386 HydrophobicContact CG1-CG1 4.07Å; W372-I386 HydrophobicContact CE3-CG1 4.14Å; W372-I386 HydrophobicContact CZ3-CG1 3.89Å; A375-I386 HydrophobicContact CB-CD1 3.39Å; A375-I386 HydrophobicContact CB-CG1 4.45Å; L380-I386 HydrophobicContact CB-CG2 4.17Å; L380-I386 HydrophobicContact CD1-CD1 3.7Å; L380-I386 HydrophobicContact CD1-CG2 4.46Å; K383-I386 HydrophobicContact CB-CG2 4.08Å; K383-I386 WeakPolarHBondContact O-CG2 3.5Å; I386-W388 VanDerWaalsContact C-N 3.27Å; I386-W388 PolarHBondContact O-N 2.82Å; I386-H389 PolarHBondContact O-N 2.68Å; I386-W390 PolarHBondContact O-N 2.99Å |
| 387 | H | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62 | -32.5 | 175.2 | -77.6 | 80.7 | 0 | 0 | 0 | 112.9 | L380 K383 T385 G391 I415 L419 R422 | L380-H387 PolarHBondContact O-CE1 3.41Å; K383-H387 PolarHBondContact O-ND1 2.87Å; T385-H387 VanDerWaalsContact C-N 3.33Å; T385-H387 PolarHBondContact O-N 2.91Å; H387-G391 PolarHBondContact O-N 3.17Å; H387-I415 HydrophobicContact CB-CG2 4.35Å; H387-L419 HydrophobicContact CB-CD2 3.78Å; H387-R422 PolarHBondContact CE1-NH1 2.95Å; H387-R422 PolarHBondContact NE2-NH1 3.03Å; H387-R422 PolarHBondContact NE2-NH2 2.95Å |
| 388 | W | 90.1 | Very high | 88.7 | Confident | 66 Ų | 66 | 32 Ų | 32 | 25% | 0.25 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -69.9 | -43.2 | 175.1 | 175.9 | 72.2 | 0 | 0 | 0 | 111.9 | P384 T385 I386 W390 G391 C392 | P384-W388 PolarHBondContact O-N 3.47Å; T385-W388 WeakPolarHBondContact O-CB 3.34Å; T385-W388 PolarHBondContact O-N 3.05Å; I386-W388 VanDerWaalsContact C-N 3.27Å; I386-W388 PolarHBondContact O-N 2.82Å; W388-W390 VanDerWaalsContact C-N 3.35Å; W388-W390 PolarHBondContact O-N 3.5Å; W388-G391 PolarHBondContact O-N 3.45Å; W388-C392 VanDerWaalsContact CE2-SG 3.59Å; W388-C392 WeakPolarHBondContact O-CB 3.34Å; W388-C392 PolarHBondContact O-N 2.94Å; W388-C392 PolarHBondContact O-SG 2.9Å |
| 389 | H | 92.3 | Very high | 88.3 | Confident | 19 Ų | 19 | 29.9 Ų | 29.9 | 9% | 0.088 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 175.1 | -65.5 | -77.1 | 0 | 0 | 0 | 112 | W372 T385 I386 C392 F393 E942 | W372-H389 HydrophobicContact CH2-CB 3.4Å; W372-H389 VanDerWaalsContact CH2-CB 3.4Å; W372-H389 HydrophobicContact CZ2-CB 4.13Å; W372-H389 HydrophobicContact CZ3-CB 3.7Å; T385-H389 PolarHBondContact O-CD2 3.4Å; T385-H389 PolarHBondContact O-N 2.94Å; T385-H389 VanDerWaalsContact O-N 3.13Å; I386-H389 PolarHBondContact O-N 2.68Å; H389-C392 PolarHBondContact O-N 3.37Å; H389-F393 WeakPolarHBondContact O-CB 3.42Å; H389-F393 PolarHBondContact O-N 3.49Å; H389-E942 IonicContact CE1-OE2 3.31Å |
| 390 | W | 94.5 | Very high | 87.9 | Confident | 6 Ų | 6 | 32.8 Ų | 32.8 | 2% | 0.023 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62 | -48.7 | 174 | 174.1 | 31.1 | 0 | 0 | 0 | 111.9 | W372 R373 C376 M377 I386 W388 C392 F393 E394 L410 I415 | W372-W390 HydrophobicContact CB-CB 3.99Å; W372-W390 VanDerWaalsContact CB-CD1 3.4Å; W372-W390 HydrophobicContact CB-CD2 4.42Å; W372-W390 HydrophobicContact CB-CG 3.67Å; W372-W390 HydrophobicContact CD2-CB 4Å; W372-W390 HydrophobicContact CE3-CB 3.97Å; W372-W390 HydrophobicContact CG-CB 4.04Å; W372-W390 AromaticContact CG-CD1 3.81Å; W372-W390 HydrophobicContact CG-CG 4.12Å; R373-W390 HydrophobicContact CG-CZ2 4.04Å; C376-W390 HydrophobicContact CB-CD2 4.35Å; C376-W390 HydrophobicContact CB-CE3 3.46Å; C376-W390 VanDerWaalsContact CB-CE3 3.46Å; C376-W390 HydrophobicContact CB-CZ3 3.76Å; M377-W390 HydrophobicContact CE-CH2 3.46Å; M377-W390 VanDerWaalsContact CE-CH2 3.46Å; M377-W390 HydrophobicContact CE-CZ2 3.96Å; M377-W390 HydrophobicContact CE-CZ3 4.41Å; I386-W390 PolarHBondContact O-N 2.99Å; W388-W390 VanDerWaalsContact C-N 3.35Å; W388-W390 PolarHBondContact O-N 3.5Å; W390-C392 VanDerWaalsContact C-N 3.33Å; W390-C392 PolarHBondContact O-N 3.22Å; W390-F393 WeakPolarHBondContact O-CA 3.46Å; W390-F393 WeakPolarHBondContact O-CB 3.29Å; W390-F393 PolarHBondContact O-N 3.33Å; W390-E394 PolarHBondContact NE1-OE1 2.98Å; W390-E394 PolarHBondContact O-N 3.02Å; W390-L410 HydrophobicContact CH2-CD1 4.02Å; W390-L410 HydrophobicContact CZ2-CD1 3.73Å; W390-I415 HydrophobicContact CD2-CD1 3.73Å; W390-I415 HydrophobicContact CD2-CG1 4.34Å; W390-I415 HydrophobicContact CD2-CG2 4.27Å; W390-I415 HydrophobicContact CE3-CD1 4.07Å; W390-I415 HydrophobicContact CE3-CG1 4.18Å; W390-I415 HydrophobicContact CE3-CG2 3.59Å; W390-I415 HydrophobicContact CG-CD1 4.21Å; W390-I415 HydrophobicContact CH2-CD1 4.03Å; W390-I415 HydrophobicContact CH2-CG1 3.78Å; W390-I415 HydrophobicContact CH2-CG2 4.45Å; W390-I415 HydrophobicContact CZ2-CD1 3.72Å; W390-I415 HydrophobicContact CZ2-CG1 3.98Å; W390-I415 HydrophobicContact CZ3-CB 4.42Å; W390-I415 HydrophobicContact CZ3-CD1 4.21Å; W390-I415 HydrophobicContact CZ3-CG1 3.91Å; W390-I415 HydrophobicContact CZ3-CG2 3.71Å |
| 391 | G | 92.7 | Very high | 87.5 | Confident | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -58.6 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | H387 W388 F393 E394 D395 C412 | H387-G391 PolarHBondContact O-N 3.17Å; W388-G391 PolarHBondContact O-N 3.45Å; G391-F393 PolarHBondContact O-N 3.36Å; G391-E394 PolarHBondContact O-N 3Å; G391-D395 PolarHBondContact O-N 3.43Å; G391-C412 WeakPolarHBondContact O-CB 3.44Å |
| 392 | C | 91 | Very high | 87.2 | Confident | 27 Ų | 27 | 36.7 Ų | 36.7 | 18% | 0.182 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.2 | -27.2 | 173.6 | -71.3 | 0 | 0 | 0 | 0 | 113.1 | W388 H389 W390 R396 | W388-C392 VanDerWaalsContact CE2-SG 3.59Å; W388-C392 WeakPolarHBondContact O-CB 3.34Å; W388-C392 PolarHBondContact O-N 2.94Å; W388-C392 PolarHBondContact O-SG 2.9Å; H389-C392 PolarHBondContact O-N 3.37Å; W390-C392 VanDerWaalsContact C-N 3.33Å; W390-C392 PolarHBondContact O-N 3.22Å; C392-R396 WeakPolarHBondContact O-CG 3.33Å; C392-R396 PolarHBondContact O-N 2.87Å; C392-R396 PolarHBondContact O-NH1 3.47Å |
| 393 | F | 93.4 | Very high | 87 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -73.7 | -44.4 | 174.9 | 163.8 | -85 | 0 | 0 | 0 | 111.6 | I365 A368 R369 W372 H389 W390 G391 D395 R396 Y397 | I365-F393 HydrophobicContact CG2-CE2 4.14Å; I365-F393 HydrophobicContact CG2-CZ 3.74Å; A368-F393 HydrophobicContact CB-CE2 3.76Å; A368-F393 HydrophobicContact CB-CZ 3.97Å; R369-F393 HydrophobicContact CB-CE1 3.71Å; R369-F393 HydrophobicContact CB-CZ 4Å; R369-F393 HydrophobicContact CG-CE1 4.04Å; W372-F393 AromaticContact CD1-CD1 3.48Å; W372-F393 VanDerWaalsContact CD1-CD1 3.48Å; W372-F393 AromaticContact CD1-CD2 3.94Å; W372-F393 AromaticContact CD1-CE1 3.84Å; W372-F393 AromaticContact CD1-CG 3.54Å; W372-F393 AromaticContact NE1-CD1 3.75Å; W372-F393 AromaticContact NE1-CD2 3.43Å; W372-F393 AromaticContact NE1-CG 3.27Å; W372-F393 VanDerWaalsContact NE1-CG 3.27Å; H389-F393 WeakPolarHBondContact O-CB 3.42Å; H389-F393 PolarHBondContact O-N 3.49Å; W390-F393 WeakPolarHBondContact O-CA 3.46Å; W390-F393 WeakPolarHBondContact O-CB 3.29Å; W390-F393 PolarHBondContact O-N 3.33Å; G391-F393 PolarHBondContact O-N 3.36Å; F393-D395 VanDerWaalsContact C-N 3.32Å; F393-D395 PolarHBondContact O-N 2.68Å; F393-R396 WeakPolarHBondContact O-CB 3.27Å; F393-R396 PolarHBondContact O-N 2.52Å; F393-Y397 HydrophobicContact CD2-CD2 4.03Å; F393-Y397 AromaticContact CE2-CD2 3.92Å; F393-Y397 HydrophobicContact CE2-CD2 3.92Å; F393-Y397 PolarHBondContact O-N 3Å |
| 394 | E | 92.2 | Very high | 86.8 | Confident | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.028 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.7 | -34.7 | 174.4 | -54.6 | -69.2 | -179.5 | 0 | 0 | 111.5 | R369 W390 G391 R396 Y397 P398 L410 I415 | R369-E394 WeakPolarHBondContact CD-OE1 3.25Å; R369-E394 WeakPolarHBondContact CG-OE1 3.39Å; R369-E394 IonicContact CZ-OE2 3.81Å; R369-E394 IonicContact NE-OE1 3.99Å; R369-E394 PolarHBondContact NE-OE1 3.45Å; R369-E394 IonicContact NE-OE2 3.81Å; R369-E394 PolarHBondContact NE-OE2 2.95Å; R369-E394 IonicContact NH2-OE2 3.62Å; W390-E394 PolarHBondContact NE1-OE1 2.98Å; W390-E394 PolarHBondContact O-N 3.02Å; G391-E394 PolarHBondContact O-N 3Å; E394-R396 PolarHBondContact O-N 3.47Å; E394-Y397 CarbonylContact O-C 3.57Å; E394-Y397 VanDerWaalsContact O-C 3.23Å; E394-Y397 PolarHBondContact O-N 2.87Å; E394-P398 WeakPolarHBondContact O-CA 3.4Å; E394-P398 WeakPolarHBondContact O-CD 3.24Å; E394-P398 VanDerWaalsContact O-N 3.12Å; E394-L410 WeakPolarHBondContact CB-O 3.49Å; E394-I415 HydrophobicContact CG-CD1 3.9Å |
| 395 | D | 89 | Confident | 86.6 | Confident | 71 Ų | 71 | 46.7 Ų | 46.7 | 38% | 0.38 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.6 | 170.3 | -78.2 | 4.8 | 0 | 0 | 0 | 112.2 | G391 F393 C412 R439 | G391-D395 PolarHBondContact O-N 3.43Å; F393-D395 VanDerWaalsContact C-N 3.32Å; F393-D395 PolarHBondContact O-N 2.68Å; D395-C412 WeakPolarHBondContact OD1-CB 3.46Å; D395-C412 PolarHBondContact OD1-N 2.67Å; D395-C412 WeakPolarHBondContact OD2-CB 3.41Å; D395-R439 IonicContact OD2-CZ 2.77Å; D395-R439 IonicContact OD2-NE 3.78Å; D395-R439 IonicContact OD2-NH2 2.83Å; D395-R439 PolarHBondContact OD2-NH2 3.31Å |
| 396 | R | 89.6 | Confident | 86.3 | Confident | 103 Ų | 103 | 52.2 Ų | 52.2 | 39% | 0.389 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -41.5 | 174.2 | -75.1 | -167.8 | -58.9 | -71.4 | 10.9 | 112.7 | E359 C392 F393 E394 | E359-R396 IonicContact OE1-CZ 3.25Å; E359-R396 IonicContact OE1-NE 2.74Å; E359-R396 PolarHBondContact OE1-NE 3.31Å; E359-R396 IonicContact OE1-NH2 3.73Å; E359-R396 PolarHBondContact OE1-NH2 3.41Å; E359-R396 IonicContact OE2-CZ 2.76Å; E359-R396 IonicContact OE2-NH2 3.41Å; E359-R396 PolarHBondContact OE2-NH2 3.38Å; C392-R396 WeakPolarHBondContact O-CG 3.33Å; C392-R396 PolarHBondContact O-N 2.87Å; C392-R396 PolarHBondContact O-NH1 3.47Å; F393-R396 WeakPolarHBondContact O-CB 3.27Å; F393-R396 PolarHBondContact O-N 2.52Å; E394-R396 PolarHBondContact O-N 3.47Å |
| 397 | Y | 89.4 | Confident | 86 | Confident | 76 Ų | 76 | 55 Ų | 55 | 30% | 0.298 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -132.3 | 85.2 | -175.5 | -54.8 | -73.9 | 0 | 0 | 0 | 109.6 | E359 I365 R369 F393 E394 | E359-Y397 HydrophobicContact CG-CE2 4.03Å; E359-Y397 WeakPolarHBondContact OE1-CE2 3.41Å; I365-Y397 HydrophobicContact CD1-CD1 4.38Å; I365-Y397 HydrophobicContact CD1-CD2 4.07Å; I365-Y397 HydrophobicContact CD1-CE1 4.15Å; I365-Y397 HydrophobicContact CD1-CE2 3.82Å; I365-Y397 HydrophobicContact CD1-CG 4.34Å; I365-Y397 HydrophobicContact CG1-CD1 4.36Å; I365-Y397 HydrophobicContact CG1-CE1 4.41Å; I365-Y397 HydrophobicContact CG2-CD1 4.31Å; I365-Y397 HydrophobicContact CG2-CD2 4.23Å; I365-Y397 HydrophobicContact CG2-CG 3.84Å; R369-Y397 PolarHBondContact NH2-O 3.3Å; F393-Y397 HydrophobicContact CD2-CD2 4.03Å; F393-Y397 AromaticContact CE2-CD2 3.92Å; F393-Y397 HydrophobicContact CE2-CD2 3.92Å; F393-Y397 PolarHBondContact O-N 3Å; E394-Y397 CarbonylContact O-C 3.57Å; E394-Y397 VanDerWaalsContact O-C 3.23Å; E394-Y397 PolarHBondContact O-N 2.87Å |
| 398 | P | 86.8 | Confident | 85.7 | Confident | 43 Ų | 43 | 63 Ų | 63 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | trans | -61.9 | 143.5 | 175.3 | -25.3 | 35.7 | 0 | 0 | 0 | 111.5 | E394 C400 L401 V409 | E394-P398 WeakPolarHBondContact O-CA 3.4Å; E394-P398 WeakPolarHBondContact O-CD 3.24Å; E394-P398 VanDerWaalsContact O-N 3.12Å; P398-C400 PolarHBondContact O-N 3.08Å; P398-L401 WeakPolarHBondContact O-CB 3.35Å; P398-L401 PolarHBondContact O-N 3.41Å; P398-V409 HydrophobicContact CB-CG1 4.15Å | ||
| 399 | A | 82.1 | Confident | 85.3 | Confident | 1 Ų | 1 | 63.7 Ų | 63.7 | 1% | 0.008 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -59.9 | -14.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | L401 D402 V409 | A399-L401 PolarHBondContact O-N 2.84Å; A399-D402 WeakPolarHBondContact O-CB 3.42Å; A399-D402 PolarHBondContact O-N 3.36Å; A399-V409 HydrophobicContact CB-CG2 4.42Å |
| 400 | C | 80.4 | Confident | 85.1 | Confident | 83 Ų | 83 | 64.7 Ų | 64.7 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -72 | -8.6 | 171.8 | 59.5 | 0 | 0 | 0 | 0 | 114.4 | P398 V409 | P398-C400 PolarHBondContact O-N 3.08Å; C400-V409 HydrophobicContact CB-CG2 3.86Å |
| 401 | L | 78.8 | Confident | 84.8 | Confident | 108 Ų | 108 | 67.1 Ų | 67.1 | 57% | 0.565 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -85.2 | -13.2 | 171.8 | -58.2 | -179 | 0 | 0 | 0 | 112.8 | P398 A399 N403 | P398-L401 WeakPolarHBondContact O-CB 3.35Å; P398-L401 PolarHBondContact O-N 3.41Å; A399-L401 PolarHBondContact O-N 2.84Å; L401-N403 PolarHBondContact O-ND2 3.35Å; L401-N403 VanDerWaalsContact O-ND2 3.09Å |
| 402 | D | 80 | Confident | 84.7 | Confident | 10 Ų | 10 | 67.1 Ų | 67.1 | 5% | 0.053 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -68.8 | 138 | 174.6 | -77.1 | 5.6 | 0 | 0 | 0 | 110.5 | R369 A399 P404 P405 | R369-D402 IonicContact CZ-OD1 2.75Å; R369-D402 IonicContact CZ-OD2 2.72Å; R369-D402 IonicContact NH1-OD1 3.08Å; R369-D402 PolarHBondContact NH1-OD1 2.92Å; R369-D402 IonicContact NH1-OD2 3.14Å; R369-D402 PolarHBondContact NH1-OD2 3.27Å; R369-D402 IonicContact NH2-OD1 2.75Å; A399-D402 WeakPolarHBondContact O-CB 3.42Å; A399-D402 PolarHBondContact O-N 3.36Å; D402-P404 CarbonylContact O-C 3.29Å; D402-P405 VanDerWaalsContact O-CD 3.31Å; D402-P405 WeakPolarHBondContact O-CD 3.41Å |
| 403 | N | 77.4 | Confident | 84.7 | Confident | 156 Ų | 156 | 66.7 Ų | 66.7 | 83% | 0.834 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -120.1 | 103.9 | 177.5 | -78.2 | -86.4 | 0 | 0 | 0 | 110 | L401 | L401-N403 PolarHBondContact O-ND2 3.35Å; L401-N403 VanDerWaalsContact O-ND2 3.09Å |
| 404 | P | 77.5 | Confident | 84.6 | Confident | 92 Ų | 92 | 70.1 Ų | 70.1 | 60% | 0.597 | 37% | 0.368 | S | S | * | . | S | Bend | cis | -77 | 157.7 | -7.9 | 34.1 | -36 | 0 | 0 | 0 | 112.7 | D402 K406 | D402-P404 CarbonylContact O-C 3.29Å; P404-K406 PolarHBondContact O-N 3.38Å; P404-K406 VanDerWaalsContact O-N 3.17Å |
| 405 | P | 77 | Confident | 84.6 | Confident | 84 Ų | 84 | 70 Ų | 70 | 55% | 0.545 | 37% | 0.368 | S | S | . | . | trans | -69.3 | 112.7 | 174.6 | 28.1 | -33.5 | 0 | 0 | 0 | 109.9 | D402 | D402-P405 VanDerWaalsContact O-CD 3.31Å; D402-P405 WeakPolarHBondContact O-CD 3.41Å | ||
| 406 | K | 80.6 | Confident | 84.7 | Confident | 146 Ų | 146 | 66.7 Ų | 66.7 | 64% | 0.635 | 35% | 0.351 | S | S | * | . | trans | -88.1 | -21.2 | -178.8 | -66.8 | 178.9 | -177.3 | 172.7 | 0 | 113.6 | P404 | P404-K406 PolarHBondContact O-N 3.38Å; P404-K406 VanDerWaalsContact O-N 3.17Å | ||
| 407 | F | 81 | Confident | 84.7 | Confident | 58 Ų | 58 | 63.8 Ų | 63.8 | 25% | 0.254 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -136.4 | 158.3 | -165.4 | -52.9 | -44 | 0 | 0 | 0 | 111.4 | R369 E370 | R369-F407 HydrophobicContact CG-CD2 4.43Å; E370-F407 VanDerWaalsContact OE2-CZ 3.3Å; E370-F407 WeakPolarHBondContact OE2-CZ 3.45Å |
| 408 | E | 84.1 | Confident | 84.7 | Confident | 167 Ų | 167 | 63.5 Ų | 63.5 | 78% | 0.78 | 35% | 0.348 | S | S | * | . | trans | -62.8 | 146.9 | 174.5 | -66.6 | 167.5 | -173.5 | 0 | 0 | 111.5 | L410 | E408-L410 PolarHBondContact O-N 3.3Š| ||
| 409 | V | 82.6 | Confident | 84.8 | Confident | 81 Ų | 81 | 61.5 Ų | 61.5 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | trans | -79.4 | 106.1 | 177.5 | -175 | 0 | 0 | 0 | 0 | 109.1 | P398 A399 C400 | P398-V409 HydrophobicContact CB-CG1 4.15Å; A399-V409 HydrophobicContact CB-CG2 4.42Å; C400-V409 HydrophobicContact CB-CG2 3.86Å | ||
| 410 | L | 87.9 | Confident | 85 | Confident | 41 Ų | 41 | 61.7 Ų | 61.7 | 22% | 0.215 | 34% | 0.335 | C | S | . | . | trans | -100.5 | 144.5 | 175 | -63.1 | 170.7 | 0 | 0 | 0 | 110.2 | W390 E394 E408 D414 I415 | W390-L410 HydrophobicContact CH2-CD1 4.02Å; W390-L410 HydrophobicContact CZ2-CD1 3.73Å; E394-L410 WeakPolarHBondContact CB-O 3.49Å; E408-L410 PolarHBondContact O-N 3.3Å; L410-D414 HydrophobicContact CD2-CB 4.32Å; L410-I415 HydrophobicContact CB-CD1 4.14Å; L410-I415 HydrophobicContact CB-CG1 4.21Å; L410-I415 HydrophobicContact CD1-CG1 4.38Å | ||
| 411 | T | 88 | Confident | 85.2 | Confident | 57 Ų | 57 | 64.4 Ų | 64.4 | 35% | 0.35 | 34% | 0.338 | S | S | . | . | trans | -101.5 | 166.9 | 168.1 | 71.5 | 0 | 0 | 0 | 0 | 111.3 | L413 D414 I415 | T411-L413 PolarHBondContact O-N 3.48Å; T411-L413 WeakPolarHBondContact OG1-CB 3.47Å; T411-L413 PolarHBondContact OG1-N 2.97Å; T411-D414 VanDerWaalsContact CB-OD2 3.31Å; T411-D414 WeakPolarHBondContact CB-OD2 3.19Å; T411-D414 WeakPolarHBondContact CG2-OD2 3.26Å; T411-D414 PolarHBondContact N-OD2 3.47Å; T411-D414 PolarHBondContact O-N 3.01Å; T411-D414 VanDerWaalsContact O-N 3.16Å; T411-D414 VanDerWaalsContact OG1-CG 3.31Å; T411-D414 PolarHBondContact OG1-N 3.18Å; T411-D414 PolarHBondContact OG1-OD2 3.03Å; T411-I415 PolarHBondContact O-N 3.37Å | ||
| 412 | C | 90.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.1 | -30.4 | 168.9 | -174.5 | 0 | 0 | 0 | 0 | 112.7 | G391 D395 L416 R439 | G391-C412 WeakPolarHBondContact O-CB 3.44Å; D395-C412 WeakPolarHBondContact OD1-CB 3.46Å; D395-C412 PolarHBondContact OD1-N 2.67Å; D395-C412 WeakPolarHBondContact OD2-CB 3.41Å; C412-L416 WeakPolarHBondContact O-CB 3.4Å; C412-L416 WeakPolarHBondContact O-CD1 3.36Å; C412-L416 VanDerWaalsContact O-CG 3.23Å; C412-L416 WeakPolarHBondContact O-CG 3.27Å; C412-L416 PolarHBondContact O-N 3.44Å; C412-L416 VanDerWaalsContact O-N 3.1Å; C412-L416 WeakPolarHBondContact SG-CD1 3.46Å; C412-R439 PolarHBondContact SG-NH2 2.78Å |
| 413 | L | 90 | Very high | 85.3 | Confident | 18 Ų | 18 | 62.4 Ų | 62.4 | 9% | 0.094 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -67.7 | -43 | 177 | 177.2 | 59.4 | 0 | 0 | 0 | 111.7 | T411 L416 T417 R433 A436 L437 A440 K442 | T411-L413 PolarHBondContact O-N 3.48Å; T411-L413 WeakPolarHBondContact OG1-CB 3.47Å; T411-L413 PolarHBondContact OG1-N 2.97Å; L413-L416 PolarHBondContact O-N 3.47Å; L413-T417 VanDerWaalsContact O-CB 3.24Å; L413-T417 WeakPolarHBondContact O-CB 3.43Å; L413-T417 PolarHBondContact O-N 3.15Å; L413-T417 PolarHBondContact O-OG1 2.9Å; L413-R433 HydrophobicContact CD1-CG 3.81Å; L413-A436 HydrophobicContact CB-CB 4.05Å; L413-A436 HydrophobicContact CD1-CB 4.12Å; L413-L437 HydrophobicContact CD1-CD2 3.55Å; L413-L437 HydrophobicContact CD1-CG 3.79Å; L413-L437 HydrophobicContact CD2-CD2 3.9Å; L413-L437 HydrophobicContact CG-CD2 4.39Å; L413-A440 HydrophobicContact CD2-CB 4.3Å; L413-K442 HydrophobicContact CD2-CG 4.36Å |
| 414 | D | 91.7 | Very high | 85.3 | Confident | 71 Ų | 71 | 55.8 Ų | 55.8 | 38% | 0.38 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | -178.7 | -52.1 | -56.3 | 0 | 0 | 0 | 110.8 | L410 T411 L416 T417 D418 | L410-D414 HydrophobicContact CD2-CB 4.32Å; T411-D414 VanDerWaalsContact CB-OD2 3.31Å; T411-D414 WeakPolarHBondContact CB-OD2 3.19Å; T411-D414 WeakPolarHBondContact CG2-OD2 3.26Å; T411-D414 PolarHBondContact N-OD2 3.47Å; T411-D414 PolarHBondContact O-N 3.01Å; T411-D414 VanDerWaalsContact O-N 3.16Å; T411-D414 VanDerWaalsContact OG1-CG 3.31Å; T411-D414 PolarHBondContact OG1-N 3.18Å; T411-D414 PolarHBondContact OG1-OD2 3.03Å; D414-L416 VanDerWaalsContact C-N 3.34Å; D414-L416 PolarHBondContact O-N 2.77Å; D414-T417 PolarHBondContact O-N 3.22Å; D414-D418 PolarHBondContact O-N 3.15Å |
| 415 | I | 92 | Very high | 85.2 | Confident | 5 Ų | 5 | 51.6 Ų | 51.6 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -43 | 177.9 | -69 | 163.7 | 0 | 0 | 0 | 111.4 | H387 W390 E394 L410 T411 L419 | H387-I415 HydrophobicContact CB-CG2 4.35Å; W390-I415 HydrophobicContact CD2-CD1 3.73Å; W390-I415 HydrophobicContact CD2-CG1 4.34Å; W390-I415 HydrophobicContact CD2-CG2 4.27Å; W390-I415 HydrophobicContact CE3-CD1 4.07Å; W390-I415 HydrophobicContact CE3-CG1 4.18Å; W390-I415 HydrophobicContact CE3-CG2 3.59Å; W390-I415 HydrophobicContact CG-CD1 4.21Å; W390-I415 HydrophobicContact CH2-CD1 4.03Å; W390-I415 HydrophobicContact CH2-CG1 3.78Å; W390-I415 HydrophobicContact CH2-CG2 4.45Å; W390-I415 HydrophobicContact CZ2-CD1 3.72Å; W390-I415 HydrophobicContact CZ2-CG1 3.98Å; W390-I415 HydrophobicContact CZ3-CB 4.42Å; W390-I415 HydrophobicContact CZ3-CD1 4.21Å; W390-I415 HydrophobicContact CZ3-CG1 3.91Å; W390-I415 HydrophobicContact CZ3-CG2 3.71Å; E394-I415 HydrophobicContact CG-CD1 3.9Å; L410-I415 HydrophobicContact CB-CD1 4.14Å; L410-I415 HydrophobicContact CB-CG1 4.21Å; L410-I415 HydrophobicContact CD1-CG1 4.38Å; T411-I415 PolarHBondContact O-N 3.37Å; I415-L419 WeakPolarHBondContact O-CB 3.48Å; I415-L419 PolarHBondContact O-N 3.04Å |
| 416 | L | 91.4 | Very high | 85.4 | Confident | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -76.3 | -27.1 | 177.9 | -69.2 | 170.9 | 0 | 0 | 0 | 113 | C412 L413 D414 L419 E420 R432 R433 A436 | C412-L416 WeakPolarHBondContact O-CB 3.4Å; C412-L416 WeakPolarHBondContact O-CD1 3.36Å; C412-L416 VanDerWaalsContact O-CG 3.23Å; C412-L416 WeakPolarHBondContact O-CG 3.27Å; C412-L416 PolarHBondContact O-N 3.44Å; C412-L416 VanDerWaalsContact O-N 3.1Å; C412-L416 WeakPolarHBondContact SG-CD1 3.46Å; L413-L416 PolarHBondContact O-N 3.47Å; D414-L416 VanDerWaalsContact C-N 3.34Å; D414-L416 PolarHBondContact O-N 2.77Å; L416-L419 HydrophobicContact CD2-CD2 4.17Å; L416-E420 PolarHBondContact O-N 2.93Å; L416-R432 HydrophobicContact CD1-CB 3.87Å; L416-R432 HydrophobicContact CD2-CB 4.07Å; L416-R433 HydrophobicContact CB-CB 4.31Å; L416-R433 HydrophobicContact CB-CG 4.48Å; L416-A436 HydrophobicContact CD1-CB 4.03Å |
| 417 | T | 90.6 | Very high | 85.6 | Confident | 42 Ų | 42 | 40.8 Ų | 40.8 | 26% | 0.258 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -72.6 | -40.9 | 175.2 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | L413 D414 E420 K421 R433 | L413-T417 VanDerWaalsContact O-CB 3.24Å; L413-T417 WeakPolarHBondContact O-CB 3.43Å; L413-T417 PolarHBondContact O-N 3.15Å; L413-T417 PolarHBondContact O-OG1 2.9Å; D414-T417 PolarHBondContact O-N 3.22Å; T417-E420 PolarHBondContact O-N 3.11Å; T417-K421 PolarHBondContact O-N 3.45Å; T417-R433 WeakPolarHBondContact OG1-CD 3.42Å |
| 418 | D | 89.4 | Confident | 85.8 | Confident | 70 Ų | 70 | 38.5 Ų | 38.5 | 37% | 0.374 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.8 | -38.8 | 171.4 | -175.9 | 74.5 | 0 | 0 | 0 | 112.3 | D414 E420 K421 R422 | D414-D418 PolarHBondContact O-N 3.15Å; D418-E420 VanDerWaalsContact C-N 3.31Å; D418-E420 PolarHBondContact O-N 3.05Å; D418-K421 WeakPolarHBondContact O-CB 3.28Å; D418-K421 PolarHBondContact O-N 3.27Å; D418-R422 PolarHBondContact O-N 3.11Å; D418-R422 IonicContact OD2-CZ 2.88Å; D418-R422 IonicContact OD2-NE 2.68Å; D418-R422 PolarHBondContact OD2-NE 3.19Å; D418-R422 IonicContact OD2-NH2 2.77Å; D418-R422 PolarHBondContact OD2-NH2 2.95Å |
| 419 | L | 87.9 | Confident | 86 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.2 | -37.6 | 173.4 | -175.4 | 67 | 0 | 0 | 0 | 112.4 | P384 H387 I415 L416 K421 R422 L423 V429 | P384-L419 HydrophobicContact CB-CD2 4.01Å; H387-L419 HydrophobicContact CB-CD2 3.78Å; I415-L419 WeakPolarHBondContact O-CB 3.48Å; I415-L419 PolarHBondContact O-N 3.04Å; L416-L419 HydrophobicContact CD2-CD2 4.17Å; L419-K421 VanDerWaalsContact C-N 3.33Å; L419-K421 PolarHBondContact O-N 3.02Å; L419-R422 CarbonylContact O-C 3.59Å; L419-R422 WeakPolarHBondContact O-CA 3.25Å; L419-R422 WeakPolarHBondContact O-CB 3.46Å; L419-R422 PolarHBondContact O-N 2.95Å; L419-R422 VanDerWaalsContact O-N 3.08Å; L419-L423 HydrophobicContact CD1-CD1 3.82Å; L419-L423 HydrophobicContact CD1-CG 4.44Å; L419-L423 HydrophobicContact CG-CD1 4.23Å; L419-L423 PolarHBondContact O-N 3.2Å; L419-V429 HydrophobicContact CB-CG1 4.3Å; L419-V429 HydrophobicContact CD2-CG1 4.05Å; L419-V429 HydrophobicContact CD2-CG2 3.69Å; L419-V429 HydrophobicContact CG-CG1 4.05Å; L419-V429 HydrophobicContact CG-CG2 4.01Å |
| 420 | E | 86.4 | Confident | 86.2 | Confident | 5 Ų | 5 | 26.9 Ų | 26.9 | 2% | 0.023 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.8 | -31 | 176.7 | -163 | -178.1 | 103.8 | 0 | 0 | 112.5 | L416 T417 D418 R422 L423 T424 V429 R433 R457 | L416-E420 PolarHBondContact O-N 2.93Å; T417-E420 PolarHBondContact O-N 3.11Å; D418-E420 VanDerWaalsContact C-N 3.31Å; D418-E420 PolarHBondContact O-N 3.05Å; E420-R422 PolarHBondContact O-N 3.24Å; E420-L423 CarbonylContact O-C 3.52Å; E420-L423 VanDerWaalsContact O-C 3.27Å; E420-L423 PolarHBondContact O-N 3.43Å; E420-T424 WeakPolarHBondContact O-CA 3.42Å; E420-T424 WeakPolarHBondContact O-CG2 3.49Å; E420-T424 PolarHBondContact O-N 3.39Å; E420-V429 HydrophobicContact CB-CG1 3.84Å; E420-V429 HydrophobicContact CG-CG1 4.31Å; E420-R433 IonicContact OE1-CZ 3.58Å; E420-R433 IonicContact OE1-NH1 2.72Å; E420-R433 PolarHBondContact OE1-NH1 2.91Å; E420-R433 IonicContact OE1-NH2 2.77Å; E420-R433 PolarHBondContact OE1-NH2 3.45Å; E420-R433 IonicContact OE2-CZ 3.64Å; E420-R433 IonicContact OE2-NE 3.52Å; E420-R433 PolarHBondContact OE2-NE 2.76Å; E420-R433 IonicContact OE2-NH1 3.1Å; E420-R433 PolarHBondContact OE2-NH1 2.73Å; E420-R433 IonicContact OE2-NH2 3.64Å; E420-R433 PolarHBondContact OE2-NH2 2.93Å; E420-R457 IonicContact OE1-CZ 2.76Å; E420-R457 IonicContact OE1-NH1 2.71Å; E420-R457 PolarHBondContact OE1-NH1 3.04Å |
| 421 | K | 83.7 | Confident | 86.2 | Confident | 141 Ų | 141 | 25 Ų | 25 | 61% | 0.613 | 13% | 0.126 | S | C | * | . | H | α-helix | trans | -62.7 | -28.7 | 170.7 | -62.3 | 171.8 | -171.6 | 172.7 | 0 | 112 | T417 D418 L419 | T417-K421 PolarHBondContact O-N 3.45Å; D418-K421 WeakPolarHBondContact O-CB 3.28Å; D418-K421 PolarHBondContact O-N 3.27Å; L419-K421 VanDerWaalsContact C-N 3.33Å; L419-K421 PolarHBondContact O-N 3.02Å |
| 422 | R | 81.5 | Confident | 86.2 | Confident | 72 Ų | 72 | 23.4 Ų | 23.4 | 27% | 0.272 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -89 | -22.3 | 176.7 | -67 | -179 | -90.5 | 144.4 | -9.8 | 113.7 | P381 Y382 H387 D418 L419 E420 | P381-R422 PolarHBondContact O-NH1 3.09Å; Y382-R422 HydrophobicContact CE1-CB 4.3Å; H387-R422 PolarHBondContact CE1-NH1 2.95Å; H387-R422 PolarHBondContact NE2-NH1 3.03Å; H387-R422 PolarHBondContact NE2-NH2 2.95Å; D418-R422 PolarHBondContact O-N 3.11Å; D418-R422 IonicContact OD2-CZ 2.88Å; D418-R422 IonicContact OD2-NE 2.68Å; D418-R422 PolarHBondContact OD2-NE 3.19Å; D418-R422 IonicContact OD2-NH2 2.77Å; D418-R422 PolarHBondContact OD2-NH2 2.95Å; L419-R422 CarbonylContact O-C 3.59Å; L419-R422 WeakPolarHBondContact O-CA 3.25Å; L419-R422 WeakPolarHBondContact O-CB 3.46Å; L419-R422 PolarHBondContact O-N 2.95Å; L419-R422 VanDerWaalsContact O-N 3.08Å; E420-R422 PolarHBondContact O-N 3.24Å |
| 423 | L | 79.8 | Confident | 86.2 | Confident | 3 Ų | 3 | 25 Ų | 25 | 2% | 0.016 | 12% | 0.12 | C | C | . | . | trans | -140.9 | 62.3 | -174.3 | -67.2 | 176.6 | 0 | 0 | 0 | 110.8 | Y382 L419 E420 D425 S426 V429 T924 | Y382-L423 HydrophobicContact CD1-CD2 4.02Å; Y382-L423 HydrophobicContact CD1-CG 4.42Å; L419-L423 HydrophobicContact CD1-CD1 3.82Å; L419-L423 HydrophobicContact CD1-CG 4.44Å; L419-L423 HydrophobicContact CG-CD1 4.23Å; L419-L423 PolarHBondContact O-N 3.2Å; E420-L423 CarbonylContact O-C 3.52Å; E420-L423 VanDerWaalsContact O-C 3.27Å; E420-L423 PolarHBondContact O-N 3.43Å; L423-D425 PolarHBondContact O-N 3.46Å; L423-D425 VanDerWaalsContact O-N 3.09Å; L423-S426 PolarHBondContact O-N 2.86Å; L423-V429 HydrophobicContact CB-CG2 4.3Å; L423-V429 HydrophobicContact CD1-CG2 4.15Å; L423-T924 HydrophobicContact CD2-CG2 4.31Å | ||
| 424 | T | 77.4 | Confident | 86.2 | Confident | 17 Ų | 17 | 24.2 Ų | 24.2 | 10% | 0.104 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.3 | -28.8 | -176.4 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | E420 | E420-T424 WeakPolarHBondContact O-CA 3.42Å; E420-T424 WeakPolarHBondContact O-CG2 3.49Å; E420-T424 PolarHBondContact O-N 3.39Å |
| 425 | D | 75.5 | Confident | 86.1 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.6 | 11.2 | -168.6 | -56.7 | 1.1 | 0 | 0 | 0 | 112 | L423 L458 L461 R733 V922 | L423-D425 PolarHBondContact O-N 3.46Å; L423-D425 VanDerWaalsContact O-N 3.09Å; D425-L458 WeakPolarHBondContact O-CD2 3.44Å; D425-L461 HydrophobicContact CB-CD2 3.93Å; D425-R733 IonicContact OD2-CZ 3.2Å; D425-R733 IonicContact OD2-NH1 3.43Å; D425-R733 PolarHBondContact OD2-NH1 2.76Å; D425-V922 HydrophobicContact CB-CG1 4.45Å; D425-V922 WeakPolarHBondContact O-CG1 3.26Å |
| 426 | S | 81.9 | Confident | 86 | Confident | 3 Ų | 3 | 22.4 Ų | 22.4 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | trans | -93.5 | 107.7 | -179.9 | -169.2 | 0 | 0 | 0 | 0 | 111.7 | L423 L428 V429 C430 | L423-S426 PolarHBondContact O-N 2.86Å; S426-L428 PolarHBondContact O-N 2.86Å; S426-L428 VanDerWaalsContact O-N 3.16Å; S426-V429 PolarHBondContact O-N 3.38Å; S426-C430 PolarHBondContact O-N 3.48Å; S426-C430 VanDerWaalsContact O-N 3.16Å | ||
| 427 | A | 84.8 | Confident | 85.9 | Confident | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.008 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -56.7 | -32.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | C431 L458 A919 | A427-C431 VanDerWaalsContact O-CB 3.23Å; A427-C431 WeakPolarHBondContact O-CB 3.39Å; A427-C431 PolarHBondContact O-N 3.31Å; A427-C431 PolarHBondContact O-SG 2.96Å; A427-L458 HydrophobicContact CB-CD1 3.86Å; A427-A919 HydrophobicContact CB-CB 4.1Å |
| 428 | L | 85.3 | Confident | 85.8 | Confident | 9 Ų | 9 | 28 Ų | 28 | 5% | 0.047 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -70.6 | -37.1 | 177.2 | 178.2 | 57.3 | 0 | 0 | 0 | 112.6 | P384 S426 C431 R432 L916 A920 | P384-L428 HydrophobicContact CG-CD2 4.03Å; S426-L428 PolarHBondContact O-N 2.86Å; S426-L428 VanDerWaalsContact O-N 3.16Å; L428-C431 WeakPolarHBondContact O-CB 3.44Å; L428-R432 HydrophobicContact CD1-CG 4.18Å; L428-R432 WeakPolarHBondContact O-CB 3.47Å; L428-R432 WeakPolarHBondContact O-CG 3.47Å; L428-R432 PolarHBondContact O-N 3.22Å; L428-L916 HydrophobicContact CD1-CB 4.32Å; L428-L916 HydrophobicContact CD1-CD2 3.74Å; L428-A920 HydrophobicContact CB-CB 3.93Å; L428-A920 HydrophobicContact CD2-CB 3.57Å; L428-A920 HydrophobicContact CG-CB 4.39Å |
| 429 | V | 86.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -68 | -49.7 | 176.8 | 179.3 | 0 | 0 | 0 | 0 | 110.1 | P384 L419 E420 L423 S426 C431 R432 R433 | P384-V429 HydrophobicContact CB-CG2 3.72Å; L419-V429 HydrophobicContact CB-CG1 4.3Å; L419-V429 HydrophobicContact CD2-CG1 4.05Å; L419-V429 HydrophobicContact CD2-CG2 3.69Å; L419-V429 HydrophobicContact CG-CG1 4.05Å; L419-V429 HydrophobicContact CG-CG2 4.01Å; E420-V429 HydrophobicContact CB-CG1 3.84Å; E420-V429 HydrophobicContact CG-CG1 4.31Å; L423-V429 HydrophobicContact CB-CG2 4.3Å; L423-V429 HydrophobicContact CD1-CG2 4.15Å; S426-V429 PolarHBondContact O-N 3.38Å; V429-C431 VanDerWaalsContact C-N 3.32Å; V429-C431 PolarHBondContact O-N 3.44Å; V429-R432 PolarHBondContact O-N 3.19Å; V429-R432 VanDerWaalsContact O-N 3.11Å; V429-R433 PolarHBondContact O-N 2.81Å |
| 430 | C | 88.4 | Confident | 85.7 | Confident | 5 Ų | 5 | 33.5 Ų | 33.5 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.1 | -43.8 | 174.9 | 178.9 | 0 | 0 | 0 | 0 | 111.9 | S426 R432 R433 A434 C450 L498 | S426-C430 PolarHBondContact O-N 3.48Å; S426-C430 VanDerWaalsContact O-N 3.16Å; C430-R432 PolarHBondContact O-N 2.56Å; C430-R433 PolarHBondContact O-N 3.1Å; C430-A434 WeakPolarHBondContact O-CB 3.32Å; C430-A434 PolarHBondContact O-N 2.73Å; C430-C450 PolarHBondContact SG-O 3.49Å; C430-L498 HydrophobicContact CB-CD1 4.3Å; C430-L498 HydrophobicContact CB-CD2 4.1Å |
| 431 | C | 87.7 | Confident | 85.7 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.007 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -55.5 | -48 | 172.9 | -86.1 | 0 | 0 | 0 | 0 | 113 | A427 L428 V429 D435 L498 R501 L916 | A427-C431 VanDerWaalsContact O-CB 3.23Å; A427-C431 WeakPolarHBondContact O-CB 3.39Å; A427-C431 PolarHBondContact O-N 3.31Å; A427-C431 PolarHBondContact O-SG 2.96Å; L428-C431 WeakPolarHBondContact O-CB 3.44Å; V429-C431 VanDerWaalsContact C-N 3.32Å; V429-C431 PolarHBondContact O-N 3.44Å; C431-D435 PolarHBondContact O-N 3.27Å; C431-L498 VanDerWaalsContact SG-CD2 3.53Å; C431-R501 VanDerWaalsContact CB-NH1 3.34Å; C431-R501 PolarHBondContact SG-NH1 3.1Å; C431-L916 HydrophobicContact CB-CD2 4.2Å |
| 432 | R | 88.4 | Confident | 85.9 | Confident | 23 Ų | 23 | 34.4 Ų | 34.4 | 9% | 0.087 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -71.4 | -36.6 | -178.7 | -76.6 | 173 | 162 | 153.3 | 3.4 | 111.8 | P384 T385 L416 L428 V429 C430 D435 A436 | P384-R432 PolarHBondContact O-NH1 3.3Å; T385-R432 VanDerWaalsContact CA-NH1 3.3Å; T385-R432 PolarHBondContact OG1-NH1 2.9Å; T385-R432 VanDerWaalsContact OG1-NH1 3.12Å; T385-R432 PolarHBondContact OG1-NH2 2.7Å; L416-R432 HydrophobicContact CD1-CB 3.87Å; L416-R432 HydrophobicContact CD2-CB 4.07Å; L428-R432 HydrophobicContact CD1-CG 4.18Å; L428-R432 WeakPolarHBondContact O-CB 3.47Å; L428-R432 WeakPolarHBondContact O-CG 3.47Å; L428-R432 PolarHBondContact O-N 3.22Å; V429-R432 PolarHBondContact O-N 3.19Å; V429-R432 VanDerWaalsContact O-N 3.11Å; C430-R432 PolarHBondContact O-N 2.56Å; R432-D435 WeakPolarHBondContact O-CB 3.37Å; R432-D435 PolarHBondContact O-N 3.16Å; R432-A436 PolarHBondContact O-N 3.05Å |
| 433 | R | 90.4 | Very high | 86 | Confident | 33 Ų | 33 | 34.7 Ų | 34.7 | 13% | 0.125 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.5 | -41.9 | 174.6 | -165.1 | -176.2 | 68.3 | -163.4 | -15.7 | 111.3 | L413 L416 T417 E420 V429 C430 D435 A436 L437 C450 | L413-R433 HydrophobicContact CD1-CG 3.81Å; L416-R433 HydrophobicContact CB-CB 4.31Å; L416-R433 HydrophobicContact CB-CG 4.48Å; T417-R433 WeakPolarHBondContact OG1-CD 3.42Å; E420-R433 IonicContact OE1-CZ 3.58Å; E420-R433 IonicContact OE1-NH1 2.72Å; E420-R433 PolarHBondContact OE1-NH1 2.91Å; E420-R433 IonicContact OE1-NH2 2.77Å; E420-R433 PolarHBondContact OE1-NH2 3.45Å; E420-R433 IonicContact OE2-CZ 3.64Å; E420-R433 IonicContact OE2-NE 3.52Å; E420-R433 PolarHBondContact OE2-NE 2.76Å; E420-R433 IonicContact OE2-NH1 3.1Å; E420-R433 PolarHBondContact OE2-NH1 2.73Å; E420-R433 IonicContact OE2-NH2 3.64Å; E420-R433 PolarHBondContact OE2-NH2 2.93Å; V429-R433 PolarHBondContact O-N 2.81Å; C430-R433 PolarHBondContact O-N 3.1Å; R433-D435 PolarHBondContact O-N 3.09Å; R433-A436 PolarHBondContact O-N 3.01Å; R433-L437 HydrophobicContact CG-CG 4.47Å; R433-L437 WeakPolarHBondContact O-CG 3.43Å; R433-L437 PolarHBondContact O-N 2.96Å; R433-C450 PolarHBondContact NE-SG 3.31Å; R433-C450 PolarHBondContact NH2-SG 3.25Å |
| 434 | A | 89.3 | Confident | 86.2 | Confident | 2 Ų | 2 | 36.6 Ų | 36.6 | 2% | 0.017 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.8 | -33.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | C430 R438 I447 L451 | C430-A434 WeakPolarHBondContact O-CB 3.32Å; C430-A434 PolarHBondContact O-N 2.73Å; A434-R438 WeakPolarHBondContact O-CB 3.45Å; A434-R438 PolarHBondContact O-N 3.26Å; A434-I447 HydrophobicContact CB-CG2 4.09Å; A434-L451 HydrophobicContact CB-CD1 4.44Å; A434-L451 HydrophobicContact CB-CD2 3.67Å; A434-L451 HydrophobicContact CB-CG 3.97Å |
| 435 | D | 89 | Confident | 86.5 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 19% | 0.187 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -72.5 | -35.7 | 171.7 | -69.1 | -24.9 | 0 | 0 | 0 | 113.3 | C431 R432 R433 R438 R439 R501 | C431-D435 PolarHBondContact O-N 3.27Å; R432-D435 WeakPolarHBondContact O-CB 3.37Å; R432-D435 PolarHBondContact O-N 3.16Å; R433-D435 PolarHBondContact O-N 3.09Å; D435-R438 PolarHBondContact O-N 3.08Å; D435-R438 IonicContact OD1-CZ 2.77Å; D435-R438 IonicContact OD1-NE 3.12Å; D435-R438 IonicContact OD1-NH2 2.73Å; D435-R438 PolarHBondContact OD1-NH2 2.87Å; D435-R439 WeakPolarHBondContact O-CG 3.25Å; D435-R439 PolarHBondContact O-N 3.31Å; D435-R439 PolarHBondContact O-NH1 2.75Å; D435-R501 IonicContact OD1-CZ 3.94Å; D435-R501 IonicContact OD1-NE 2.79Å; D435-R501 IonicContact OD1-NH2 3.27Å; D435-R501 PolarHBondContact OD1-NH2 2.97Å; D435-R501 IonicContact OD2-CZ 3.74Å; D435-R501 IonicContact OD2-NH2 3.21Å; D435-R501 PolarHBondContact OD2-NH2 2.73Å |
| 436 | A | 89.5 | Confident | 86.9 | Confident | 3 Ų | 3 | 41.1 Ų | 41.1 | 3% | 0.025 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.7 | -44 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L413 L416 R432 R433 R438 R439 A440 | L413-A436 HydrophobicContact CB-CB 4.05Å; L413-A436 HydrophobicContact CD1-CB 4.12Å; L416-A436 HydrophobicContact CD1-CB 4.03Å; R432-A436 PolarHBondContact O-N 3.05Å; R433-A436 PolarHBondContact O-N 3.01Å; A436-R438 VanDerWaalsContact C-N 3.28Å; A436-R438 PolarHBondContact O-N 2.97Å; A436-R439 PolarHBondContact O-N 2.92Å; A436-A440 VanDerWaalsContact O-CB 3.27Å; A436-A440 WeakPolarHBondContact O-CB 3.16Å; A436-A440 PolarHBondContact O-N 2.72Å |
| 437 | L | 89.4 | Confident | 87.1 | Confident | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -53.8 | -46.5 | 171.2 | -69.6 | 170.7 | 0 | 0 | 0 | 111 | L413 R433 A440 G441 K442 I447 C450 | L413-L437 HydrophobicContact CD1-CD2 3.55Å; L413-L437 HydrophobicContact CD1-CG 3.79Å; L413-L437 HydrophobicContact CD2-CD2 3.9Å; L413-L437 HydrophobicContact CG-CD2 4.39Å; R433-L437 HydrophobicContact CG-CG 4.47Å; R433-L437 WeakPolarHBondContact O-CG 3.43Å; R433-L437 PolarHBondContact O-N 2.96Å; L437-A440 PolarHBondContact O-N 2.93Å; L437-G441 PolarHBondContact O-N 2.86Å; L437-K442 HydrophobicContact CB-CB 4.21Å; L437-K442 HydrophobicContact CB-CG 4.44Å; L437-K442 HydrophobicContact CD2-CB 4.11Å; L437-K442 HydrophobicContact CD2-CG 3.8Å; L437-K442 WeakPolarHBondContact O-CB 3.16Å; L437-K442 PolarHBondContact O-N 3.37Å; L437-K442 VanDerWaalsContact O-N 3.08Å; L437-I447 HydrophobicContact CB-CG1 3.95Å; L437-C450 HydrophobicContact CD1-CB 3.64Å |
| 438 | R | 88.7 | Confident | 87.2 | Confident | 146 Ų | 146 | 41.4 Ų | 41.4 | 55% | 0.551 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -65.5 | -39 | 178.3 | -174.8 | 164.5 | 55.2 | 103.6 | -0.7 | 113.5 | A434 D435 A436 I447 | A434-R438 WeakPolarHBondContact O-CB 3.45Å; A434-R438 PolarHBondContact O-N 3.26Å; D435-R438 PolarHBondContact O-N 3.08Å; D435-R438 IonicContact OD1-CZ 2.77Å; D435-R438 IonicContact OD1-NE 3.12Å; D435-R438 IonicContact OD1-NH2 2.73Å; D435-R438 PolarHBondContact OD1-NH2 2.87Å; A436-R438 VanDerWaalsContact C-N 3.28Å; A436-R438 PolarHBondContact O-N 2.97Å; R438-I447 HydrophobicContact CB-CD1 3.99Å; R438-I447 HydrophobicContact CG-CD1 4.49Å |
| 439 | R | 87.4 | Confident | 87.1 | Confident | 124 Ų | 124 | 41.5 Ų | 41.5 | 47% | 0.468 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -69.9 | -34.4 | 173.5 | -71.5 | -164.1 | -47.3 | -75.8 | 7.3 | 112.5 | D395 C412 D435 A436 G441 | D395-R439 IonicContact OD2-CZ 2.77Å; D395-R439 IonicContact OD2-NE 3.78Å; D395-R439 IonicContact OD2-NH2 2.83Å; D395-R439 PolarHBondContact OD2-NH2 3.31Å; C412-R439 PolarHBondContact SG-NH2 2.78Å; D435-R439 WeakPolarHBondContact O-CG 3.25Å; D435-R439 PolarHBondContact O-N 3.31Å; D435-R439 PolarHBondContact O-NH1 2.75Å; A436-R439 PolarHBondContact O-N 2.92Å; R439-G441 PolarHBondContact O-N 3.3Å |
| 440 | A | 87.7 | Confident | 87.1 | Confident | 60 Ų | 60 | 41.7 Ų | 41.7 | 50% | 0.496 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | 6.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.2 | L413 A436 L437 K442 | L413-A440 HydrophobicContact CD2-CB 4.3Å; A436-A440 VanDerWaalsContact O-CB 3.27Å; A436-A440 WeakPolarHBondContact O-CB 3.16Å; A436-A440 PolarHBondContact O-N 2.72Å; L437-A440 PolarHBondContact O-N 2.93Å; A440-K442 HydrophobicContact CB-CG 4.3Å; A440-K442 PolarHBondContact O-N 2.92Å |
| 441 | G | 86.3 | Confident | 87.1 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 70% | 0.701 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 65 | 23.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L437 R439 | L437-G441 PolarHBondContact O-N 2.86Å; R439-G441 PolarHBondContact O-N 3.3Å |
| 442 | K | 87.7 | Confident | 87.1 | Confident | 98 Ų | 98 | 42.5 Ų | 42.5 | 43% | 0.426 | 23% | 0.225 | S | C | . | . | trans | -65.6 | 147.5 | 177.1 | -66.8 | -70.1 | -174.2 | 175.5 | 0 | 110.7 | L413 L437 A440 D446 | L413-K442 HydrophobicContact CD2-CG 4.36Å; L437-K442 HydrophobicContact CB-CB 4.21Å; L437-K442 HydrophobicContact CB-CG 4.44Å; L437-K442 HydrophobicContact CD2-CB 4.11Å; L437-K442 HydrophobicContact CD2-CG 3.8Å; L437-K442 WeakPolarHBondContact O-CB 3.16Å; L437-K442 PolarHBondContact O-N 3.37Å; L437-K442 VanDerWaalsContact O-N 3.08Å; A440-K442 HydrophobicContact CB-CG 4.3Å; A440-K442 PolarHBondContact O-N 2.92Å; K442-D446 HydrophobicContact CB-CB 4.46Å | ||
| 443 | P | 85.2 | Confident | 86.9 | Confident | 78 Ų | 78 | 42.3 Ų | 42.3 | 51% | 0.506 | 23% | 0.226 | S | C | . | . | trans | -59.2 | 148.6 | -177.4 | 25.7 | -34.9 | 0 | 0 | 0 | 111.1 | F445 D446 | P443-F445 PolarHBondContact O-N 3.37Å; P443-F445 VanDerWaalsContact O-N 3.08Å; P443-D446 WeakPolarHBondContact CD-OD2 3.27Å; P443-D446 WeakPolarHBondContact O-CB 3.49Å; P443-D446 PolarHBondContact O-N 2.94Å | ||
| 444 | L | 83.3 | Confident | 86.6 | Confident | 43 Ų | 43 | 41 Ų | 41 | 23% | 0.225 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.6 | -34.1 | -173.9 | -169 | 72.2 | 0 | 0 | 0 | 112.8 | D446 I447 I448 L505 L512 | L444-D446 PolarHBondContact O-N 3.3Å; L444-I447 PolarHBondContact O-N 3.43Å; L444-I447 VanDerWaalsContact O-N 3.13Å; L444-I448 HydrophobicContact CD2-CD1 4.14Å; L444-I448 HydrophobicContact CG-CD1 3.9Å; L444-I448 HydrophobicContact CG-CG1 4.36Å; L444-I448 VanDerWaalsContact O-CG1 3.32Å; L444-I448 WeakPolarHBondContact O-CG1 3.35Å; L444-I448 PolarHBondContact O-N 2.84Å; L444-L505 HydrophobicContact CD1-CD1 4.43Å; L444-L505 HydrophobicContact CD1-CD2 3.8Å; L444-L505 HydrophobicContact CD1-CG 4.27Å; L444-L505 HydrophobicContact CG-CD2 4.44Å; L444-L512 HydrophobicContact CD1-CD1 4.29Å; L444-L512 HydrophobicContact CD2-CD1 3.53Å; L444-L512 HydrophobicContact CD2-CD2 3.92Å; L444-L512 HydrophobicContact CD2-CG 3.59Å |
| 445 | F | 83.2 | Confident | 86.5 | Confident | 54 Ų | 54 | 41 Ų | 41 | 24% | 0.237 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -55.3 | -46.1 | 176.3 | -175.9 | -101.7 | 0 | 0 | 0 | 112.7 | P443 I447 I448 A449 W520 M521 L524 A741 | P443-F445 PolarHBondContact O-N 3.37Å; P443-F445 VanDerWaalsContact O-N 3.08Å; F445-I447 PolarHBondContact O-N 3.17Å; F445-I448 PolarHBondContact O-N 2.85Å; F445-A449 WeakPolarHBondContact O-CB 3.36Å; F445-A449 PolarHBondContact O-N 2.74Å; F445-W520 HydrophobicContact CD2-CH2 4.24Å; F445-W520 HydrophobicContact CD2-CZ3 4.28Å; F445-W520 AromaticContact CE2-CH2 3.98Å; F445-W520 HydrophobicContact CE2-CH2 3.98Å; F445-W520 AromaticContact CE2-CZ3 3.6Å; F445-W520 HydrophobicContact CE2-CZ3 3.6Å; F445-W520 HydrophobicContact CZ-CZ3 4.32Å; F445-M521 HydrophobicContact CB-CE 4.11Å; F445-M521 HydrophobicContact CD2-CE 3.84Å; F445-M521 HydrophobicContact CG-CE 4.48Å; F445-L524 HydrophobicContact CE2-CD2 4.06Å; F445-L524 HydrophobicContact CZ-CD2 4.36Å; F445-A741 HydrophobicContact CZ-CB 3.95Å |
| 446 | D | 84.3 | Confident | 86.3 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 33% | 0.332 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59 | -36.6 | 177.9 | -63.1 | 4.3 | 0 | 0 | 0 | 111.6 | K442 P443 L444 C450 | K442-D446 HydrophobicContact CB-CB 4.46Å; P443-D446 WeakPolarHBondContact CD-OD2 3.27Å; P443-D446 WeakPolarHBondContact O-CB 3.49Å; P443-D446 PolarHBondContact O-N 2.94Å; L444-D446 PolarHBondContact O-N 3.3Å; D446-C450 WeakPolarHBondContact O-CB 3.37Å; D446-C450 PolarHBondContact O-N 3.31Å |
| 447 | I | 86.9 | Confident | 86 | Confident | 8 Ų | 8 | 40.2 Ų | 40.2 | 4% | 0.041 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -74.1 | -40.7 | -179.3 | -45.1 | 173.4 | 0 | 0 | 0 | 110.3 | A434 L437 R438 L444 F445 L451 L505 | A434-I447 HydrophobicContact CB-CG2 4.09Å; L437-I447 HydrophobicContact CB-CG1 3.95Å; R438-I447 HydrophobicContact CB-CD1 3.99Å; R438-I447 HydrophobicContact CG-CD1 4.49Å; L444-I447 PolarHBondContact O-N 3.43Å; L444-I447 VanDerWaalsContact O-N 3.13Å; F445-I447 PolarHBondContact O-N 3.17Å; I447-L451 WeakPolarHBondContact O-CG 2.96Å; I447-L451 PolarHBondContact O-N 2.92Å; I447-L451 VanDerWaalsContact O-N 3.1Å; I447-L505 HydrophobicContact CB-CD1 4.11Å; I447-L505 HydrophobicContact CG2-CD1 3.44Å; I447-L505 VanDerWaalsContact CG2-CD1 3.44Å |
| 448 | I | 85.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 39.6 Ų | 39.6 | 1% | 0.01 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63 | -51 | 174.1 | -63.8 | 160.6 | 0 | 0 | 0 | 109.9 | L444 F445 C450 L451 R452 L502 L505 F506 M521 L524 | L444-I448 HydrophobicContact CD2-CD1 4.14Å; L444-I448 HydrophobicContact CG-CD1 3.9Å; L444-I448 HydrophobicContact CG-CG1 4.36Å; L444-I448 VanDerWaalsContact O-CG1 3.32Å; L444-I448 WeakPolarHBondContact O-CG1 3.35Å; L444-I448 PolarHBondContact O-N 2.84Å; F445-I448 PolarHBondContact O-N 2.85Å; I448-C450 PolarHBondContact O-N 3.16Å; I448-L451 PolarHBondContact O-N 2.81Å; I448-R452 WeakPolarHBondContact O-CB 3.43Å; I448-R452 PolarHBondContact O-N 2.9Å; I448-L502 HydrophobicContact CB-CD1 4.37Å; I448-L502 HydrophobicContact CG1-CD1 4.15Å; I448-L502 HydrophobicContact CG2-CD1 4.18Å; I448-L505 HydrophobicContact CG1-CD2 4.33Å; I448-F506 HydrophobicContact CD1-CE1 3.71Å; I448-F506 HydrophobicContact CD1-CZ 4.21Å; I448-F506 HydrophobicContact CG1-CE1 3.79Å; I448-F506 HydrophobicContact CG1-CZ 4.08Å; I448-F506 HydrophobicContact CG2-CZ 4.42Å; I448-M521 HydrophobicContact CD1-CE 3.79Å; I448-L524 HydrophobicContact CG2-CD1 3.77Å |
| 449 | A | 84.3 | Confident | 85.6 | Confident | 11 Ų | 11 | 34.5 Ų | 34.5 | 9% | 0.091 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.4 | -44.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F445 L451 R452 N453 | F445-A449 WeakPolarHBondContact O-CB 3.36Å; F445-A449 PolarHBondContact O-N 2.74Å; A449-L451 PolarHBondContact O-N 3.43Å; A449-R452 PolarHBondContact O-N 2.83Å; A449-N453 VanDerWaalsContact O-CB 3.24Å; A449-N453 WeakPolarHBondContact O-CB 3.43Å; A449-N453 PolarHBondContact O-N 2.89Å; A449-N453 PolarHBondContact O-ND2 2.75Å |
| 450 | C | 87.2 | Confident | 85.4 | Confident | 4 Ų | 4 | 31 Ų | 31 | 3% | 0.027 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -54 | -49.1 | 173.1 | 174.2 | 0 | 0 | 0 | 0 | 112.1 | C430 R433 L437 D446 I448 G454 | C430-C450 PolarHBondContact SG-O 3.49Å; R433-C450 PolarHBondContact NE-SG 3.31Å; R433-C450 PolarHBondContact NH2-SG 3.25Å; L437-C450 HydrophobicContact CD1-CB 3.64Å; D446-C450 WeakPolarHBondContact O-CB 3.37Å; D446-C450 PolarHBondContact O-N 3.31Å; I448-C450 PolarHBondContact O-N 3.16Å; C450-G454 PolarHBondContact O-N 3.12Å |
| 451 | L | 88 | Confident | 85.1 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.4 | -40.2 | -179.6 | -68.4 | 174 | 0 | 0 | 0 | 112.2 | A434 I447 I448 A449 G454 I455 L498 R501 L502 L505 | A434-L451 HydrophobicContact CB-CD1 4.44Å; A434-L451 HydrophobicContact CB-CD2 3.67Å; A434-L451 HydrophobicContact CB-CG 3.97Å; I447-L451 WeakPolarHBondContact O-CG 2.96Å; I447-L451 PolarHBondContact O-N 2.92Å; I447-L451 VanDerWaalsContact O-N 3.1Å; I448-L451 PolarHBondContact O-N 2.81Å; A449-L451 PolarHBondContact O-N 3.43Å; L451-G454 PolarHBondContact O-N 3.03Å; L451-I455 VanDerWaalsContact O-CG1 3.28Å; L451-I455 WeakPolarHBondContact O-CG1 3.35Å; L451-I455 PolarHBondContact O-N 3.28Å; L451-L498 HydrophobicContact CD2-CD2 3.83Å; L451-R501 HydrophobicContact CD1-CG 4.48Å; L451-L502 HydrophobicContact CB-CD1 4.44Å; L451-L502 HydrophobicContact CD1-CB 4.09Å; L451-L502 HydrophobicContact CD1-CD1 4.06Å; L451-L505 HydrophobicContact CD1-CD1 4.28Å |
| 452 | R | 86.8 | Confident | 84.9 | Confident | 22 Ų | 22 | 25.3 Ų | 25.3 | 8% | 0.083 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -69.2 | -40.4 | 179.8 | -163.6 | 73.3 | 159.3 | 167.5 | -11.1 | 112.1 | I448 A449 G454 I455 N456 L522 L524 I739 E767 | I448-R452 WeakPolarHBondContact O-CB 3.43Å; I448-R452 PolarHBondContact O-N 2.9Å; A449-R452 PolarHBondContact O-N 2.83Å; R452-G454 VanDerWaalsContact C-N 3.33Å; R452-G454 PolarHBondContact O-N 3.39Å; R452-I455 PolarHBondContact O-N 3.35Å; R452-N456 WeakPolarHBondContact O-CB 3.47Å; R452-N456 PolarHBondContact O-N 3.07Å; R452-L522 PolarHBondContact NH2-O 3.48Å; R452-L524 HydrophobicContact CB-CD1 4.34Å; R452-L524 HydrophobicContact CG-CB 3.9Å; R452-L524 HydrophobicContact CG-CD1 4.43Å; R452-I739 HydrophobicContact CB-CD1 3.69Å; R452-I739 HydrophobicContact CG-CD1 3.34Å; R452-E767 IonicContact CZ-OE1 2.94Å; R452-E767 IonicContact CZ-OE2 2.69Å; R452-E767 VanDerWaalsContact CZ-OE2 3.25Å; R452-E767 IonicContact NH1-OE1 3.61Å; R452-E767 PolarHBondContact NH1-OE1 3.14Å; R452-E767 IonicContact NH1-OE2 3.59Å; R452-E767 PolarHBondContact NH1-OE2 3.13Å; R452-E767 IonicContact NH2-OE1 3.6Å; R452-E767 IonicContact NH2-OE2 2.92Å; R452-E767 PolarHBondContact NH2-OE2 2.67Å |
| 453 | N | 84 | Confident | 84.8 | Confident | 19 Ų | 19 | 25.9 Ų | 25.9 | 10% | 0.102 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -57 | -46.9 | 169.7 | -74.1 | -14.8 | 0 | 0 | 0 | 110.6 | A449 N456 R457 I737 I739 | A449-N453 VanDerWaalsContact O-CB 3.24Å; A449-N453 WeakPolarHBondContact O-CB 3.43Å; A449-N453 PolarHBondContact O-N 2.89Å; A449-N453 PolarHBondContact O-ND2 2.75Å; N453-N456 PolarHBondContact O-N 3.26Å; N453-R457 WeakPolarHBondContact O-CB 3.3Å; N453-R457 VanDerWaalsContact O-CG 3.29Å; N453-R457 WeakPolarHBondContact O-CG 3.41Å; N453-R457 PolarHBondContact O-N 3.07Å; N453-I737 PolarHBondContact OD1-O 2.88Å; N453-I739 WeakPolarHBondContact OD1-CB 3.35Å; N453-I739 VanDerWaalsContact OD1-CD1 3.25Å; N453-I739 WeakPolarHBondContact OD1-CD1 3.21Å; N453-I739 WeakPolarHBondContact OD1-CG1 3.43Å; N453-I739 PolarHBondContact OD1-N 3.45Å |
| 454 | G | 85.6 | Confident | 84.6 | Confident | 5 Ų | 5 | 23.5 Ų | 23.5 | 5% | 0.052 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C450 L451 R452 N456 L458 L498 | C450-G454 PolarHBondContact O-N 3.12Å; L451-G454 PolarHBondContact O-N 3.03Å; R452-G454 VanDerWaalsContact C-N 3.33Å; R452-G454 PolarHBondContact O-N 3.39Å; G454-N456 PolarHBondContact O-N 2.9Å; G454-L458 VanDerWaalsContact O-CG 3.32Å; G454-L458 WeakPolarHBondContact O-CG 3.45Å; G454-L458 PolarHBondContact O-N 3.35Å; G454-L458 VanDerWaalsContact O-N 3.15Å; G454-L498 VanDerWaalsContact C-CD1 3.41Å |
| 455 | I | 86.1 | Confident | 84.5 | Confident | 2 Ų | 2 | 23 Ų | 23 | 1% | 0.01 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58 | -49.3 | 174.5 | -69.9 | 162 | 0 | 0 | 0 | 110.1 | L451 R452 L458 R459 L498 A499 L502 | L451-I455 VanDerWaalsContact O-CG1 3.28Å; L451-I455 WeakPolarHBondContact O-CG1 3.35Å; L451-I455 PolarHBondContact O-N 3.28Å; R452-I455 PolarHBondContact O-N 3.35Å; I455-L458 PolarHBondContact O-N 3.42Å; I455-R459 HydrophobicContact CG2-CG 4.39Å; I455-R459 WeakPolarHBondContact O-CG 3.35Å; I455-R459 PolarHBondContact O-N 2.77Å; I455-L498 HydrophobicContact CD1-CB 4.2Å; I455-L498 HydrophobicContact CG1-CB 3.51Å; I455-L498 HydrophobicContact CG1-CD1 4.33Å; I455-A499 HydrophobicContact CD1-CB 3.99Å; I455-L502 HydrophobicContact CD1-CD2 4.32Å |
| 456 | N | 84.4 | Confident | 84.5 | Confident | 17 Ų | 17 | 23 Ų | 23 | 9% | 0.091 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -72 | -34.3 | -174.3 | -69.2 | -13.2 | 0 | 0 | 0 | 112.2 | R452 N453 G454 L458 R459 Y460 T526 I737 | R452-N456 WeakPolarHBondContact O-CB 3.47Å; R452-N456 PolarHBondContact O-N 3.07Å; N453-N456 PolarHBondContact O-N 3.26Å; G454-N456 PolarHBondContact O-N 2.9Å; N456-L458 PolarHBondContact O-N 2.77Å; N456-R459 PolarHBondContact O-N 3.16Å; N456-R459 PolarHBondContact OD1-NH1 3.05Å; N456-Y460 PolarHBondContact O-N 3.37Å; N456-T526 HydrophobicContact CB-CG2 4.09Å; N456-T526 WeakPolarHBondContact ND2-CG2 3.18Å; N456-I737 HydrophobicContact CB-CG2 3.41Å; N456-I737 VanDerWaalsContact CB-CG2 3.41Å |
| 457 | R | 83 | Confident | 84.4 | Confident | 4 Ų | 4 | 26.4 Ų | 26.4 | 2% | 0.015 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60.3 | -44.9 | 172 | -74.3 | 172.5 | -171.3 | 167.1 | 3.4 | 111.7 | E420 N453 Y460 L461 I737 | E420-R457 IonicContact OE1-CZ 2.76Å; E420-R457 IonicContact OE1-NH1 2.71Å; E420-R457 PolarHBondContact OE1-NH1 3.04Å; N453-R457 WeakPolarHBondContact O-CB 3.3Å; N453-R457 VanDerWaalsContact O-CG 3.29Å; N453-R457 WeakPolarHBondContact O-CG 3.41Å; N453-R457 PolarHBondContact O-N 3.07Å; R457-Y460 PolarHBondContact O-N 2.87Å; R457-L461 WeakPolarHBondContact O-CB 3.14Å; R457-L461 PolarHBondContact O-N 3.13Å; R457-I737 HydrophobicContact CB-CD1 4.3Å; R457-I737 HydrophobicContact CG-CB 3.83Å; R457-I737 HydrophobicContact CG-CD1 3.9Å; R457-I737 HydrophobicContact CG-CG1 4.4Å; R457-I737 HydrophobicContact CG-CG2 3.79Å |
| 458 | L | 84.4 | Confident | 83.9 | Confident | 3 Ų | 3 | 28.3 Ų | 28.3 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -65.7 | -40.2 | 174.7 | -68.8 | 173.4 | 0 | 0 | 0 | 112.1 | D425 A427 G454 I455 N456 Y460 L461 V462 A491 G494 A495 L498 V922 | D425-L458 WeakPolarHBondContact O-CD2 3.44Å; A427-L458 HydrophobicContact CB-CD1 3.86Å; G454-L458 VanDerWaalsContact O-CG 3.32Å; G454-L458 WeakPolarHBondContact O-CG 3.45Å; G454-L458 PolarHBondContact O-N 3.35Å; G454-L458 VanDerWaalsContact O-N 3.15Å; I455-L458 PolarHBondContact O-N 3.42Å; N456-L458 PolarHBondContact O-N 2.77Å; L458-Y460 PolarHBondContact O-N 3.04Å; L458-L461 PolarHBondContact O-N 3.27Å; L458-V462 VanDerWaalsContact O-CG2 3.3Å; L458-V462 WeakPolarHBondContact O-CG2 3.36Å; L458-V462 PolarHBondContact O-N 2.9Å; L458-A491 HydrophobicContact CD2-CB 4.04Å; L458-G494 VanDerWaalsContact CD1-C 3.47Å; L458-A495 HydrophobicContact CB-CB 3.93Å; L458-A495 HydrophobicContact CD1-CB 4.37Å; L458-L498 HydrophobicContact CD1-CD1 3.76Å; L458-V922 HydrophobicContact CD2-CG1 4.29Å |
| 459 | R | 85.7 | Confident | 83.4 | Confident | 39 Ų | 39 | 29.2 Ų | 29.2 | 15% | 0.147 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 174.7 | -74.4 | 178.2 | 161.5 | 159 | -6.7 | 112.6 | I455 N456 V462 Q463 E767 Y771 | I455-R459 HydrophobicContact CG2-CG 4.39Å; I455-R459 WeakPolarHBondContact O-CG 3.35Å; I455-R459 PolarHBondContact O-N 2.77Å; N456-R459 PolarHBondContact O-N 3.16Å; N456-R459 PolarHBondContact OD1-NH1 3.05Å; R459-V462 WeakPolarHBondContact O-CB 3.45Å; R459-V462 PolarHBondContact O-N 3.26Å; R459-Q463 PolarHBondContact O-N 3.25Å; R459-Q463 VanDerWaalsContact O-N 3.17Å; R459-E767 IonicContact CZ-OE1 2.76Å; R459-E767 IonicContact NH1-OE1 2.71Å; R459-E767 PolarHBondContact NH1-OE1 3.33Å; R459-E767 PolarHBondContact NH2-O 3.34Å; R459-E767 IonicContact NH2-OE1 2.75Å; R459-E767 PolarHBondContact NH2-OE1 3.48Å; R459-Y771 HydrophobicContact CG-CD1 4.34Å; R459-Y771 HydrophobicContact CG-CE1 3.79Å; R459-Y771 HydrophobicContact CG-CE2 3.99Å |
| 460 | Y | 83 | Confident | 83.1 | Confident | 52 Ų | 52 | 35.7 Ų | 35.7 | 20% | 0.204 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.1 | -44.9 | 175.3 | -174.4 | -79.5 | 0 | 0 | 0 | 111.3 | N456 R457 L458 V462 Q463 E464 R733 V736 I737 | N456-Y460 PolarHBondContact O-N 3.37Å; R457-Y460 PolarHBondContact O-N 2.87Å; L458-Y460 PolarHBondContact O-N 3.04Å; Y460-V462 VanDerWaalsContact C-N 3.27Å; Y460-V462 PolarHBondContact O-N 2.84Å; Y460-Q463 WeakPolarHBondContact O-CB 3.49Å; Y460-Q463 PolarHBondContact O-N 2.66Å; Y460-E464 HydrophobicContact CE1-CB 4.4Å; Y460-E464 WeakPolarHBondContact CE1-OE2 3.27Å; Y460-E464 PolarHBondContact O-N 3.47Å; Y460-R733 HydrophobicContact CD1-CG 3.59Å; Y460-R733 HydrophobicContact CE1-CG 3.6Å; Y460-V736 HydrophobicContact CD2-CG1 4.22Å; Y460-V736 HydrophobicContact CE2-CG1 4.13Å; Y460-I737 HydrophobicContact CD2-CD1 4.31Å; Y460-I737 HydrophobicContact CG-CD1 3.94Å |
| 461 | L | 81.4 | Confident | 82.5 | Confident | 5 Ų | 5 | 40.4 Ų | 40.4 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -57.4 | -39.3 | 175.1 | 178.1 | 64.2 | 0 | 0 | 0 | 111.9 | D425 R457 L458 E464 Q465 T487 A491 V922 | D425-L461 HydrophobicContact CB-CD2 3.93Å; R457-L461 WeakPolarHBondContact O-CB 3.14Å; R457-L461 PolarHBondContact O-N 3.13Å; L458-L461 PolarHBondContact O-N 3.27Å; L461-E464 PolarHBondContact O-N 2.96Å; L461-Q465 HydrophobicContact CD1-CG 3.67Å; L461-Q465 HydrophobicContact CG-CG 4.17Å; L461-Q465 WeakPolarHBondContact O-CB 3.41Å; L461-Q465 VanDerWaalsContact O-CG 3.26Å; L461-Q465 WeakPolarHBondContact O-CG 3.47Å; L461-Q465 PolarHBondContact O-N 2.92Å; L461-T487 HydrophobicContact CD2-CG2 4.22Å; L461-A491 HydrophobicContact CB-CB 4.5Å; L461-A491 HydrophobicContact CD2-CB 3.85Å; L461-A491 HydrophobicContact CG-CB 4.2Å; L461-V922 HydrophobicContact CD2-CG1 3.5Å; L461-V922 VanDerWaalsContact CD2-CG1 3.5Å |
| 462 | V | 83.8 | Confident | 81.5 | Confident | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.018 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.4 | -45.2 | 173 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L458 R459 Y460 N466 A488 A491 R492 Y771 | L458-V462 VanDerWaalsContact O-CG2 3.3Å; L458-V462 WeakPolarHBondContact O-CG2 3.36Å; L458-V462 PolarHBondContact O-N 2.9Å; R459-V462 WeakPolarHBondContact O-CB 3.45Å; R459-V462 PolarHBondContact O-N 3.26Å; Y460-V462 VanDerWaalsContact C-N 3.27Å; Y460-V462 PolarHBondContact O-N 2.84Å; V462-N466 VanDerWaalsContact O-CB 3.29Å; V462-N466 WeakPolarHBondContact O-CB 3.43Å; V462-N466 PolarHBondContact O-N 2.9Å; V462-N466 PolarHBondContact O-ND2 3.33Å; V462-N466 VanDerWaalsContact O-ND2 3.08Å; V462-A488 WeakPolarHBondContact CG2-O 3.44Å; V462-A491 HydrophobicContact CG2-CB 3.76Å; V462-R492 HydrophobicContact CG2-CB 3.93Å; V462-Y771 WeakPolarHBondContact CB-OH 3.29Å; V462-Y771 WeakPolarHBondContact CG1-OH 3.47Å |
| 463 | Q | 85.1 | Confident | 80.2 | Confident | 109 Ų | 109 | 47 Ų | 47 | 51% | 0.509 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.8 | -45.4 | 177.6 | -68.3 | 176 | -8.6 | 0 | 0 | 111.7 | R459 Y460 N466 K467 | R459-Q463 PolarHBondContact O-N 3.25Å; R459-Q463 VanDerWaalsContact O-N 3.17Å; Y460-Q463 WeakPolarHBondContact O-CB 3.49Å; Y460-Q463 PolarHBondContact O-N 2.66Å; Q463-N466 PolarHBondContact O-N 3.09Å; Q463-K467 WeakPolarHBondContact O-CG 3.48Å; Q463-K467 PolarHBondContact O-N 3.16Å |
| 464 | E | 81.3 | Confident | 78.9 | Confident | 28 Ų | 28 | 49 Ų | 49 | 13% | 0.131 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.4 | -46.9 | -179.5 | -161 | -165.2 | 118.3 | 0 | 0 | 111.9 | Y460 L461 N466 K467 V468 R733 | Y460-E464 HydrophobicContact CE1-CB 4.4Å; Y460-E464 WeakPolarHBondContact CE1-OE2 3.27Å; Y460-E464 PolarHBondContact O-N 3.47Å; L461-E464 PolarHBondContact O-N 2.96Å; E464-N466 VanDerWaalsContact C-N 3.31Å; E464-N466 PolarHBondContact O-N 2.93Å; E464-K467 WeakPolarHBondContact O-CB 3.39Å; E464-K467 PolarHBondContact O-N 2.83Å; E464-K467 VanDerWaalsContact O-N 3.1Å; E464-V468 WeakPolarHBondContact O-CG2 3.5Å; E464-V468 PolarHBondContact O-N 3.19Å; E464-R733 IonicContact OE1-CZ 3.01Å; E464-R733 IonicContact OE1-NH2 2.67Å; E464-R733 PolarHBondContact OE1-NH2 3.19Å; E464-R733 IonicContact OE2-CZ 3.38Å; E464-R733 VanDerWaalsContact OE2-CZ 3.26Å; E464-R733 IonicContact OE2-NE 2.75Å; E464-R733 PolarHBondContact OE2-NE 2.95Å; E464-R733 IonicContact OE2-NH2 2.68Å; E464-R733 PolarHBondContact OE2-NH2 3.24Å |
| 465 | Q | 80.3 | Confident | 77.2 | Confident | 33 Ų | 33 | 53.8 Ų | 53.8 | 15% | 0.154 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68 | -30 | 177.8 | -65.7 | -60.9 | -60.3 | 0 | 0 | 112.5 | L461 V468 A469 A484 T487 A488 | L461-Q465 HydrophobicContact CD1-CG 3.67Å; L461-Q465 HydrophobicContact CG-CG 4.17Å; L461-Q465 WeakPolarHBondContact O-CB 3.41Å; L461-Q465 VanDerWaalsContact O-CG 3.26Å; L461-Q465 WeakPolarHBondContact O-CG 3.47Å; L461-Q465 PolarHBondContact O-N 2.92Å; Q465-V468 PolarHBondContact O-N 2.95Å; Q465-A469 VanDerWaalsContact O-CB 3.31Å; Q465-A469 WeakPolarHBondContact O-CB 3.1Å; Q465-A469 PolarHBondContact O-N 3.33Å; Q465-A484 HydrophobicContact CB-CB 4.46Å; Q465-T487 HydrophobicContact CG-CG2 4.05Å; Q465-A488 HydrophobicContact CB-CB 3.97Å |
| 466 | N | 83.6 | Confident | 75.8 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 29% | 0.289 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -65.2 | -41.1 | 168.7 | -72.3 | -25 | 0 | 0 | 0 | 111.8 | V462 Q463 E464 A469 Q470 | V462-N466 VanDerWaalsContact O-CB 3.29Å; V462-N466 WeakPolarHBondContact O-CB 3.43Å; V462-N466 PolarHBondContact O-N 2.9Å; V462-N466 PolarHBondContact O-ND2 3.33Å; V462-N466 VanDerWaalsContact O-ND2 3.08Å; Q463-N466 PolarHBondContact O-N 3.09Å; E464-N466 VanDerWaalsContact C-N 3.31Å; E464-N466 PolarHBondContact O-N 2.93Å; N466-A469 PolarHBondContact O-N 2.87Å; N466-Q470 VanDerWaalsContact O-CG 3.3Å; N466-Q470 WeakPolarHBondContact O-CG 3.15Å; N466-Q470 PolarHBondContact O-N 3.24Å; N466-Q470 VanDerWaalsContact O-N 3.11Å |
| 467 | K | 82.1 | Confident | 74.8 | Confident | 134 Ų | 134 | 58.3 Ų | 58.3 | 58% | 0.583 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.4 | -47.4 | 173.7 | -70.3 | 174 | -179.8 | -178.9 | 0 | 110.8 | Q463 E464 A469 Q470 C471 | Q463-K467 WeakPolarHBondContact O-CG 3.48Å; Q463-K467 PolarHBondContact O-N 3.16Å; E464-K467 WeakPolarHBondContact O-CB 3.39Å; E464-K467 PolarHBondContact O-N 2.83Å; E464-K467 VanDerWaalsContact O-N 3.1Å; K467-A469 VanDerWaalsContact C-N 3.32Å; K467-A469 PolarHBondContact O-N 3.09Å; K467-Q470 PolarHBondContact O-N 3.41Å; K467-C471 PolarHBondContact O-N 2.69Å; K467-C471 PolarHBondContact O-SG 3.24Å; K467-C471 VanDerWaalsContact O-SG 3.34Å |
| 468 | V | 75.8 | Confident | 74.1 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 29% | 0.291 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -57 | -44.7 | 174.8 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | E464 Q465 Q470 C471 V472 A484 | E464-V468 WeakPolarHBondContact O-CG2 3.5Å; E464-V468 PolarHBondContact O-N 3.19Å; Q465-V468 PolarHBondContact O-N 2.95Å; V468-Q470 PolarHBondContact O-N 3.36Å; V468-C471 PolarHBondContact O-N 3.48Å; V468-V472 HydrophobicContact CG1-CG2 4.01Å; V468-V472 VanDerWaalsContact O-CG2 3.3Å; V468-V472 WeakPolarHBondContact O-CG2 3.38Å; V468-V472 PolarHBondContact O-N 2.97Å; V468-A484 HydrophobicContact CB-CB 4.31Å; V468-A484 HydrophobicContact CG1-CB 4Å |
| 469 | A | 76.2 | Confident | 73.3 | Confident | 21 Ų | 21 | 68.8 Ų | 68.8 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.8 | -20.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q465 N466 K467 V481 A484 I485 | Q465-A469 VanDerWaalsContact O-CB 3.31Å; Q465-A469 WeakPolarHBondContact O-CB 3.1Å; Q465-A469 PolarHBondContact O-N 3.33Å; N466-A469 PolarHBondContact O-N 2.87Å; K467-A469 VanDerWaalsContact C-N 3.32Å; K467-A469 PolarHBondContact O-N 3.09Å; A469-V481 HydrophobicContact CB-CG1 4.21Å; A469-A484 HydrophobicContact CB-CB 4.17Å; A469-I485 HydrophobicContact CB-CD1 4.35Å; A469-I485 HydrophobicContact CB-CG1 3.76Å |
| 470 | Q | 77.9 | Confident | 72.4 | Confident | 146 Ų | 146 | 69.7 Ų | 69.7 | 68% | 0.682 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -90.3 | -34.9 | 176 | -71.6 | 169.2 | -6.3 | 0 | 0 | 112.8 | N466 K467 V468 | N466-Q470 VanDerWaalsContact O-CG 3.3Å; N466-Q470 WeakPolarHBondContact O-CG 3.15Å; N466-Q470 PolarHBondContact O-N 3.24Å; N466-Q470 VanDerWaalsContact O-N 3.11Å; K467-Q470 PolarHBondContact O-N 3.41Å; V468-Q470 PolarHBondContact O-N 3.36Å |
| 471 | C | 75 | Confident | 71.8 | Confident | 104 Ų | 104 | 68.7 Ų | 68.7 | 70% | 0.703 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -86.5 | -24.8 | -173.1 | -65 | 0 | 0 | 0 | 0 | 114.9 | K467 V468 | K467-C471 PolarHBondContact O-N 2.69Å; K467-C471 PolarHBondContact O-SG 3.24Å; K467-C471 VanDerWaalsContact O-SG 3.34Å; V468-C471 PolarHBondContact O-N 3.48Å |
| 472 | V | 66.3 | Low | 71.4 | Confident | 53 Ų | 53 | 71.2 Ų | 71.2 | 32% | 0.321 | 43% | 0.429 | S | S | . | . | trans | -83.1 | 120.8 | -170.9 | 177.8 | 0 | 0 | 0 | 0 | 112.3 | V468 A477 T480 V481 | V468-V472 HydrophobicContact CG1-CG2 4.01Å; V468-V472 VanDerWaalsContact O-CG2 3.3Å; V468-V472 WeakPolarHBondContact O-CG2 3.38Å; V468-V472 PolarHBondContact O-N 2.97Å; V472-A477 HydrophobicContact CG1-CB 3.76Å; V472-T480 HydrophobicContact CG1-CG2 4.18Å; V472-T480 HydrophobicContact CG2-CG2 4.31Å; V472-V481 HydrophobicContact CB-CG2 4.11Å | ||
| 473 | S | 59.5 | Low | 70.8 | Confident | 109 Ų | 109 | 75.2 Ų | 75.2 | 76% | 0.762 | 45% | 0.448 | S | S | * | . | trans | -125.2 | 165.3 | 176.3 | 70.1 | 0 | 0 | 0 | 0 | 112 | A477 | S473-A477 VanDerWaalsContact C-CB 3.46Š| ||
| 474 | G | 57.5 | Low | 70.1 | Confident | 61 Ų | 61 | 70.1 Ų | 70.1 | 63% | 0.629 | 42% | 0.424 | S | S | * | . | S | Bend | trans | 109.2 | -175.4 | -179 | 0 | 0 | 0 | 0 | 0 | 115.4 | T476 A477 | G474-T476 PolarHBondContact O-N 3.09Å; G474-A477 WeakPolarHBondContact O-CB 3.4Å; G474-A477 PolarHBondContact O-N 2.98Å |
| 475 | A | 49.6 | Very low | 69.9 | Low | 104 Ų | 104 | 73.2 Ų | 73.2 | 86% | 0.86 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.3 | -34.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 476 | T | 57 | Low | 69.6 | Low | 107 Ų | 107 | 73.9 Ų | 73.9 | 66% | 0.656 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -12.2 | 175.2 | 45 | 0 | 0 | 0 | 0 | 113.2 | G474 S478 R479 T480 | G474-T476 PolarHBondContact O-N 3.09Å; T476-S478 VanDerWaalsContact C-N 3.26Å; T476-S478 PolarHBondContact O-N 2.89Å; T476-S478 VanDerWaalsContact O-N 3.17Å; T476-R479 PolarHBondContact O-N 3.42Å; T476-T480 PolarHBondContact O-N 2.87Å |
| 477 | A | 61.7 | Low | 69.1 | Low | 8 Ų | 8 | 72.8 Ų | 72.8 | 7% | 0.066 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -57.2 | -36.3 | -172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | V472 S473 G474 R479 T480 V481 | V472-A477 HydrophobicContact CG1-CB 3.76Å; S473-A477 VanDerWaalsContact C-CB 3.46Å; G474-A477 WeakPolarHBondContact O-CB 3.4Å; G474-A477 PolarHBondContact O-N 2.98Å; A477-R479 PolarHBondContact O-N 3.02Å; A477-T480 PolarHBondContact O-N 3.1Å; A477-T480 VanDerWaalsContact O-N 3.17Å; A477-V481 VanDerWaalsContact O-CB 3.24Å; A477-V481 WeakPolarHBondContact O-CB 3.23Å; A477-V481 VanDerWaalsContact O-CG2 3.24Å; A477-V481 WeakPolarHBondContact O-CG2 3.45Å; A477-V481 PolarHBondContact O-N 2.93Å |
| 478 | S | 70 | Confident | 69 | Low | 96 Ų | 96 | 66.5 Ų | 66.5 | 67% | 0.671 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -55.5 | -34.1 | 177.1 | 57.8 | 0 | 0 | 0 | 0 | 113.2 | T476 A482 | T476-S478 VanDerWaalsContact C-N 3.26Å; T476-S478 PolarHBondContact O-N 2.89Å; T476-S478 VanDerWaalsContact O-N 3.17Å; S478-A482 WeakPolarHBondContact O-CB 3.34Å; S478-A482 PolarHBondContact O-N 3.37Å |
| 479 | R | 66.2 | Low | 69.3 | Low | 130 Ų | 130 | 66.9 Ų | 66.9 | 49% | 0.491 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -78.9 | -45.9 | 175.7 | -179.4 | 174.5 | 161.4 | -167.9 | -15.1 | 111.5 | T476 A477 A482 Q483 D928 | T476-R479 PolarHBondContact O-N 3.42Å; A477-R479 PolarHBondContact O-N 3.02Å; R479-A482 PolarHBondContact O-N 3.3Å; R479-Q483 WeakPolarHBondContact O-CB 3.41Å; R479-Q483 PolarHBondContact O-N 3.14Å; R479-D928 IonicContact CZ-OD1 3.83Å; R479-D928 IonicContact NH1-OD1 3.25Å; R479-D928 PolarHBondContact NH1-OD1 3.13Å; R479-D928 IonicContact NH2-OD1 3.77Å; R479-D928 PolarHBondContact NH2-OD1 3.17Å |
| 480 | T | 67.4 | Low | 69.5 | Low | 58 Ų | 58 | 68.5 Ų | 68.5 | 36% | 0.356 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 179.4 | -48.7 | 0 | 0 | 0 | 0 | 112 | V472 T476 A477 Q483 A484 | V472-T480 HydrophobicContact CG1-CG2 4.18Å; V472-T480 HydrophobicContact CG2-CG2 4.31Å; T476-T480 PolarHBondContact O-N 2.87Å; A477-T480 PolarHBondContact O-N 3.1Å; A477-T480 VanDerWaalsContact O-N 3.17Å; T480-Q483 PolarHBondContact O-N 3.41Å; T480-A484 WeakPolarHBondContact O-CB 3.2Å; T480-A484 PolarHBondContact O-N 3.34Å |
| 481 | V | 71.4 | Confident | 69.7 | Low | 31 Ų | 31 | 61.6 Ų | 61.6 | 19% | 0.188 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 176.4 | 172.4 | 0 | 0 | 0 | 0 | 110.8 | A469 V472 A477 Q483 A484 I485 | A469-V481 HydrophobicContact CB-CG1 4.21Å; V472-V481 HydrophobicContact CB-CG2 4.11Å; A477-V481 VanDerWaalsContact O-CB 3.24Å; A477-V481 WeakPolarHBondContact O-CB 3.23Å; A477-V481 VanDerWaalsContact O-CG2 3.24Å; A477-V481 WeakPolarHBondContact O-CG2 3.45Å; A477-V481 PolarHBondContact O-N 2.93Å; V481-Q483 VanDerWaalsContact C-N 3.34Å; V481-Q483 PolarHBondContact O-N 3.34Å; V481-A484 PolarHBondContact O-N 3.25Å; V481-I485 HydrophobicContact CG1-CD1 3.67Å; V481-I485 HydrophobicContact CG1-CG1 4.37Å; V481-I485 WeakPolarHBondContact O-CB 3.44Å; V481-I485 VanDerWaalsContact O-CG1 3.23Å; V481-I485 WeakPolarHBondContact O-CG1 3.3Å; V481-I485 PolarHBondContact O-N 3.04Å |
| 482 | A | 72.8 | Confident | 70.1 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 48% | 0.479 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.4 | S478 R479 A486 | S478-A482 WeakPolarHBondContact O-CB 3.34Å; S478-A482 PolarHBondContact O-N 3.37Å; R479-A482 PolarHBondContact O-N 3.3Å; A482-A486 WeakPolarHBondContact O-CB 3.38Å; A482-A486 PolarHBondContact O-N 2.78Å |
| 483 | Q | 70.4 | Confident | 70.9 | Confident | 87 Ų | 87 | 59.1 Ų | 59.1 | 41% | 0.407 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 175.3 | -177.3 | 173.3 | -29.8 | 0 | 0 | 111.4 | R479 T480 V481 I485 A486 T487 | R479-Q483 WeakPolarHBondContact O-CB 3.41Å; R479-Q483 PolarHBondContact O-N 3.14Å; T480-Q483 PolarHBondContact O-N 3.41Å; V481-Q483 VanDerWaalsContact C-N 3.34Å; V481-Q483 PolarHBondContact O-N 3.34Å; Q483-I485 PolarHBondContact O-N 2.96Å; Q483-A486 WeakPolarHBondContact O-CB 3.33Å; Q483-A486 PolarHBondContact O-N 3.32Å; Q483-A486 VanDerWaalsContact O-N 3.17Å; Q483-T487 PolarHBondContact O-N 2.93Å; Q483-T487 PolarHBondContact O-OG1 3Å; Q483-T487 VanDerWaalsContact O-OG1 3.14Å |
| 484 | A | 70.5 | Confident | 72 | Confident | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.4 | -43.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q465 V468 A469 T480 V481 A486 T487 A488 | Q465-A484 HydrophobicContact CB-CB 4.46Å; V468-A484 HydrophobicContact CB-CB 4.31Å; V468-A484 HydrophobicContact CG1-CB 4Å; A469-A484 HydrophobicContact CB-CB 4.17Å; T480-A484 WeakPolarHBondContact O-CB 3.2Å; T480-A484 PolarHBondContact O-N 3.34Å; V481-A484 PolarHBondContact O-N 3.25Å; A484-A486 VanDerWaalsContact C-N 3.33Å; A484-A486 PolarHBondContact O-N 3.24Å; A484-T487 PolarHBondContact O-N 3.35Å; A484-A488 WeakPolarHBondContact O-CB 3.24Å; A484-A488 PolarHBondContact O-N 3.17Å |
| 485 | I | 78 | Confident | 73.4 | Confident | 93 Ų | 93 | 51.2 Ų | 51.2 | 48% | 0.477 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -62.6 | -39.4 | 174.5 | -68.8 | 169.9 | 0 | 0 | 0 | 111.3 | A469 V481 Q483 A489 | A469-I485 HydrophobicContact CB-CD1 4.35Å; A469-I485 HydrophobicContact CB-CG1 3.76Å; V481-I485 HydrophobicContact CG1-CD1 3.67Å; V481-I485 HydrophobicContact CG1-CG1 4.37Å; V481-I485 WeakPolarHBondContact O-CB 3.44Å; V481-I485 VanDerWaalsContact O-CG1 3.23Å; V481-I485 WeakPolarHBondContact O-CG1 3.3Å; V481-I485 PolarHBondContact O-N 3.04Å; Q483-I485 PolarHBondContact O-N 2.96Å; I485-A489 WeakPolarHBondContact O-CB 3.17Å; I485-A489 PolarHBondContact O-N 3.45Å |
| 486 | A | 72.8 | Confident | 75.1 | Confident | 48 Ų | 48 | 46.6 Ų | 46.6 | 40% | 0.397 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -65 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A482 Q483 A484 A488 A489 Q490 | A482-A486 WeakPolarHBondContact O-CB 3.38Å; A482-A486 PolarHBondContact O-N 2.78Å; Q483-A486 WeakPolarHBondContact O-CB 3.33Å; Q483-A486 PolarHBondContact O-N 3.32Å; Q483-A486 VanDerWaalsContact O-N 3.17Å; A484-A486 VanDerWaalsContact C-N 3.33Å; A484-A486 PolarHBondContact O-N 3.24Å; A486-A488 VanDerWaalsContact C-N 3.35Å; A486-A488 PolarHBondContact O-N 3.21Å; A486-A489 PolarHBondContact O-N 3.17Å; A486-A489 VanDerWaalsContact O-N 3.15Å; A486-Q490 WeakPolarHBondContact O-CG 3.25Å; A486-Q490 PolarHBondContact O-N 3.35Å |
| 487 | T | 74.1 | Confident | 76.5 | Confident | 30 Ų | 30 | 42.5 Ų | 42.5 | 18% | 0.184 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.3 | -57.1 | 0 | 0 | 0 | 0 | 111.6 | L461 Q465 Q483 A484 A489 Q490 A491 | L461-T487 HydrophobicContact CD2-CG2 4.22Å; Q465-T487 HydrophobicContact CG-CG2 4.05Å; Q483-T487 PolarHBondContact O-N 2.93Å; Q483-T487 PolarHBondContact O-OG1 3Å; Q483-T487 VanDerWaalsContact O-OG1 3.14Å; A484-T487 PolarHBondContact O-N 3.35Å; T487-A489 PolarHBondContact O-N 3.39Å; T487-Q490 PolarHBondContact O-N 3.17Å; T487-A491 VanDerWaalsContact O-CB 3.23Å; T487-A491 WeakPolarHBondContact O-CB 3.09Å; T487-A491 PolarHBondContact O-N 3.31Å |
| 488 | A | 79.3 | Confident | 77.7 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 2% | 0.017 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.9 | -39.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V462 Q465 A484 A486 R492 | V462-A488 WeakPolarHBondContact CG2-O 3.44Å; Q465-A488 HydrophobicContact CB-CB 3.97Å; A484-A488 WeakPolarHBondContact O-CB 3.24Å; A484-A488 PolarHBondContact O-N 3.17Å; A486-A488 VanDerWaalsContact C-N 3.35Å; A486-A488 PolarHBondContact O-N 3.21Å; A488-R492 WeakPolarHBondContact O-CB 3.24Å; A488-R492 PolarHBondContact O-N 3.32Å; A488-R492 VanDerWaalsContact O-N 3.12Å |
| 489 | A | 81.2 | Confident | 78.5 | Confident | 57 Ų | 57 | 37.7 Ų | 37.7 | 47% | 0.471 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -66.9 | -43.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112 | I485 A486 T487 A493 | I485-A489 WeakPolarHBondContact O-CB 3.17Å; I485-A489 PolarHBondContact O-N 3.45Å; A486-A489 PolarHBondContact O-N 3.17Å; A486-A489 VanDerWaalsContact O-N 3.15Å; T487-A489 PolarHBondContact O-N 3.39Å; A489-A493 PolarHBondContact O-N 3.22Å; A489-A493 VanDerWaalsContact O-N 3.11Å |
| 490 | Q | 80.7 | Confident | 79.5 | Confident | 55 Ų | 55 | 31.5 Ų | 31.5 | 26% | 0.257 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -66.7 | -43.2 | 177.6 | -66.8 | 172.6 | -55.4 | 0 | 0 | 112.2 | A486 T487 R492 A493 G494 A918 S921 V922 | A486-Q490 WeakPolarHBondContact O-CG 3.25Å; A486-Q490 PolarHBondContact O-N 3.35Å; T487-Q490 PolarHBondContact O-N 3.17Å; Q490-R492 VanDerWaalsContact C-N 3.34Å; Q490-R492 PolarHBondContact O-N 2.95Å; Q490-A493 PolarHBondContact O-N 3.47Å; Q490-G494 PolarHBondContact O-N 2.91Å; Q490-A918 PolarHBondContact NE2-O 2.73Å; Q490-S921 PolarHBondContact NE2-OG 3.06Å; Q490-V922 HydrophobicContact CB-CG2 3.37Å; Q490-V922 HydrophobicContact CG-CG2 4.41Å |
| 491 | A | 82.1 | Confident | 80.4 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -62.5 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | L458 L461 V462 T487 G494 A495 V922 | L458-A491 HydrophobicContact CD2-CB 4.04Å; L461-A491 HydrophobicContact CB-CB 4.5Å; L461-A491 HydrophobicContact CD2-CB 3.85Å; L461-A491 HydrophobicContact CG-CB 4.2Å; V462-A491 HydrophobicContact CG2-CB 3.76Å; T487-A491 VanDerWaalsContact O-CB 3.23Å; T487-A491 WeakPolarHBondContact O-CB 3.09Å; T487-A491 PolarHBondContact O-N 3.31Å; A491-G494 PolarHBondContact O-N 3.44Å; A491-A495 PolarHBondContact O-N 2.81Å; A491-V922 HydrophobicContact CB-CG1 4.25Å |
| 492 | R | 83.8 | Confident | 81.2 | Confident | 64 Ų | 64 | 30.2 Ų | 30.2 | 24% | 0.242 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -46.9 | 173.9 | -167.8 | -169.4 | -53.4 | -154.1 | -3.1 | 112.3 | V462 A488 Q490 G494 A495 G496 Y771 D772 | V462-R492 HydrophobicContact CG2-CB 3.93Å; A488-R492 WeakPolarHBondContact O-CB 3.24Å; A488-R492 PolarHBondContact O-N 3.32Å; A488-R492 VanDerWaalsContact O-N 3.12Å; Q490-R492 VanDerWaalsContact C-N 3.34Å; Q490-R492 PolarHBondContact O-N 2.95Å; R492-G494 VanDerWaalsContact C-N 3.3Å; R492-G494 PolarHBondContact O-N 3.03Å; R492-A495 WeakPolarHBondContact O-CB 3.28Å; R492-A495 PolarHBondContact O-N 3.18Å; R492-G496 PolarHBondContact O-N 3.08Å; R492-Y771 HydrophobicContact CG-CD1 4.34Å; R492-Y771 HydrophobicContact CG-CE1 3.85Å; R492-D772 WeakPolarHBondContact CD-OD1 3.49Å; R492-D772 WeakPolarHBondContact CD-OD2 3.5Å; R492-D772 HydrophobicContact CG-CB 3.83Å; R492-D772 IonicContact NH1-OD1 2.77Å |
| 493 | A | 82.5 | Confident | 81.8 | Confident | 42 Ų | 42 | 27.5 Ų | 27.5 | 35% | 0.347 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -60.6 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | A489 Q490 G496 V497 | A489-A493 PolarHBondContact O-N 3.22Å; A489-A493 VanDerWaalsContact O-N 3.11Å; Q490-A493 PolarHBondContact O-N 3.47Å; A493-G496 PolarHBondContact O-N 3.13Å; A493-V497 WeakPolarHBondContact O-CG2 3.29Å; A493-V497 PolarHBondContact O-N 3.19Å |
| 494 | G | 83.7 | Confident | 82.5 | Confident | 1 Ų | 1 | 27.5 Ų | 27.5 | 1% | 0.01 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -61 | -41.9 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L458 Q490 A491 R492 G496 V497 L498 | L458-G494 VanDerWaalsContact CD1-C 3.47Å; Q490-G494 PolarHBondContact O-N 2.91Å; A491-G494 PolarHBondContact O-N 3.44Å; R492-G494 VanDerWaalsContact C-N 3.3Å; R492-G494 PolarHBondContact O-N 3.03Å; G494-G496 VanDerWaalsContact C-N 3.34Å; G494-G496 PolarHBondContact O-N 2.98Å; G494-V497 PolarHBondContact O-N 3.47Å; G494-L498 PolarHBondContact O-N 3.03Å |
| 495 | A | 85.8 | Confident | 83.2 | Confident | 3 Ų | 3 | 28.4 Ų | 28.4 | 3% | 0.025 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L458 A491 R492 L498 A499 | L458-A495 HydrophobicContact CB-CB 3.93Å; L458-A495 HydrophobicContact CD1-CB 4.37Å; A491-A495 PolarHBondContact O-N 2.81Å; R492-A495 WeakPolarHBondContact O-CB 3.28Å; R492-A495 PolarHBondContact O-N 3.18Å; A495-L498 PolarHBondContact O-N 3.25Å; A495-A499 WeakPolarHBondContact O-CB 3.36Å; A495-A499 PolarHBondContact O-N 2.91Å |
| 496 | G | 85.1 | Confident | 83.4 | Confident | 6 Ų | 6 | 24.1 Ų | 24.1 | 6% | 0.062 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R492 A493 G494 A499 G500 L778 | R492-G496 PolarHBondContact O-N 3.08Å; A493-G496 PolarHBondContact O-N 3.13Å; G494-G496 VanDerWaalsContact C-N 3.34Å; G494-G496 PolarHBondContact O-N 2.98Å; G496-A499 PolarHBondContact O-N 3.47Å; G496-G500 PolarHBondContact O-N 3.2Å; G496-L778 WeakPolarHBondContact O-CD2 3.37Å |
| 497 | V | 86.3 | Confident | 83.6 | Confident | 21 Ų | 21 | 23.9 Ų | 23.9 | 13% | 0.127 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -62.4 | -42.4 | 174.1 | 167.9 | 0 | 0 | 0 | 0 | 111.6 | A493 G494 R501 L916 | A493-V497 WeakPolarHBondContact O-CG2 3.29Å; A493-V497 PolarHBondContact O-N 3.19Å; G494-V497 PolarHBondContact O-N 3.47Å; V497-R501 WeakPolarHBondContact O-CB 3.46Å; V497-R501 PolarHBondContact O-N 2.99Å; V497-L916 HydrophobicContact CG1-CD1 3.75Å; V497-L916 HydrophobicContact CG1-CD2 4.49Å; V497-L916 HydrophobicContact CG1-CG 4.09Å |
| 498 | L | 87.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -68.2 | -42.2 | 176.9 | -68.3 | 177.6 | 0 | 0 | 0 | 112.5 | C430 C431 L451 G454 I455 L458 G494 A495 R501 L502 | C430-L498 HydrophobicContact CB-CD1 4.3Å; C430-L498 HydrophobicContact CB-CD2 4.1Å; C431-L498 VanDerWaalsContact SG-CD2 3.53Å; L451-L498 HydrophobicContact CD2-CD2 3.83Å; G454-L498 VanDerWaalsContact C-CD1 3.41Å; I455-L498 HydrophobicContact CD1-CB 4.2Å; I455-L498 HydrophobicContact CG1-CB 3.51Å; I455-L498 HydrophobicContact CG1-CD1 4.33Å; L458-L498 HydrophobicContact CD1-CD1 3.76Å; G494-L498 PolarHBondContact O-N 3.03Å; A495-L498 PolarHBondContact O-N 3.25Å; L498-R501 WeakPolarHBondContact O-CB 3.33Å; L498-R501 PolarHBondContact O-N 3.3Å; L498-L502 PolarHBondContact O-N 2.85Å |
| 499 | A | 87.2 | Confident | 82.5 | Confident | 4 Ų | 4 | 32.7 Ų | 32.7 | 3% | 0.033 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -63.4 | -43.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | I455 A495 G496 R501 L502 A503 V764 A768 | I455-A499 HydrophobicContact CD1-CB 3.99Å; A495-A499 WeakPolarHBondContact O-CB 3.36Å; A495-A499 PolarHBondContact O-N 2.91Å; G496-A499 PolarHBondContact O-N 3.47Å; A499-R501 VanDerWaalsContact C-N 3.27Å; A499-R501 PolarHBondContact O-N 2.88Å; A499-L502 WeakPolarHBondContact O-CB 3.45Å; A499-L502 PolarHBondContact O-N 2.84Å; A499-A503 PolarHBondContact O-N 3.27Å; A499-V764 HydrophobicContact CB-CG1 4.23Å; A499-A768 HydrophobicContact CB-CB 3.57Å |
| 500 | G | 86.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.7 | -33.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G496 R504 | G496-G500 PolarHBondContact O-N 3.2Å; G500-R504 WeakPolarHBondContact O-CG 3.41Å; G500-R504 PolarHBondContact O-N 3.11Å; G500-R504 VanDerWaalsContact O-N 3.12Å; G500-R504 PolarHBondContact O-NH1 3.19Å |
| 501 | R | 86.9 | Confident | 80.1 | Confident | 59 Ų | 59 | 41.4 Ų | 41.4 | 22% | 0.223 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -68.7 | -41.7 | 173.2 | -167.9 | 178 | -161.3 | 108.2 | 15.7 | 112 | C431 D435 L451 V497 L498 A499 R504 L505 | C431-R501 VanDerWaalsContact CB-NH1 3.34Å; C431-R501 PolarHBondContact SG-NH1 3.1Å; D435-R501 IonicContact OD1-CZ 3.94Å; D435-R501 IonicContact OD1-NE 2.79Å; D435-R501 IonicContact OD1-NH2 3.27Å; D435-R501 PolarHBondContact OD1-NH2 2.97Å; D435-R501 IonicContact OD2-CZ 3.74Å; D435-R501 IonicContact OD2-NH2 3.21Å; D435-R501 PolarHBondContact OD2-NH2 2.73Å; L451-R501 HydrophobicContact CD1-CG 4.48Å; V497-R501 WeakPolarHBondContact O-CB 3.46Å; V497-R501 PolarHBondContact O-N 2.99Å; L498-R501 WeakPolarHBondContact O-CB 3.33Å; L498-R501 PolarHBondContact O-N 3.3Å; A499-R501 VanDerWaalsContact C-N 3.27Å; A499-R501 PolarHBondContact O-N 2.88Å; R501-R504 PolarHBondContact O-N 3.45Å; R501-L505 PolarHBondContact O-N 2.81Å |
| 502 | L | 87.5 | Confident | 79 | Confident | 3 Ų | 3 | 42.6 Ų | 42.6 | 2% | 0.016 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 176.1 | -178.2 | 60.2 | 0 | 0 | 0 | 111.4 | I448 L451 I455 L498 A499 R504 L505 F506 V764 | I448-L502 HydrophobicContact CB-CD1 4.37Å; I448-L502 HydrophobicContact CG1-CD1 4.15Å; I448-L502 HydrophobicContact CG2-CD1 4.18Å; L451-L502 HydrophobicContact CB-CD1 4.44Å; L451-L502 HydrophobicContact CD1-CB 4.09Å; L451-L502 HydrophobicContact CD1-CD1 4.06Å; I455-L502 HydrophobicContact CD1-CD2 4.32Å; L498-L502 PolarHBondContact O-N 2.85Å; A499-L502 WeakPolarHBondContact O-CB 3.45Å; A499-L502 PolarHBondContact O-N 2.84Å; L502-R504 PolarHBondContact O-N 2.65Å; L502-L505 HydrophobicContact CD1-CD2 4.44Å; L502-L505 WeakPolarHBondContact O-CB 3.48Å; L502-L505 PolarHBondContact O-N 3.24Å; L502-L505 VanDerWaalsContact O-N 3.12Å; L502-F506 HydrophobicContact CD1-CE1 4.22Å; L502-F506 HydrophobicContact CD1-CE2 3.88Å; L502-F506 HydrophobicContact CD1-CZ 3.63Å; L502-F506 HydrophobicContact CD2-CE2 4.39Å; L502-F506 HydrophobicContact CG-CD2 4.46Å; L502-F506 HydrophobicContact CG-CE2 3.75Å; L502-F506 HydrophobicContact CG-CZ 4.03Å; L502-F506 WeakPolarHBondContact O-CD2 3.49Å; L502-F506 PolarHBondContact O-N 2.94Å; L502-F506 VanDerWaalsContact O-N 3.13Å; L502-V764 HydrophobicContact CB-CG1 4.34Å; L502-V764 HydrophobicContact CD2-CG1 4.1Å; L502-V764 HydrophobicContact CD2-CG2 4.25Å; L502-V764 HydrophobicContact CG-CG1 4.31Å |
| 503 | A | 86.8 | Confident | 77.5 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A499 L505 F506 H507 A761 V764 L765 I785 | A499-A503 PolarHBondContact O-N 3.27Å; A503-L505 VanDerWaalsContact C-N 3.31Å; A503-L505 PolarHBondContact O-N 2.99Å; A503-F506 PolarHBondContact O-N 3.31Å; A503-H507 PolarHBondContact O-N 3.3Å; A503-A761 HydrophobicContact CB-CB 4.04Å; A503-A761 WeakPolarHBondContact O-CB 3.48Å; A503-V764 HydrophobicContact CB-CG1 4.46Å; A503-L765 HydrophobicContact CB-CD1 3.99Å; A503-L765 HydrophobicContact CB-CD2 3.93Å; A503-L765 HydrophobicContact CB-CG 3.61Å; A503-I785 HydrophobicContact CB-CD1 4.35Å |
| 504 | R | 84.6 | Confident | 76.3 | Confident | 86 Ų | 86 | 46.9 Ų | 46.9 | 33% | 0.325 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -65.1 | -31.5 | 173.5 | -77.4 | -169.5 | -63.7 | -76.7 | 7.8 | 113.5 | G500 R501 L502 R508 | G500-R504 WeakPolarHBondContact O-CG 3.41Å; G500-R504 PolarHBondContact O-N 3.11Å; G500-R504 VanDerWaalsContact O-N 3.12Å; G500-R504 PolarHBondContact O-NH1 3.19Å; R501-R504 PolarHBondContact O-N 3.45Å; L502-R504 PolarHBondContact O-N 2.65Å; R504-R508 WeakPolarHBondContact O-CB 3.17Å; R504-R508 PolarHBondContact O-N 2.67Å; R504-R508 VanDerWaalsContact O-N 3.12Å |
| 505 | L | 84.4 | Confident | 75 | Confident | 22 Ų | 22 | 53.3 Ų | 53.3 | 12% | 0.115 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.8 | -39.5 | 175.8 | 169.1 | 156.4 | 0 | 0 | 0 | 111.3 | L444 I447 I448 L451 R501 L502 A503 N509 | L444-L505 HydrophobicContact CD1-CD1 4.43Å; L444-L505 HydrophobicContact CD1-CD2 3.8Å; L444-L505 HydrophobicContact CD1-CG 4.27Å; L444-L505 HydrophobicContact CG-CD2 4.44Å; I447-L505 HydrophobicContact CB-CD1 4.11Å; I447-L505 HydrophobicContact CG2-CD1 3.44Å; I447-L505 VanDerWaalsContact CG2-CD1 3.44Å; I448-L505 HydrophobicContact CG1-CD2 4.33Å; L451-L505 HydrophobicContact CD1-CD1 4.28Å; R501-L505 PolarHBondContact O-N 2.81Å; L502-L505 HydrophobicContact CD1-CD2 4.44Å; L502-L505 WeakPolarHBondContact O-CB 3.48Å; L502-L505 PolarHBondContact O-N 3.24Å; L502-L505 VanDerWaalsContact O-N 3.12Å; A503-L505 VanDerWaalsContact C-N 3.31Å; A503-L505 PolarHBondContact O-N 2.99Å; L505-N509 WeakPolarHBondContact O-CB 3.26Å |
| 506 | F | 82.5 | Confident | 74 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.009 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 173.5 | -60.4 | -40.7 | 0 | 0 | 0 | 112.4 | I448 L502 A503 R508 I517 L522 C757 A760 A761 V764 | I448-F506 HydrophobicContact CD1-CE1 3.71Å; I448-F506 HydrophobicContact CD1-CZ 4.21Å; I448-F506 HydrophobicContact CG1-CE1 3.79Å; I448-F506 HydrophobicContact CG1-CZ 4.08Å; I448-F506 HydrophobicContact CG2-CZ 4.42Å; L502-F506 HydrophobicContact CD1-CE1 4.22Å; L502-F506 HydrophobicContact CD1-CE2 3.88Å; L502-F506 HydrophobicContact CD1-CZ 3.63Å; L502-F506 HydrophobicContact CD2-CE2 4.39Å; L502-F506 HydrophobicContact CG-CD2 4.46Å; L502-F506 HydrophobicContact CG-CE2 3.75Å; L502-F506 HydrophobicContact CG-CZ 4.03Å; L502-F506 WeakPolarHBondContact O-CD2 3.49Å; L502-F506 PolarHBondContact O-N 2.94Å; L502-F506 VanDerWaalsContact O-N 3.13Å; A503-F506 PolarHBondContact O-N 3.31Å; F506-R508 PolarHBondContact O-N 3.47Å; F506-I517 HydrophobicContact CB-CD1 4.17Å; F506-I517 HydrophobicContact CD1-CD1 3.36Å; F506-I517 HydrophobicContact CD2-CD1 4.48Å; F506-I517 HydrophobicContact CE1-CD1 3.75Å; F506-I517 HydrophobicContact CG-CD1 3.78Å; F506-I517 HydrophobicContact CZ-CD1 4.45Å; F506-L522 HydrophobicContact CD2-CD2 4.45Å; F506-L522 HydrophobicContact CE2-CD2 3.48Å; F506-L522 VanDerWaalsContact CE2-CD2 3.48Å; F506-L522 HydrophobicContact CZ-CD2 3.57Å; F506-C757 WeakPolarHBondContact CB-O 3.45Å; F506-C757 WeakPolarHBondContact O-CB 3.38Å; F506-A760 HydrophobicContact CD2-CB 4.14Å; F506-A760 HydrophobicContact CG-CB 4.47Å; F506-A761 HydrophobicContact CB-CB 4.18Å; F506-V764 HydrophobicContact CE2-CG2 4.09Å |
| 507 | H | 76.4 | Confident | 73.3 | Confident | 43 Ų | 43 | 53.5 Ų | 53.5 | 20% | 0.199 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -68.5 | -34 | -176.6 | -173.3 | -68.7 | 0 | 0 | 0 | 114.7 | A503 I785 Q788 | A503-H507 PolarHBondContact O-N 3.3Å; H507-I785 HydrophobicContact CB-CD1 4.16Å; H507-I785 HydrophobicContact CB-CG1 4.44Å; H507-I785 VanDerWaalsContact CD2-CG1 3.5Å; H507-I785 WeakPolarHBondContact CD2-CG1 3.43Å; H507-Q788 PolarHBondContact CE1-OE1 2.87Å |
| 508 | R | 67 | Low | 72.5 | Confident | 164 Ų | 164 | 54 Ų | 54 | 62% | 0.619 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -96.9 | -11.9 | -169.3 | -73.2 | -171.3 | 171.4 | -161.3 | -1.1 | 115.5 | R504 F506 E510 | R504-R508 WeakPolarHBondContact O-CB 3.17Å; R504-R508 PolarHBondContact O-N 2.67Å; R504-R508 VanDerWaalsContact O-N 3.12Å; F506-R508 PolarHBondContact O-N 3.47Å; R508-E510 PolarHBondContact O-N 3.18Å |
| 509 | N | 62.9 | Low | 71.8 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 29% | 0.289 | 29% | 0.286 | S | S | . | . | trans | -101.1 | 88.9 | -159.2 | -170.2 | 26.5 | 0 | 0 | 0 | 111.9 | L505 S511 L512 | L505-N509 WeakPolarHBondContact O-CB 3.26Å; N509-S511 PolarHBondContact ND2-OG 3.34Å; N509-S511 VanDerWaalsContact ND2-OG 3.1Å; N509-S511 PolarHBondContact O-N 2.84Å; N509-S511 PolarHBondContact OD1-OG 2.9Å; N509-L512 HydrophobicContact CB-CD1 3.64Å; N509-L512 VanDerWaalsContact ND2-CD1 3.31Å; N509-L512 WeakPolarHBondContact ND2-CD1 3.43Å; N509-L512 VanDerWaalsContact O-CD1 3.23Å; N509-L512 WeakPolarHBondContact O-CD1 3.4Å; N509-L512 PolarHBondContact O-N 3.4Å | ||
| 510 | E | 56.7 | Low | 70.9 | Confident | 197 Ų | 197 | 57.6 Ų | 57.6 | 92% | 0.921 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -11.1 | 178.2 | -60 | 176.6 | 170.6 | 0 | 0 | 114.6 | R508 | R508-E510 PolarHBondContact O-N 3.18Š|
| 511 | S | 55.4 | Low | 70 | Confident | 97 Ų | 97 | 58.9 Ų | 58.9 | 68% | 0.678 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -4 | 175.5 | 65.8 | 0 | 0 | 0 | 0 | 115 | N509 | N509-S511 PolarHBondContact ND2-OG 3.34Å; N509-S511 VanDerWaalsContact ND2-OG 3.1Å; N509-S511 PolarHBondContact O-N 2.84Å; N509-S511 PolarHBondContact OD1-OG 2.9Å |
| 512 | L | 58.6 | Low | 69 | Low | 25 Ų | 25 | 56.9 Ų | 56.9 | 13% | 0.131 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -69 | 143.8 | 167.9 | -84.9 | 77.2 | 0 | 0 | 0 | 110.1 | L444 N509 I517 C757 | L444-L512 HydrophobicContact CD1-CD1 4.29Å; L444-L512 HydrophobicContact CD2-CD1 3.53Å; L444-L512 HydrophobicContact CD2-CD2 3.92Å; L444-L512 HydrophobicContact CD2-CG 3.59Å; N509-L512 HydrophobicContact CB-CD1 3.64Å; N509-L512 VanDerWaalsContact ND2-CD1 3.31Å; N509-L512 WeakPolarHBondContact ND2-CD1 3.43Å; N509-L512 VanDerWaalsContact O-CD1 3.23Å; N509-L512 WeakPolarHBondContact O-CD1 3.4Å; N509-L512 PolarHBondContact O-N 3.4Å; L512-I517 HydrophobicContact CD2-CD1 3.5Å; L512-I517 HydrophobicContact CD2-CG1 3.47Å; L512-I517 VanDerWaalsContact CD2-CG1 3.47Å; L512-C757 HydrophobicContact CD2-CB 4.36Å; L512-C757 VanDerWaalsContact CD2-SG 3.54Å |
| 513 | S | 54 | Low | 67.6 | Low | 65 Ų | 65 | 60.6 Ų | 60.6 | 46% | 0.455 | 32% | 0.315 | S | S | . | . | trans | -54.4 | 134.9 | 172.1 | 38 | 0 | 0 | 0 | 0 | 110.6 | D515 G516 | S513-D515 PolarHBondContact O-N 3.24Å; S513-G516 PolarHBondContact O-N 2.96Å; S513-G516 PolarHBondContact OG-O 3.34Å | ||
| 514 | P | 55.6 | Low | 66.3 | Low | 132 Ų | 132 | 60.6 Ų | 60.6 | 86% | 0.857 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -18.2 | -179.2 | 27.9 | -36 | 0 | 0 | 0 | 112.7 | G516 | P514-G516 PolarHBondContact O-N 3.19Š|
| 515 | D | 56.8 | Low | 64.7 | Low | 135 Ų | 135 | 60 Ų | 60 | 72% | 0.722 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.8 | 176.7 | -44.4 | -70 | 0 | 0 | 0 | 113.2 | S513 V754 | S513-D515 PolarHBondContact O-N 3.24Å; D515-V754 WeakPolarHBondContact O-CG1 3.4Å |
| 516 | G | 65.9 | Low | 62.9 | Low | 8 Ų | 8 | 61.9 Ų | 61.9 | 8% | 0.082 | 34% | 0.337 | C | S | . | . | trans | 105.3 | -163.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | S513 P514 | S513-G516 PolarHBondContact O-N 2.96Å; S513-G516 PolarHBondContact OG-O 3.34Å; P514-G516 PolarHBondContact O-N 3.19Å | ||
| 517 | I | 70.8 | Confident | 61 | Low | 6 Ų | 6 | 67.6 Ų | 67.6 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 124.7 | -179.3 | -55.8 | 169.6 | 0 | 0 | 0 | 109.5 | F506 L512 M521 I755 C757 A760 | F506-I517 HydrophobicContact CB-CD1 4.17Å; F506-I517 HydrophobicContact CD1-CD1 3.36Å; F506-I517 HydrophobicContact CD2-CD1 4.48Å; F506-I517 HydrophobicContact CE1-CD1 3.75Å; F506-I517 HydrophobicContact CG-CD1 3.78Å; F506-I517 HydrophobicContact CZ-CD1 4.45Å; L512-I517 HydrophobicContact CD2-CD1 3.5Å; L512-I517 HydrophobicContact CD2-CG1 3.47Å; L512-I517 VanDerWaalsContact CD2-CG1 3.47Å; I517-M521 HydrophobicContact CG2-CB 4.07Å; I517-M521 HydrophobicContact CG2-SD 4.26Å; I517-I755 PolarHBondContact N-O 3.12Å; I517-I755 PolarHBondContact O-N 3.49Å; I517-C757 HydrophobicContact CD1-CB 4.38Å; I517-A760 HydrophobicContact CD1-CB 3.76Å |
| 518 | P | 69.5 | Low | 59.2 | Low | 32 Ų | 32 | 71.2 Ų | 71.2 | 21% | 0.208 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 137.2 | 175.1 | 30.7 | -35.4 | 0 | 0 | 0 | 111.4 | W520 M521 V753 V754 | P518-W520 VanDerWaalsContact C-N 3.25Å; P518-W520 PolarHBondContact O-N 3.49Å; P518-W520 VanDerWaalsContact O-N 3.14Å; P518-M521 HydrophobicContact CG-CG 4Å; P518-M521 HydrophobicContact CG-SD 3.67Å; P518-M521 WeakPolarHBondContact O-CB 3.47Å; P518-M521 PolarHBondContact O-N 2.91Å; P518-V753 WeakPolarHBondContact CA-O 3.48Å; P518-V754 HydrophobicContact CB-CG2 4.48Å |
| 519 | V | 70.9 | Confident | 57.8 | Low | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.085 | 38% | 0.38 | C | S | . | . | G | 310 helix | trans | -57.5 | -32.4 | -168.9 | 164.2 | 0 | 0 | 0 | 0 | 113.7 | M521 L522 L523 D751 V753 I755 | V519-M521 PolarHBondContact O-N 3.48Å; V519-M521 VanDerWaalsContact O-N 3.17Å; V519-L522 WeakPolarHBondContact O-CA 3.38Å; V519-L522 WeakPolarHBondContact O-CB 3.42Å; V519-L522 PolarHBondContact O-N 2.9Å; V519-L523 HydrophobicContact CG1-CD1 3.53Å; V519-L523 HydrophobicContact CG1-CG 3.79Å; V519-L523 PolarHBondContact O-N 3.36Å; V519-D751 CarbonylContact C-O 3.59Å; V519-D751 PolarHBondContact N-O 3.2Å; V519-V753 HydrophobicContact CG2-CB 4.42Å; V519-V753 VanDerWaalsContact CG2-O 3.31Å; V519-V753 WeakPolarHBondContact CG2-O 3.37Å; V519-V753 PolarHBondContact N-O 3.42Å; V519-I755 HydrophobicContact CG2-CB 4.29Å; V519-I755 HydrophobicContact CG2-CD1 3.34Å; V519-I755 HydrophobicContact CG2-CG1 3.6Å |
| 520 | W | 68.6 | Low | 56.8 | Low | 64 Ų | 64 | 74.2 Ų | 74.2 | 24% | 0.242 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -58.6 | -26.1 | 175.8 | 72.9 | -96.9 | 0 | 0 | 0 | 114 | F445 P518 L522 L523 L524 A741 P742 L747 D751 | F445-W520 HydrophobicContact CD2-CH2 4.24Å; F445-W520 HydrophobicContact CD2-CZ3 4.28Å; F445-W520 AromaticContact CE2-CH2 3.98Å; F445-W520 HydrophobicContact CE2-CH2 3.98Å; F445-W520 AromaticContact CE2-CZ3 3.6Å; F445-W520 HydrophobicContact CE2-CZ3 3.6Å; F445-W520 HydrophobicContact CZ-CZ3 4.32Å; P518-W520 VanDerWaalsContact C-N 3.25Å; P518-W520 PolarHBondContact O-N 3.49Å; P518-W520 VanDerWaalsContact O-N 3.14Å; W520-L522 PolarHBondContact O-N 3.22Å; W520-L523 CarbonylContact O-C 3.55Å; W520-L523 PolarHBondContact O-N 3.15Å; W520-L524 PolarHBondContact O-N 2.82Å; W520-A741 HydrophobicContact CZ3-CB 4.14Å; W520-P742 HydrophobicContact CB-CG 4.38Å; W520-P742 HydrophobicContact CE3-CG 4.15Å; W520-L747 HydrophobicContact CB-CD2 3.68Å; W520-L747 HydrophobicContact CB-CG 4Å; W520-L747 VanDerWaalsContact CD1-CD2 3.5Å; W520-L747 HydrophobicContact CD2-CD2 4.31Å; W520-L747 HydrophobicContact CG-CD2 3.56Å; W520-L747 HydrophobicContact CG-CG 4.38Å; W520-D751 HydrophobicContact CB-CB 4.28Å; W520-D751 PolarHBondContact N-O 2.92Å |
| 521 | M | 67.9 | Low | 55.9 | Low | 28 Ų | 28 | 73.2 Ų | 73.2 | 14% | 0.138 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -73 | -11.2 | 173.1 | -63.6 | 177.8 | 83.2 | 0 | 0 | 113.1 | F445 I448 I517 P518 V519 L524 | F445-M521 HydrophobicContact CB-CE 4.11Å; F445-M521 HydrophobicContact CD2-CE 3.84Å; F445-M521 HydrophobicContact CG-CE 4.48Å; I448-M521 HydrophobicContact CD1-CE 3.79Å; I517-M521 HydrophobicContact CG2-CB 4.07Å; I517-M521 HydrophobicContact CG2-SD 4.26Å; P518-M521 HydrophobicContact CG-CG 4Å; P518-M521 HydrophobicContact CG-SD 3.67Å; P518-M521 WeakPolarHBondContact O-CB 3.47Å; P518-M521 PolarHBondContact O-N 2.91Å; V519-M521 PolarHBondContact O-N 3.48Å; V519-M521 VanDerWaalsContact O-N 3.17Å; M521-L524 WeakPolarHBondContact O-CG 3.3Å |
| 522 | L | 66.2 | Low | 55 | Low | 16 Ų | 16 | 76.3 Ų | 76.3 | 8% | 0.084 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -38.7 | 170.7 | -51.2 | 177.3 | 0 | 0 | 0 | 110.6 | R452 F506 V519 W520 L524 A760 V764 | R452-L522 PolarHBondContact NH2-O 3.48Å; F506-L522 HydrophobicContact CD2-CD2 4.45Å; F506-L522 HydrophobicContact CE2-CD2 3.48Å; F506-L522 VanDerWaalsContact CE2-CD2 3.48Å; F506-L522 HydrophobicContact CZ-CD2 3.57Å; V519-L522 WeakPolarHBondContact O-CA 3.38Å; V519-L522 WeakPolarHBondContact O-CB 3.42Å; V519-L522 PolarHBondContact O-N 2.9Å; W520-L522 PolarHBondContact O-N 3.22Å; L522-L524 PolarHBondContact O-N 3.5Å; L522-A760 HydrophobicContact CD1-CB 3.77Å; L522-A760 HydrophobicContact CD2-CB 4.16Å; L522-V764 HydrophobicContact CD2-CG2 4.34Å |
| 523 | L | 59.2 | Low | 53.8 | Low | 81 Ų | 81 | 80.3 Ų | 80.3 | 42% | 0.424 | 41% | 0.414 | S | S | . | . | trans | -76.7 | 36.7 | 171.7 | -57.4 | 179.2 | 0 | 0 | 0 | 113 | V519 W520 S525 D751 | V519-L523 HydrophobicContact CG1-CD1 3.53Å; V519-L523 HydrophobicContact CG1-CG 3.79Å; V519-L523 PolarHBondContact O-N 3.36Å; W520-L523 CarbonylContact O-C 3.55Å; W520-L523 PolarHBondContact O-N 3.15Å; L523-S525 PolarHBondContact O-N 2.97Å; L523-D751 HydrophobicContact CD1-CB 4.28Å; L523-D751 WeakPolarHBondContact CD1-OD1 3.36Å | ||
| 524 | L | 58.6 | Low | 52.9 | Low | 1 Ų | 1 | 84.2 Ų | 84.2 | 1% | 0.005 | 43% | 0.426 | C | S | . | . | trans | -65.1 | 81.7 | 162.8 | -74.4 | -171.1 | 0 | 0 | 0 | 109.2 | F445 I448 R452 W520 M521 L522 I739 | F445-L524 HydrophobicContact CE2-CD2 4.06Å; F445-L524 HydrophobicContact CZ-CD2 4.36Å; I448-L524 HydrophobicContact CG2-CD1 3.77Å; R452-L524 HydrophobicContact CB-CD1 4.34Å; R452-L524 HydrophobicContact CG-CB 3.9Å; R452-L524 HydrophobicContact CG-CD1 4.43Å; W520-L524 PolarHBondContact O-N 2.82Å; M521-L524 WeakPolarHBondContact O-CG 3.3Å; L522-L524 PolarHBondContact O-N 3.5Å; L524-I739 HydrophobicContact CB-CD1 4.27Å; L524-I739 HydrophobicContact CB-CG2 3.71Å; L524-I739 HydrophobicContact CD1-CG2 4.27Å; L524-I739 HydrophobicContact CD2-CG2 3.75Å; L524-I739 HydrophobicContact CG-CG2 4.09Å | ||
| 525 | S | 51.1 | Low | 52.1 | Low | 74 Ų | 74 | 82.2 Ų | 82.2 | 52% | 0.517 | 41% | 0.414 | S | S | . | . | trans | -87.1 | 135.5 | -176.4 | 54.8 | 0 | 0 | 0 | 0 | 110.7 | L523 K527 | L523-S525 PolarHBondContact O-N 2.97Å; S525-K527 PolarHBondContact O-N 3.28Å | ||
| 526 | T | 46.1 | Very low | 51 | Low | 62 Ų | 62 | 82.2 Ų | 82.2 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | trans | -78.3 | 95.8 | 165.8 | 44.9 | 0 | 0 | 0 | 0 | 108 | N456 Y528 I737 I739 | N456-T526 HydrophobicContact CB-CG2 4.09Å; N456-T526 WeakPolarHBondContact ND2-CG2 3.18Å; T526-Y528 PolarHBondContact O-N 3.3Å; T526-I737 HydrophobicContact CG2-CG2 4.08Å; T526-I739 HydrophobicContact CG2-CG1 4.07Å | ||
| 527 | K | 42.5 | Very low | 49.6 | Very low | 121 Ų | 121 | 87.6 Ų | 87.6 | 53% | 0.526 | 44% | 0.437 | S | S | . | . | trans | -60.9 | 119.9 | 161.1 | -86.5 | -174.1 | 165.6 | -176.6 | 0 | 108 | S525 E746 | S525-K527 PolarHBondContact O-N 3.28Å; K527-E746 VanDerWaalsContact CE-OE2 3.24Å; K527-E746 WeakPolarHBondContact CE-OE2 3.43Å; K527-E746 IonicContact NZ-OE1 3.76Å; K527-E746 PolarHBondContact NZ-OE1 2.73Å; K527-E746 IonicContact NZ-OE2 2.73Å; K527-E746 PolarHBondContact NZ-OE2 3.47Å | ||
| 528 | Y | 38.1 | Very low | 47.9 | Very low | 120 Ų | 120 | 91.3 Ų | 91.3 | 47% | 0.471 | 46% | 0.457 | S | S | . | . | trans | -100.9 | 90.8 | 172.5 | -173.9 | -113.7 | 0 | 0 | 0 | 107.6 | T526 E530 V736 | T526-Y528 PolarHBondContact O-N 3.3Å; Y528-E530 HydrophobicContact CD1-CB 4.08Å; Y528-E530 HydrophobicContact CE1-CB 3.61Å; Y528-E530 HydrophobicContact CE1-CG 3.9Å; Y528-E530 WeakPolarHBondContact CE1-OE1 3.24Å; Y528-E530 WeakPolarHBondContact CE1-OE2 3.24Å; Y528-E530 PolarHBondContact O-N 3.43Å; Y528-E530 VanDerWaalsContact OH-CD 3.31Å; Y528-E530 PolarHBondContact OH-OE1 3.46Å; Y528-V736 HydrophobicContact CD2-CG1 3.84Å; Y528-V736 HydrophobicContact CD2-CG2 4.38Å; Y528-V736 HydrophobicContact CE2-CG1 3.98Å; Y528-V736 HydrophobicContact CE2-CG2 4.03Å | ||
| 529 | E | 39 | Very low | 46.3 | Very low | 158 Ų | 158 | 96 Ų | 96 | 74% | 0.738 | 48% | 0.48 | S | S | * | . | trans | -86.7 | 96 | 163.3 | -76 | 176.2 | -169.2 | 0 | 0 | 106.7 | E531 | E529-E531 PolarHBondContact O-N 2.83Š| ||
| 530 | E | 42.4 | Very low | 44.6 | Very low | 122 Ų | 122 | 101.2 Ų | 101.2 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | trans | -70.7 | 87 | 164.4 | -160.4 | 154.4 | -128.9 | 0 | 0 | 106.1 | Y528 E532 | Y528-E530 HydrophobicContact CD1-CB 4.08Å; Y528-E530 HydrophobicContact CE1-CB 3.61Å; Y528-E530 HydrophobicContact CE1-CG 3.9Å; Y528-E530 WeakPolarHBondContact CE1-OE1 3.24Å; Y528-E530 WeakPolarHBondContact CE1-OE2 3.24Å; Y528-E530 PolarHBondContact O-N 3.43Å; Y528-E530 VanDerWaalsContact OH-CD 3.31Å; Y528-E530 PolarHBondContact OH-OE1 3.46Å; E530-E532 PolarHBondContact O-N 3.06Å | ||
| 531 | E | 36.3 | Very low | 42.9 | Very low | 177 Ų | 177 | 102.6 Ų | 102.6 | 83% | 0.827 | 52% | 0.524 | S | S | * | . | trans | -58.2 | 107.1 | 162.8 | -76.6 | -170.9 | 133.3 | 0 | 0 | 106.4 | E529 D533 | E529-E531 PolarHBondContact O-N 2.83Å; E531-D533 PolarHBondContact O-N 3.25Å | ||
| 532 | E | 36.2 | Very low | 41.2 | Very low | 161 Ų | 161 | 110.3 Ų | 110.3 | 75% | 0.752 | 56% | 0.557 | S | S | * | * | trans | -71.2 | 62.9 | -177.7 | -69.1 | -175.4 | 142.3 | 0 | 0 | 110.9 | E530 E534 | E530-E532 PolarHBondContact O-N 3.06Å; E532-E534 PolarHBondContact O-N 2.66Å | ||
| 533 | D | 33.3 | Very low | 39.8 | Very low | 110 Ų | 110 | 117 Ų | 117 | 59% | 0.588 | 59% | 0.591 | S | S | * | * | trans | -74.5 | 64.7 | 167.8 | -135.4 | -16 | 0 | 0 | 0 | 108.4 | E531 S535 M536 | E531-D533 PolarHBondContact O-N 3.25Å; D533-S535 PolarHBondContact O-N 3.17Å; D533-S535 PolarHBondContact OD1-OG 3.37Å; D533-M536 PolarHBondContact O-N 3.08Å; D533-M536 VanDerWaalsContact O-N 3.07Å | ||
| 534 | E | 35.6 | Very low | 38.5 | Very low | 147 Ų | 147 | 121 Ų | 121 | 69% | 0.687 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -52.6 | -17.5 | 175.2 | -65.4 | -166.1 | 119 | 0 | 0 | 111.9 | E532 M536 I537 | E532-E534 PolarHBondContact O-N 2.66Å; E534-M536 PolarHBondContact O-N 2.97Å; E534-I537 HydrophobicContact CB-CD1 4.39Å |
| 535 | S | 39.7 | Very low | 37.3 | Very low | 89 Ų | 89 | 129.8 Ų | 129.8 | 62% | 0.622 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -58.8 | -17.4 | 173.5 | 76.3 | 0 | 0 | 0 | 0 | 115.1 | D533 | D533-S535 PolarHBondContact O-N 3.17Å; D533-S535 PolarHBondContact OD1-OG 3.37Å |
| 536 | M | 33.5 | Very low | 36.4 | Very low | 135 Ų | 135 | 132 Ų | 132 | 67% | 0.665 | 66% | 0.659 | S | S | * | * | G | 310 helix | trans | -123.3 | 32.4 | -178.9 | -62.7 | -155.3 | -175.8 | 0 | 0 | 115.1 | D533 E534 I538 | D533-M536 PolarHBondContact O-N 3.08Å; D533-M536 VanDerWaalsContact O-N 3.07Å; E534-M536 PolarHBondContact O-N 2.97Å; M536-I538 PolarHBondContact O-N 2.9Å |
| 537 | I | 35.5 | Very low | 35.7 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 62% | 0.621 | 68% | 0.68 | S | S | * | * | trans | -73.8 | 103.4 | 166.9 | -60 | 172.8 | 0 | 0 | 0 | 109.5 | E534 D539 | E534-I537 HydrophobicContact CB-CD1 4.39Å; I537-D539 PolarHBondContact O-N 2.86Å | ||
| 538 | I | 36.4 | Very low | 35.2 | Very low | 85 Ų | 85 | 135.1 Ų | 135.1 | 44% | 0.436 | 68% | 0.684 | S | S | . | * | trans | -80.6 | 97.8 | 169.8 | -49.1 | 176.9 | 0 | 0 | 0 | 108.6 | M536 L540 R725 | M536-I538 PolarHBondContact O-N 2.9Å; I538-L540 PolarHBondContact O-N 2.86Å; I538-R725 HydrophobicContact CD1-CG 4.3Å; I538-R725 VanDerWaalsContact CG2-NH2 3.29Å | ||
| 539 | D | 34.6 | Very low | 35 | Very low | 131 Ų | 131 | 138.9 Ų | 138.9 | 70% | 0.701 | 70% | 0.703 | S | S | * | * | trans | -46.2 | 125.5 | 175.6 | -100.3 | -38.2 | 0 | 0 | 0 | 112.1 | I537 | I537-D539 PolarHBondContact O-N 2.86Š| ||
| 540 | L | 36.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 140.5 Ų | 140.5 | 64% | 0.644 | 71% | 0.71 | S | S | * | * | trans | -76.5 | 131.1 | 165.1 | -103.7 | 70.6 | 0 | 0 | 0 | 108.7 | I538 K542 | I538-L540 PolarHBondContact O-N 2.86Å; L540-K542 PolarHBondContact O-N 3.45Å; L540-K542 VanDerWaalsContact O-N 3.08Å | ||
| 541 | P | 32.7 | Very low | 34.3 | Very low | 93 Ų | 93 | 144.4 Ų | 144.4 | 60% | 0.604 | 73% | 0.725 | S | S | * | * | trans | -66.2 | 113.4 | -174.7 | 25.8 | -34 | 0 | 0 | 0 | 111.3 | I543 | P541-I543 PolarHBondContact O-N 3.5Å; P541-I543 VanDerWaalsContact O-N 3.15Å | ||
| 542 | K | 33 | Very low | 34.4 | Very low | 190 Ų | 190 | 142.4 Ų | 142.4 | 83% | 0.826 | 73% | 0.725 | S | S | * | * | trans | -66.6 | 108.6 | 168.9 | -68.4 | 169.8 | -176.2 | 160.9 | 0 | 108.7 | L540 E544 | L540-K542 PolarHBondContact O-N 3.45Å; L540-K542 VanDerWaalsContact O-N 3.08Å; K542-E544 PolarHBondContact O-N 3.4Å | ||
| 543 | I | 35.7 | Very low | 34.2 | Very low | 156 Ų | 156 | 141.8 Ų | 141.8 | 80% | 0.8 | 73% | 0.732 | S | S | * | * | trans | -77.9 | 107.3 | 173.7 | -59 | 177.3 | 0 | 0 | 0 | 107.9 | P541 | P541-I543 PolarHBondContact O-N 3.5Å; P541-I543 VanDerWaalsContact O-N 3.15Å | ||
| 544 | E | 32.4 | Very low | 34.3 | Very low | 164 Ų | 164 | 140.1 Ų | 140.1 | 77% | 0.766 | 74% | 0.741 | S | S | * | * | trans | -74.4 | 126 | 173.8 | -62.9 | -171.1 | 144.8 | 0 | 0 | 110.8 | K542 T546 | K542-E544 PolarHBondContact O-N 3.4Å; E544-T546 VanDerWaalsContact C-N 3.34Å; E544-T546 PolarHBondContact O-N 2.91Å | ||
| 545 | E | 32.4 | Very low | 34.2 | Very low | 187 Ų | 187 | 137.1 Ų | 137.1 | 87% | 0.874 | 74% | 0.741 | S | S | * | * | trans | -75.1 | 80.2 | 177.4 | -68.3 | -165.9 | 146.3 | 0 | 0 | 111.9 | N547 | E545-N547 VanDerWaalsContact C-N 3.33Å; E545-N547 PolarHBondContact O-N 3.15Å | ||
| 546 | T | 33 | Very low | 33.9 | Very low | 119 Ų | 119 | 141.5 Ų | 141.5 | 73% | 0.73 | 75% | 0.752 | S | S | * | * | trans | -71.2 | 85.4 | 173.3 | 59.4 | 0 | 0 | 0 | 0 | 111.2 | E544 P548 | E544-T546 VanDerWaalsContact C-N 3.34Å; E544-T546 PolarHBondContact O-N 2.91Å; T546-P548 VanDerWaalsContact O-CD 3.24Å; T546-P548 WeakPolarHBondContact O-CD 3.4Å | ||
| 547 | N | 30.8 | Very low | 34 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -76.9 | 113.9 | -173.5 | -169.4 | -6.7 | 0 | 0 | 0 | 113 | E545 | E545-N547 VanDerWaalsContact C-N 3.33Å; E545-N547 PolarHBondContact O-N 3.15Å | ||
| 548 | P | 32.1 | Very low | 33.8 | Very low | 94 Ų | 94 | 142 Ų | 142 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | trans | -116.3 | 124.2 | -170.1 | 33.9 | -17.5 | 0 | 0 | 0 | 115 | T546 | T546-P548 VanDerWaalsContact O-CD 3.24Å; T546-P548 WeakPolarHBondContact O-CD 3.4Å | ||
| 549 | K | 34.1 | Very low | 33.8 | Very low | 198 Ų | 198 | 143.9 Ų | 143.9 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | 82.6 | 92.3 | 159.7 | -50.2 | 158.3 | -175.1 | 168.3 | 0 | 117.8 | ||||
| 550 | E | 34.4 | Very low | 33.8 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 90% | 0.897 | 78% | 0.777 | S | S | * | * | -109.9 | 125.2 | 121.5 | -81.8 | -159.5 | 131.6 | 0 | 0 | 109.7 | |||||
| 551 | K | 33 | Very low | 33.9 | Very low | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 78% | 0.779 | S | S | * | * | trans | -129.2 | 102.1 | 166.9 | -96 | -169.7 | 175.3 | -178.6 | 0 | 107.8 | ||||
| 552 | V | 37.9 | Very low | 33.9 | Very low | 136 Ų | 136 | 144.8 Ų | 144.8 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | -124 | 128.9 | 165.1 | -177.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 553 | V | 32.7 | Very low | 34.1 | Very low | 148 Ų | 148 | 142.1 Ų | 142.1 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -91.4 | 131 | -174.4 | 177.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 554 | G | 35.4 | Very low | 34.2 | Very low | 75 Ų | 75 | 142.2 Ų | 142.2 | 77% | 0.773 | 77% | 0.768 | S | S | * | * | trans | -156.3 | 97.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 555 | A | 33.6 | Very low | 34.3 | Very low | 83 Ų | 83 | 138.2 Ų | 138.2 | 69% | 0.686 | 76% | 0.758 | S | S | * | * | trans | -54.1 | 149.2 | -167.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 556 | E | 32.1 | Very low | 34.5 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | 51.1 | 113.2 | 135.6 | -64.6 | 169.5 | -164 | 0 | 0 | 120.3 | ||||
| 557 | S | 36.2 | Very low | 34.6 | Very low | 119 Ų | 119 | 138.7 Ų | 138.7 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | -173.9 | 157.7 | 102.1 | 28.2 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 558 | N | 31.5 | Very low | 34.9 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | -71.2 | 166 | 172.2 | -51.2 | -30.1 | 0 | 0 | 0 | 109.6 | ||||
| 559 | D | 35.4 | Very low | 35.1 | Very low | 124 Ų | 124 | 135.1 Ų | 135.1 | 66% | 0.663 | 76% | 0.756 | S | S | * | * | -179 | 147.3 | 63.8 | -112.5 | -23.3 | 0 | 0 | 0 | 110.6 | |||||
| 560 | N | 34.1 | Very low | 35.2 | Very low | 126 Ų | 126 | 135.2 Ų | 135.2 | 67% | 0.674 | 76% | 0.756 | S | S | * | * | trans | 60.8 | 150.5 | 138.7 | -66.2 | -37.8 | 0 | 0 | 0 | 120.4 | ||||
| 561 | L | 39.3 | Very low | 35 | Very low | 130 Ų | 130 | 131.8 Ų | 131.8 | 68% | 0.681 | 75% | 0.753 | S | S | * | * | cis | -168.1 | 138.8 | 5.6 | -120.5 | 169.5 | 0 | 0 | 0 | 108.5 | ||||
| 562 | T | 32.2 | Very low | 35.3 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 68% | 0.681 | 75% | 0.75 | S | S | * | * | trans | 53.1 | 159.9 | 144.1 | 49.1 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 563 | E | 37.4 | Very low | 35 | Very low | 133 Ų | 133 | 132.7 Ų | 132.7 | 62% | 0.621 | 75% | 0.753 | S | S | * | * | cis | -163.8 | 159.1 | 12.2 | -131.9 | 173.6 | 179.4 | 0 | 0 | 112.3 | ||||
| 564 | K | 37.9 | Very low | 34.9 | Very low | 159 Ų | 159 | 130 Ų | 130 | 69% | 0.691 | 75% | 0.747 | S | S | * | * | trans | 63.4 | 150.3 | 148.2 | -76.6 | 155.2 | -170.3 | 159.3 | 0 | 121.1 | ||||
| 565 | S | 34.7 | Very low | 34.8 | Very low | 80 Ų | 80 | 131.6 Ų | 131.6 | 56% | 0.559 | 74% | 0.741 | S | S | * | * | cis | -169.1 | 176.4 | -20.8 | 47.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 566 | D | 37 | Very low | 34.9 | Very low | 129 Ų | 129 | 136.1 Ų | 136.1 | 69% | 0.69 | 75% | 0.745 | S | S | * | * | trans | 75.2 | 105.4 | 158.2 | -43.7 | -44.3 | 0 | 0 | 0 | 116.6 | ||||
| 567 | E | 34.7 | Very low | 34.9 | Very low | 186 Ų | 186 | 133.3 Ų | 133.3 | 87% | 0.869 | 74% | 0.74 | S | S | * | * | 74.7 | 129.1 | 75.8 | -74.9 | -159.3 | 154.9 | 0 | 0 | 113.9 | |||||
| 568 | A | 37 | Very low | 34.9 | Very low | 92 Ų | 92 | 133.7 Ų | 133.7 | 76% | 0.76 | 73% | 0.733 | S | S | * | * | cis | -162.1 | -167.7 | -7.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 569 | A | 36 | Very low | 35 | Very low | 83 Ų | 83 | 134.5 Ų | 134.5 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | cis | -165 | 177.3 | 10.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 570 | K | 36.2 | Very low | 35 | Very low | 201 Ų | 201 | 136.3 Ų | 136.3 | 87% | 0.874 | 74% | 0.736 | S | S | * | * | trans | 65 | 77.8 | 150.8 | -70.5 | 176.4 | -178.9 | 173.5 | 0 | 120.8 | ||||
| 571 | S | 30.7 | Very low | 35 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 74% | 0.736 | S | S | * | * | -1.8 | 156.2 | 124.9 | -106.5 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 572 | P | 38.8 | Very low | 34.9 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | -93 | -173.8 | -173.3 | 41 | -39.2 | 0 | 0 | 0 | 114.7 | ||||
| 573 | R | 31.4 | Very low | 35.2 | Very low | 232 Ų | 232 | 138.2 Ų | 138.2 | 88% | 0.875 | 74% | 0.74 | S | S | * | * | trans | -146.2 | 127.2 | 169.6 | -174.1 | 174.9 | -177.1 | 167.2 | 1.5 | 112.7 | ||||
| 574 | A | 30.4 | Very low | 35.2 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -106.3 | 155.8 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 575 | T | 34.8 | Very low | 35.1 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 66% | 0.656 | 75% | 0.752 | S | S | * | * | trans | -168.3 | 125.8 | 154.6 | 20.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 576 | K | 35.5 | Very low | 35.2 | Very low | 179 Ų | 179 | 140 Ų | 140 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | trans | 58.2 | 130.1 | 136.3 | -61.4 | -176.3 | 176.7 | -163.7 | 0 | 120.2 | ||||
| 577 | V | 31.3 | Very low | 35.3 | Very low | 123 Ų | 123 | 141.8 Ų | 141.8 | 75% | 0.745 | 76% | 0.759 | S | S | * | * | cis | 92.6 | 142.6 | 41.8 | 169.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 578 | D | 35.9 | Very low | 35.3 | Very low | 127 Ų | 127 | 139.7 Ų | 139.7 | 68% | 0.679 | 75% | 0.749 | S | S | * | * | trans | 102.4 | 120.6 | 171.1 | -54.3 | -42.4 | 0 | 0 | 0 | 119.6 | ||||
| 579 | E | 35.5 | Very low | 35.4 | Very low | 163 Ų | 163 | 141 Ų | 141 | 76% | 0.762 | 75% | 0.748 | S | S | * | * | trans | 58.5 | 112.5 | 138.3 | -64.2 | 171.3 | 175.3 | 0 | 0 | 121.1 | ||||
| 580 | E | 33.7 | Very low | 35.4 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | 70.8 | 122.1 | 88.6 | -71.1 | -167.4 | 170.2 | 0 | 0 | 116.7 | |||||
| 581 | N | 34.2 | Very low | 35.3 | Very low | 126 Ų | 126 | 139 Ų | 139 | 67% | 0.674 | 74% | 0.739 | S | S | * | * | 162.5 | 122.3 | 114.5 | -86.8 | -69.4 | 0 | 0 | 0 | 117.2 | |||||
| 582 | I | 37.4 | Very low | 35.4 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 69% | 0.692 | 74% | 0.738 | S | S | * | * | trans | 47 | 133.3 | 135.5 | -27.4 | 156.6 | 0 | 0 | 0 | 122.6 | ||||
| 583 | I | 38.1 | Very low | 35.1 | Very low | 147 Ų | 147 | 141 Ų | 141 | 75% | 0.754 | 74% | 0.737 | S | S | * | * | 158.4 | 116 | 119.1 | -74.9 | 173 | 0 | 0 | 0 | 114.6 | |||||
| 584 | D | 37.3 | Very low | 35.1 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 69% | 0.69 | 73% | 0.726 | S | S | * | * | trans | -26 | 141.4 | 164.7 | -36.7 | -43.8 | 0 | 0 | 0 | 122.2 | ||||
| 585 | K | 36.1 | Very low | 35.4 | Very low | 197 Ų | 197 | 136.7 Ų | 136.7 | 86% | 0.857 | 73% | 0.726 | S | S | * | * | 164.9 | 151.6 | 112.8 | -86 | 151.2 | -169.2 | 165.1 | 0 | 111.1 | |||||
| 586 | A | 38 | Very low | 35.3 | Very low | 82 Ų | 82 | 141.5 Ų | 141.5 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | cis | 144.5 | 147.1 | -19.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 587 | K | 37.7 | Very low | 35.2 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 73% | 0.73 | 73% | 0.727 | S | S | * | * | trans | 81.8 | 148.4 | 178.1 | -56.9 | 168.7 | 148.9 | -73.8 | 0 | 115.8 | ||||
| 588 | E | 36.4 | Very low | 35.4 | Very low | 141 Ų | 141 | 138.7 Ų | 138.7 | 66% | 0.659 | 73% | 0.725 | S | S | * | * | cis | -158.4 | 139.8 | -12.4 | -116.9 | 149.4 | -175.5 | 0 | 0 | 111.6 | ||||
| 589 | V | 38.9 | Very low | 35.4 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | 41.9 | 111.4 | 130.2 | 178.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 590 | N | 35.4 | Very low | 35.4 | Very low | 138 Ų | 138 | 137 Ų | 137 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | 175.8 | 175.5 | 73.3 | -136.6 | 12.2 | 0 | 0 | 0 | 109.8 | |||||
| 591 | T | 34.3 | Very low | 35.6 | Very low | 104 Ų | 104 | 136.6 Ų | 136.6 | 64% | 0.638 | 73% | 0.732 | S | S | * | * | cis | -157.1 | -175.5 | 1.3 | -19.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 592 | L | 33 | Very low | 35.8 | Very low | 157 Ų | 157 | 138 Ų | 138 | 82% | 0.822 | 74% | 0.738 | S | S | * | * | trans | -45 | 169.4 | 162 | -58.4 | 161.4 | 0 | 0 | 0 | 117.2 | ||||
| 593 | T | 33 | Very low | 35.8 | Very low | 131 Ų | 131 | 140 Ų | 140 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | cis | -138.8 | 175.8 | 24.5 | 50.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 594 | S | 30.7 | Very low | 35.7 | Very low | 92 Ų | 92 | 137 Ų | 137 | 64% | 0.643 | 74% | 0.741 | S | S | * | * | trans | -98.5 | -163.2 | 171.2 | 54.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 595 | D | 35.4 | Very low | 35.7 | Very low | 142 Ų | 142 | 135.1 Ų | 135.1 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 108.4 | 127.2 | 158 | -50.5 | -13.3 | 0 | 0 | 0 | 114 | ||||
| 596 | R | 33.7 | Very low | 35.7 | Very low | 208 Ų | 208 | 130.8 Ų | 130.8 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | cis | 101.4 | 108 | 9.3 | -159.8 | 178.4 | -173.1 | 127.5 | 18.2 | 116.2 | ||||
| 597 | E | 33.9 | Very low | 35.8 | Very low | 144 Ų | 144 | 131.1 Ų | 131.1 | 67% | 0.673 | 74% | 0.736 | S | S | * | * | trans | 78.2 | 129.5 | 154.6 | -72.9 | 160 | -151.6 | 0 | 0 | 121.6 | ||||
| 598 | S | 34.2 | Very low | 35.9 | Very low | 100 Ų | 100 | 129.8 Ų | 129.8 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | trans | 69.5 | 118.4 | 147.2 | 56.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 599 | D | 36.4 | Very low | 36 | Very low | 152 Ų | 152 | 130 Ų | 130 | 81% | 0.813 | 74% | 0.742 | S | S | * | * | 74 | 149.6 | 124.3 | -57.6 | -5.8 | 0 | 0 | 0 | 125 | |||||
| 600 | S | 35.5 | Very low | 35.8 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 74% | 0.743 | S | S | * | * | trans | 80.7 | 89.8 | 162.4 | 62.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 601 | D | 38.2 | Very low | 35.9 | Very low | 155 Ų | 155 | 129.7 Ų | 129.7 | 83% | 0.829 | 74% | 0.74 | S | S | * | * | 57.8 | 162.3 | 116 | -54.5 | -20.6 | 0 | 0 | 0 | 124.2 | |||||
| 602 | I | 38.2 | Very low | 35.9 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 80% | 0.8 | 74% | 0.743 | S | S | * | * | trans | 94.1 | 89.5 | 160.1 | -50.4 | -173.1 | 0 | 0 | 0 | 118 | ||||
| 603 | E | 37.1 | Very low | 36.1 | Very low | 176 Ų | 176 | 129.9 Ų | 129.9 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | 60.4 | 125 | 126.9 | -67 | -77 | 133.8 | 0 | 0 | 123 | |||||
| 604 | A | 36.3 | Very low | 36.2 | Very low | 84 Ų | 84 | 129.9 Ų | 129.9 | 69% | 0.694 | 73% | 0.734 | S | S | * | * | 84.2 | 111.1 | 126.3 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 605 | A | 36.5 | Very low | 36.5 | Very low | 89 Ų | 89 | 134.9 Ų | 134.9 | 74% | 0.736 | 75% | 0.747 | S | S | * | * | 95.9 | 122.2 | 118.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 606 | S | 38.1 | Very low | 36.6 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 74% | 0.741 | 75% | 0.752 | S | S | * | * | trans | 82.9 | 122.9 | 132.4 | 60 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 607 | S | 39.3 | Very low | 36.7 | Very low | 90 Ų | 90 | 132.7 Ų | 132.7 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | 77.7 | 107 | 129.7 | 64.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 608 | D | 39.2 | Very low | 36.8 | Very low | 140 Ų | 140 | 132.4 Ų | 132.4 | 75% | 0.749 | 75% | 0.753 | S | S | * | * | 82.7 | 132.7 | 113.6 | -56.3 | -8.7 | 0 | 0 | 0 | 123 | |||||
| 609 | N | 38.1 | Very low | 37 | Very low | 145 Ų | 145 | 136 Ų | 136 | 78% | 0.775 | 76% | 0.759 | S | S | * | * | trans | 87.4 | 103.9 | 142.1 | -65 | -14.5 | 0 | 0 | 0 | 123.2 | ||||
| 610 | D | 36.5 | Very low | 37 | Very low | 139 Ų | 139 | 136.5 Ų | 136.5 | 74% | 0.743 | 76% | 0.756 | S | S | * | * | 84.9 | 96.8 | 104.3 | -137.2 | 47 | 0 | 0 | 0 | 121.9 | |||||
| 611 | V | 35.6 | Very low | 37 | Very low | 113 Ų | 113 | 136.6 Ų | 136.6 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | 78.3 | 153 | 120.7 | 164.8 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 612 | T | 34.7 | Very low | 36.8 | Very low | 113 Ų | 113 | 134.1 Ų | 134.1 | 69% | 0.693 | 75% | 0.752 | S | S | * | * | trans | 85.7 | 93.6 | 163.2 | 30 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 613 | M | 36.7 | Very low | 36.7 | Very low | 152 Ų | 152 | 136 Ų | 136 | 75% | 0.749 | 76% | 0.757 | S | S | * | * | 79 | 141.2 | 109.8 | -75 | 179.7 | 81.5 | 0 | 0 | 125 | |||||
| 614 | D | 36.3 | Very low | 36.4 | Very low | 130 Ų | 130 | 136.9 Ų | 136.9 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | 64 | 122.9 | 149.2 | -51.3 | -11.9 | 0 | 0 | 0 | 124 | ||||
| 615 | E | 37.3 | Very low | 36.5 | Very low | 197 Ų | 197 | 138.6 Ų | 138.6 | 92% | 0.921 | 76% | 0.762 | S | S | * | * | -167.6 | 176 | 102.5 | -101.4 | -177 | 175 | 0 | 0 | 111.6 | |||||
| 616 | E | 36.3 | Very low | 36.4 | Very low | 182 Ų | 182 | 140.3 Ų | 140.3 | 85% | 0.85 | 76% | 0.763 | S | S | * | * | trans | -113.7 | -158.7 | -153.6 | -53.1 | -180 | 116.3 | 0 | 0 | 116.4 | ||||
| 617 | T | 36.2 | Very low | 36.2 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | trans | 88.6 | 145.2 | 168.1 | 73.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 618 | D | 35.7 | Very low | 36 | Very low | 138 Ų | 138 | 144.3 Ų | 144.3 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -166.6 | 147.9 | -24.8 | -98.1 | -24.8 | 0 | 0 | 0 | 112.2 | ||||
| 619 | E | 38.5 | Very low | 35.6 | Very low | 175 Ų | 175 | 141.4 Ų | 141.4 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 41.8 | 170 | 151.5 | -49.6 | -161.5 | 129.8 | 0 | 0 | 121.9 | ||||
| 620 | E | 37.4 | Very low | 35.4 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 76% | 0.757 | 78% | 0.777 | S | S | * | * | cis | -157.7 | 159.8 | 9.8 | -153.7 | -169.8 | 173.5 | 0 | 0 | 113.3 | ||||
| 621 | S | 35.2 | Very low | 34.9 | Very low | 103 Ų | 103 | 140.9 Ų | 140.9 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | 77.2 | 161.6 | 150.8 | 80.3 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 622 | S | 34.5 | Very low | 34.8 | Very low | 103 Ų | 103 | 142 Ų | 142 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | -177.2 | 148.4 | -61.8 | 55 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 623 | E | 35.9 | Very low | 34.7 | Very low | 196 Ų | 196 | 141.5 Ų | 141.5 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | 168.5 | 162 | 134.5 | -96 | -174.2 | 178.4 | 0 | 0 | 115.6 | ||||
| 624 | K | 30.3 | Very low | 34.4 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -160.3 | 153 | -178.7 | -85.4 | -170.3 | 179.1 | 177.9 | 0 | 115.2 | ||||
| 625 | P | 38.6 | Very low | 34.4 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -129 | 156.4 | 145.4 | 35 | -21.5 | 0 | 0 | 0 | 113.1 | ||||
| 626 | V | 33.5 | Very low | 34.1 | Very low | 125 Ų | 125 | 137.2 Ų | 137.2 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | cis | 82.4 | 117.1 | 1.6 | -171.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 627 | T | 35.4 | Very low | 34 | Very low | 128 Ų | 128 | 136.8 Ų | 136.8 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | cis | -126.6 | -153 | 2.5 | 37.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 628 | D | 33.8 | Very low | 33.7 | Very low | 153 Ų | 153 | 139.4 Ų | 139.4 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | cis | -160.6 | -176.7 | 6.8 | -159.1 | 3.2 | 0 | 0 | 0 | 112 | ||||
| 629 | A | 30.8 | Very low | 33.5 | Very low | 78 Ų | 78 | 138.4 Ų | 138.4 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | trans | -145.9 | 152.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 630 | T | 33.7 | Very low | 33.1 | Very low | 152 Ų | 152 | 136 Ų | 136 | 93% | 0.933 | 77% | 0.765 | S | S | * | * | trans | -167.7 | 162 | 150.5 | 3.8 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 631 | T | 27.5 | Very low | 32.7 | Very low | 122 Ų | 122 | 136 Ų | 136 | 75% | 0.748 | 77% | 0.765 | S | S | * | * | trans | -92.9 | 150.3 | -165.1 | -33.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 632 | T | 32.8 | Very low | 32.5 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | 160.2 | 132.5 | 120.2 | 41.6 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 633 | S | 33.1 | Very low | 32.2 | Very low | 103 Ų | 103 | 137.1 Ų | 137.1 | 72% | 0.72 | 77% | 0.77 | S | S | * | * | trans | 67.2 | 99.3 | 133.9 | -147.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 634 | S | 30.8 | Very low | 32 | Very low | 94 Ų | 94 | 135.5 Ų | 135.5 | 66% | 0.657 | 77% | 0.767 | S | S | * | * | 79.8 | 142.1 | 116.1 | 73.8 | 0 | 0 | 0 | 0 | 124.7 | |||||
| 635 | K | 34.3 | Very low | 31.9 | Very low | 175 Ų | 175 | 134 Ų | 134 | 76% | 0.761 | 77% | 0.768 | S | S | * | * | trans | 84.2 | 142.1 | 159.2 | -58.6 | -171.6 | 154.1 | -86.2 | 0 | 118.5 | ||||
| 636 | D | 32.9 | Very low | 31.6 | Very low | 119 Ų | 119 | 137.5 Ų | 137.5 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | cis | -163.8 | 168.9 | -17.6 | -100.7 | -22.8 | 0 | 0 | 0 | 110 | ||||
| 637 | E | 33 | Very low | 31.5 | Very low | 173 Ų | 173 | 136.7 Ų | 136.7 | 81% | 0.808 | 77% | 0.774 | S | S | * | * | trans | 73.9 | 102.3 | 161 | -73.5 | 173.1 | -170.2 | 0 | 0 | 122.1 | ||||
| 638 | H | 30.3 | Very low | 31.3 | Very low | 178 Ų | 178 | 134.4 Ų | 134.4 | 82% | 0.824 | 78% | 0.776 | S | S | * | * | trans | 29.5 | 144 | 130.5 | -57.9 | -61.6 | 0 | 0 | 0 | 122 | ||||
| 639 | T | 31.2 | Very low | 31.3 | Very low | 118 Ų | 118 | 132.2 Ų | 132.2 | 72% | 0.724 | 77% | 0.773 | S | S | * | * | cis | -155.2 | 148 | 44.6 | 42.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 640 | N | 30.3 | Very low | 31.5 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | trans | 66.6 | 114.5 | 144.2 | -65 | 37.8 | 0 | 0 | 0 | 122.3 | ||||
| 641 | E | 29.2 | Very low | 31.5 | Very low | 162 Ų | 162 | 132 Ų | 132 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | 37.5 | 117.8 | 109.4 | -59.6 | 162.9 | 166.7 | 0 | 0 | 116.2 | |||||
| 642 | D | 30.5 | Very low | 31.6 | Very low | 161 Ų | 161 | 133.1 Ų | 133.1 | 86% | 0.861 | 77% | 0.767 | S | S | * | * | -158.6 | 166.1 | 50.1 | -91.4 | -39 | 0 | 0 | 0 | 112.5 | |||||
| 643 | G | 28.3 | Very low | 31.3 | Very low | 68 Ų | 68 | 134.9 Ų | 134.9 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -142.8 | 133.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 644 | L | 32.7 | Very low | 31.1 | Very low | 161 Ų | 161 | 135.7 Ų | 135.7 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -146.1 | 134.6 | 178.4 | -74.8 | 176.9 | 0 | 0 | 0 | 111.4 | ||||
| 645 | D | 27.9 | Very low | 31 | Very low | 164 Ų | 164 | 137.6 Ų | 137.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -79.4 | 120.3 | 168.7 | -51.2 | -82.8 | 0 | 0 | 0 | 110.4 | S647 | D645-S647 PolarHBondContact O-N 3.02Š| ||
| 646 | E | 31.4 | Very low | 30.7 | Very low | 192 Ų | 192 | 134.9 Ų | 134.9 | 90% | 0.897 | 78% | 0.779 | S | S | * | * | trans | -94 | 91.1 | 176.5 | -73 | -151.5 | 134.1 | 0 | 0 | 112.7 | G648 | E646-G648 PolarHBondContact O-N 2.92Š| ||
| 647 | S | 32.3 | Very low | 30.4 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -71.4 | 103 | 167.2 | 59.1 | 0 | 0 | 0 | 0 | 111.1 | D645 S649 | D645-S647 PolarHBondContact O-N 3.02Å; S647-S649 PolarHBondContact O-N 3.4Å | ||
| 648 | G | 31 | Very low | 30.2 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -63.1 | 98.2 | -171.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | E646 | E646-G648 PolarHBondContact O-N 2.92Š| ||
| 649 | S | 32.4 | Very low | 30.2 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 132.1 | 170.9 | -71.7 | 0 | 0 | 0 | 0 | 112.2 | S647 | S647-S649 PolarHBondContact O-N 3.4Š|
| 650 | P | 36.4 | Very low | 30.2 | Very low | 96 Ų | 96 | 137.2 Ų | 137.2 | 62% | 0.623 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 152.4 | 179.9 | 29 | -34.4 | 0 | 0 | 0 | 113 | ||
| 651 | P | 32.5 | Very low | 29.9 | Very low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 147.1 | -157.7 | 29 | -36.9 | 0 | 0 | 0 | 115.7 | ||
| 652 | I | 29.3 | Very low | 30 | Very low | 145 Ų | 145 | 143.5 Ų | 143.5 | 74% | 0.744 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -90.4 | 117.7 | 172.7 | -58.2 | 175.3 | 0 | 0 | 0 | 109.9 | V654 | I652-V654 HydrophobicContact CG2-CG2 3.9Å; I652-V654 PolarHBondContact O-N 2.91Å |
| 653 | L | 27.2 | Very low | 29.8 | Very low | 174 Ų | 174 | 144.8 Ų | 144.8 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -74.5 | 90.6 | 170.5 | -83.8 | 168.7 | 0 | 0 | 0 | 111.3 | ||||
| 654 | V | 29.5 | Very low | 30 | Very low | 119 Ų | 119 | 148.8 Ų | 148.8 | 72% | 0.721 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.6 | 118.7 | 173.9 | -179.2 | 0 | 0 | 0 | 0 | 110.7 | I652 P656 | I652-V654 HydrophobicContact CG2-CG2 3.9Å; I652-V654 PolarHBondContact O-N 2.91Å; V654-P656 WeakPolarHBondContact O-CD 3.33Å |
| 655 | V | 28.1 | Very low | 29.9 | Very low | 135 Ų | 135 | 147.6 Ų | 147.6 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 117.4 | 171.7 | -179.5 | 0 | 0 | 0 | 0 | 109.8 | C657 | V655-C657 PolarHBondContact O-N 3.49Š|
| 656 | P | 28.2 | Very low | 30 | Very low | 118 Ų | 118 | 147 Ų | 147 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 118.1 | -170 | 30.6 | -34.5 | 0 | 0 | 0 | 113.3 | V654 | V654-P656 WeakPolarHBondContact O-CD 3.33Š|
| 657 | C | 26.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 147.9 Ų | 147.9 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -106.8 | 93 | 179.1 | -162.6 | 0 | 0 | 0 | 0 | 113.7 | V655 | V655-C657 PolarHBondContact O-N 3.49Š| ||
| 658 | S | 28.8 | Very low | 29.8 | Very low | 112 Ų | 112 | 153 Ų | 153 | 78% | 0.783 | 79% | 0.793 | S | S | * | * | trans | 35.4 | 93.7 | 152.6 | -63.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 659 | Q | 31 | Very low | 29.7 | Very low | 201 Ų | 201 | 157.6 Ų | 157.6 | 94% | 0.939 | 79% | 0.793 | S | S | * | * | trans | -78.5 | 156.7 | 165.8 | -71.4 | -162.2 | 1.2 | 0 | 0 | 114.1 | ||||
| 660 | K | 30.4 | Very low | 29.7 | Very low | 201 Ų | 201 | 163.5 Ų | 163.5 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -96.8 | 120.4 | -166.8 | -68.5 | 169.7 | -178.4 | 165.2 | 0 | 114.2 | ||||
| 661 | K | 25.4 | Very low | 29.4 | Very low | 203 Ų | 203 | 165.8 Ų | 165.8 | 88% | 0.883 | 80% | 0.801 | S | S | * | * | trans | 19.3 | 113 | 146.5 | -62.9 | 174.8 | -178.6 | 171.3 | 0 | 118.3 | ||||
| 662 | K | 30.7 | Very low | 29.4 | Very low | 215 Ų | 215 | 164 Ų | 164 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | trans | -122.9 | 158.9 | 138.6 | -81.3 | -176.6 | 178.9 | 172.1 | 0 | 110.2 | ||||
| 663 | K | 27 | Very low | 29.6 | Very low | 188 Ų | 188 | 165.5 Ų | 165.5 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -106.6 | 149.4 | -166.6 | -55.8 | 165.7 | -176.1 | 169.8 | 0 | 110.4 | ||||
| 664 | H | 31.6 | Very low | 29.9 | Very low | 152 Ų | 152 | 166.4 Ų | 166.4 | 70% | 0.704 | 79% | 0.79 | S | S | * | * | 178.6 | 135.4 | 107.5 | -108.8 | -103.8 | 0 | 0 | 0 | 115.2 | |||||
| 665 | H | 31.8 | Very low | 30.3 | Very low | 136 Ų | 136 | 165.5 Ų | 165.5 | 63% | 0.63 | 79% | 0.789 | S | S | * | * | trans | 67.8 | 151.8 | 147.8 | -82.3 | 31.1 | 0 | 0 | 0 | 120.3 | ||||
| 666 | K | 29 | Very low | 30.7 | Very low | 153 Ų | 153 | 167.1 Ų | 167.1 | 67% | 0.665 | 79% | 0.785 | S | S | * | * | cis | -171 | 150.7 | -30.1 | -144.2 | -178.5 | -159 | 156.5 | 0 | 110.2 | ||||
| 667 | R | 29.8 | Very low | 31 | Very low | 210 Ų | 210 | 171.8 Ų | 171.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | trans | 72.5 | 152.1 | 168 | -58.6 | 173.3 | 162 | 174.9 | -5.3 | 115.7 | ||||
| 668 | R | 30.4 | Very low | 31.4 | Very low | 214 Ų | 214 | 170.6 Ų | 170.6 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | cis | -159.7 | 160 | -18.5 | -116.4 | 178.9 | 172.7 | -177.2 | -4.7 | 111.3 | ||||
| 669 | H | 29.1 | Very low | 31.6 | Very low | 177 Ų | 177 | 173.4 Ų | 173.4 | 82% | 0.819 | 78% | 0.777 | S | S | * | * | trans | -45.4 | 152 | 170.1 | -66.8 | -105.8 | 0 | 0 | 0 | 116.8 | ||||
| 670 | R | 30.9 | Very low | 31.7 | Very low | 232 Ų | 232 | 168.2 Ų | 168.2 | 88% | 0.875 | 76% | 0.763 | S | S | * | * | -162.4 | 173.2 | 101.3 | -126.9 | 179.3 | 173.8 | 158.8 | 0.2 | 115.1 | |||||
| 671 | E | 30.5 | Very low | 31.8 | Very low | 143 Ų | 143 | 163.7 Ų | 163.7 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | trans | -105.9 | 155.9 | -168.1 | -38.2 | 118.2 | 88.8 | 0 | 0 | 113.2 | ||||
| 672 | S | 32.1 | Very low | 32.1 | Very low | 94 Ų | 94 | 158.8 Ų | 158.8 | 66% | 0.657 | 75% | 0.748 | S | S | * | * | 151.5 | 143.2 | 96.1 | 62.9 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 673 | K | 35.1 | Very low | 32.3 | Very low | 176 Ų | 176 | 157.7 Ų | 157.7 | 77% | 0.765 | 74% | 0.743 | S | S | * | * | trans | 69.1 | 109.1 | 139.1 | -71.6 | 160.6 | -170.9 | 164.2 | 0 | 122.5 | ||||
| 674 | K | 33.7 | Very low | 32.4 | Very low | 193 Ų | 193 | 158 Ų | 158 | 84% | 0.839 | 74% | 0.744 | S | S | * | * | 106.5 | 141.8 | 107.6 | -92.3 | -175 | 172.3 | -179.5 | 0 | 121.1 | |||||
| 675 | S | 36.2 | Very low | 32.4 | Very low | 100 Ų | 100 | 154.7 Ų | 154.7 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | 96.6 | 130.3 | 143 | -154.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 676 | K | 37.5 | Very low | 32.4 | Very low | 169 Ų | 169 | 156.2 Ų | 156.2 | 74% | 0.735 | 75% | 0.748 | S | S | * | * | cis | -170.5 | 139.7 | -11.2 | -114.9 | 179.7 | -172.6 | 172 | 0 | 110.8 | ||||
| 677 | R | 34 | Very low | 32.6 | Very low | 215 Ų | 215 | 154.7 Ų | 154.7 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | 63 | 155.4 | 138.5 | -74.9 | -174.8 | 163.3 | -171.9 | -5.6 | 119.9 | ||||
| 678 | T | 34.2 | Very low | 32.6 | Very low | 98 Ų | 98 | 151.3 Ų | 151.3 | 60% | 0.601 | 74% | 0.739 | S | S | * | * | cis | -159.2 | 145.6 | -2.7 | 8.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 679 | H | 34.4 | Very low | 32.7 | Very low | 171 Ų | 171 | 147.6 Ų | 147.6 | 79% | 0.792 | 74% | 0.735 | S | S | * | * | trans | 35.4 | 151.9 | 133.3 | -59.4 | -35 | 0 | 0 | 0 | 123.2 | ||||
| 680 | S | 32.1 | Very low | 32.8 | Very low | 92 Ų | 92 | 147.3 Ų | 147.3 | 64% | 0.643 | 74% | 0.735 | S | S | * | * | cis | 177.4 | 155.1 | -8.5 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 681 | S | 31.8 | Very low | 32.8 | Very low | 106 Ų | 106 | 141.2 Ų | 141.2 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | 54.2 | 149 | 144 | 59.9 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 682 | S | 32.6 | Very low | 32.9 | Very low | 100 Ų | 100 | 140.3 Ų | 140.3 | 70% | 0.699 | 74% | 0.737 | S | S | * | * | cis | -179.5 | 170.6 | -6.9 | 56 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 683 | K | 34 | Very low | 32.8 | Very low | 192 Ų | 192 | 144.6 Ų | 144.6 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | 78.6 | 108.4 | 152.1 | -76 | 178.9 | 176.8 | 175.2 | 0 | 122.6 | ||||
| 684 | K | 30.1 | Very low | 32.8 | Very low | 196 Ų | 196 | 146.1 Ų | 146.1 | 85% | 0.852 | 75% | 0.753 | S | S | * | * | 82.1 | 126.6 | 105.4 | -150.9 | -152.1 | -180 | -171 | 0 | 122 | |||||
| 685 | A | 31.5 | Very low | 32.7 | Very low | 81 Ų | 81 | 145.1 Ų | 145.1 | 67% | 0.669 | 75% | 0.752 | S | S | * | * | trans | 93.9 | 106.6 | 143.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 686 | K | 31 | Very low | 32.8 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 73% | 0.73 | 76% | 0.758 | S | S | * | * | 64.1 | 149.1 | 116.9 | -143 | -156 | 179.4 | -122.2 | 0 | 120.9 | E688 | K686-E688 IonicContact NZ-OE1 2.75Š| |||
| 687 | L | 34 | Very low | 32.7 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 63% | 0.634 | 76% | 0.757 | S | S | * | * | trans | 76 | 150.9 | 170.2 | -46.9 | 176.6 | 0 | 0 | 0 | 113.3 | ||||
| 688 | E | 30.2 | Very low | 32.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 65% | 0.654 | 75% | 0.749 | S | S | * | * | cis | -168.9 | 172.1 | -37.6 | -115.1 | 149.7 | -138.8 | 0 | 0 | 105.6 | K686 | K686-E688 IonicContact NZ-OE1 2.75Š| ||
| 689 | D | 31.5 | Very low | 32.9 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | 66.3 | 126.2 | 160.5 | -58.6 | -15.9 | 0 | 0 | 0 | 124.1 | ||||
| 690 | E | 32.2 | Very low | 32.8 | Very low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | 68.1 | 114 | 129.5 | -63.1 | -169.5 | 153.3 | 0 | 0 | 124.1 | |||||
| 691 | S | 29.2 | Very low | 32.9 | Very low | 103 Ų | 103 | 151.2 Ų | 151.2 | 72% | 0.72 | 78% | 0.776 | S | S | * | * | trans | 27.7 | 132.6 | 135.1 | 64 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 692 | S | 33.3 | Very low | 32.9 | Very low | 124 Ų | 124 | 153.6 Ų | 153.6 | 87% | 0.867 | 78% | 0.78 | S | S | * | * | -170.3 | 157.5 | 106.9 | 28.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 693 | E | 30.8 | Very low | 33.2 | Very low | 184 Ų | 184 | 153.5 Ų | 153.5 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -79.8 | 153.4 | 174.7 | -54.6 | 145.1 | 131.7 | 0 | 0 | 111.1 | ||||
| 694 | K | 34.9 | Very low | 33.1 | Very low | 209 Ų | 209 | 152.4 Ų | 152.4 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | -166.9 | 152.4 | 123.1 | -108.9 | 161.7 | -173.2 | 175.6 | 0 | 114.9 | |||||
| 695 | E | 31.6 | Very low | 33.4 | Very low | 172 Ų | 172 | 150 Ų | 150 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -80.1 | 157.5 | 171.3 | -51.6 | 162.8 | 116.5 | 0 | 0 | 110.4 | ||||
| 696 | D | 37.3 | Very low | 33.4 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | -161.3 | 101.5 | 143.9 | -98.9 | -32.5 | 0 | 0 | 0 | 109.9 | ||||
| 697 | K | 35.6 | Very low | 33.6 | Very low | 160 Ų | 160 | 147.4 Ų | 147.4 | 70% | 0.696 | 80% | 0.8 | S | S | * | * | 14.9 | 150.1 | 114.4 | -69.2 | 179.1 | 146.8 | -81.8 | 0 | 118.2 | |||||
| 698 | D | 34.2 | Very low | 33.5 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 64% | 0.642 | 81% | 0.808 | S | S | * | * | cis | -158.1 | 169.5 | -5.9 | -92.1 | -33.3 | 0 | 0 | 0 | 106.2 | ||||
| 699 | E | 37.7 | Very low | 33.4 | Very low | 193 Ų | 193 | 151.7 Ų | 151.7 | 90% | 0.902 | 82% | 0.822 | S | S | * | * | trans | 158.3 | 129.8 | 135.2 | -88.1 | -177.9 | -178.3 | 0 | 0 | 112.8 | ||||
| 700 | E | 33.4 | Very low | 33.7 | Very low | 175 Ų | 175 | 149.7 Ų | 149.7 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -87.6 | 162.2 | 176.1 | -61.8 | 163.9 | 123.1 | 0 | 0 | 111.5 | ||||
| 701 | N | 34.8 | Very low | 33.7 | Very low | 166 Ų | 166 | 150 Ų | 150 | 89% | 0.888 | 82% | 0.817 | S | S | * | * | trans | -162.2 | 111.8 | 151 | -103.9 | -79.9 | 0 | 0 | 0 | 110.3 | ||||
| 702 | D | 31.9 | Very low | 33.9 | Very low | 157 Ų | 157 | 151.6 Ų | 151.6 | 84% | 0.84 | 83% | 0.825 | S | S | * | * | trans | -78.8 | 144.8 | 174.5 | -66.2 | -58.3 | 0 | 0 | 0 | 112.9 | ||||
| 703 | A | 38.8 | Very low | 34.2 | Very low | 98 Ų | 98 | 148.1 Ų | 148.1 | 81% | 0.81 | 80% | 0.804 | S | S | * | * | trans | -165.7 | 123.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 704 | D | 31.9 | Very low | 34.8 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 90% | 0.904 | 79% | 0.787 | S | S | * | * | trans | -60.2 | 132.6 | 177.2 | -66 | -73.2 | 0 | 0 | 0 | 114.3 | ||||
| 705 | V | 36 | Very low | 34.9 | Very low | 144 Ų | 144 | 140 Ų | 140 | 87% | 0.873 | 78% | 0.776 | S | S | * | * | trans | -140.6 | 125.6 | 142.7 | -175.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 706 | S | 32.3 | Very low | 35.3 | Very low | 121 Ų | 121 | 133.5 Ų | 133.5 | 85% | 0.846 | 75% | 0.748 | S | S | * | * | trans | -77.1 | 141.5 | -178.3 | 46.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 707 | G | 33.6 | Very low | 35.4 | Very low | 75 Ų | 75 | 129.5 Ų | 129.5 | 77% | 0.773 | 73% | 0.726 | S | S | * | * | trans | -177.2 | 79.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 708 | D | 32.5 | Very low | 35.6 | Very low | 149 Ų | 149 | 125.9 Ų | 125.9 | 80% | 0.797 | 71% | 0.712 | S | S | * | * | trans | 60.8 | 67.8 | 149.6 | -152.7 | 13 | 0 | 0 | 0 | 119.1 | ||||
| 709 | E | 28.3 | Very low | 35.7 | Very low | 202 Ų | 202 | 121.9 Ų | 121.9 | 94% | 0.944 | 69% | 0.692 | S | S | * | * | trans | -82.5 | 112 | 166 | -73 | -158.8 | 138.3 | 0 | 0 | 112.4 | ||||
| 710 | S | 38 | Very low | 35.9 | Very low | 93 Ų | 93 | 113.1 Ų | 113.1 | 65% | 0.65 | 65% | 0.652 | S | S | * | * | trans | -122.1 | 96.7 | -178.9 | 47.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 711 | K | 31.7 | Very low | 36.3 | Very low | 177 Ų | 177 | 108.6 Ų | 108.6 | 77% | 0.77 | 63% | 0.631 | S | S | * | * | trans | 58 | 97.7 | 148.6 | -59.2 | 177.1 | -180 | 176.3 | 0 | 120.1 | A713 | K711-A713 HydrophobicContact CB-CB 4.03Å; K711-A713 PolarHBondContact O-N 2.91Å; K711-A713 VanDerWaalsContact O-N 3.12Å | ||
| 712 | P | 32.5 | Very low | 36.6 | Very low | 138 Ų | 138 | 104.9 Ų | 104.9 | 90% | 0.896 | 61% | 0.609 | S | S | * | * | trans | -83 | 61.1 | 149.9 | 35.8 | -33.5 | 0 | 0 | 0 | 110.7 | ||||
| 713 | A | 40.4 | Very low | 37 | Very low | 50 Ų | 50 | 98.4 Ų | 98.4 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | trans | -106.9 | -25.7 | -172.7 | 0 | 0 | 0 | 0 | 0 | 118.1 | K711 V716 | K711-A713 HydrophobicContact CB-CB 4.03Å; K711-A713 PolarHBondContact O-N 2.91Å; K711-A713 VanDerWaalsContact O-N 3.12Å; A713-V716 WeakPolarHBondContact O-CB 3.34Å; A713-V716 WeakPolarHBondContact O-CG2 3.14Å | ||
| 714 | P | 42.8 | Very low | 37.5 | Very low | 79 Ų | 79 | 97.8 Ų | 97.8 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.5 | -28.3 | -165 | 31.4 | -35.6 | 0 | 0 | 0 | 115.2 | V716 Q718 | P714-V716 PolarHBondContact O-N 3.47Å; P714-Q718 VanDerWaalsContact O-CG 3.23Å; P714-Q718 WeakPolarHBondContact O-CG 3.32Å; P714-Q718 PolarHBondContact O-N 3.45Å |
| 715 | E | 37.3 | Very low | 38.4 | Very low | 144 Ų | 144 | 91.7 Ų | 91.7 | 67% | 0.673 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | 12.9 | 178 | -54.5 | -177.2 | 143.5 | 0 | 0 | 113.6 | K5 | K5-E715 WeakPolarHBondContact CE-O 3.45Å; K5-E715 PolarHBondContact NZ-O 3.28Å |
| 716 | V | 40 | Very low | 39.2 | Very low | 36 Ų | 36 | 88.9 Ų | 88.9 | 22% | 0.218 | 50% | 0.497 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | -60.7 | -172.6 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | K5 A713 P714 | K5-V716 HydrophobicContact CB-CG1 4.15Å; K5-V716 HydrophobicContact CD-CB 4.16Å; K5-V716 HydrophobicContact CD-CG1 3.9Å; K5-V716 HydrophobicContact CD-CG2 4.12Å; K5-V716 HydrophobicContact CG-CG1 3.96Å; A713-V716 WeakPolarHBondContact O-CB 3.34Å; A713-V716 WeakPolarHBondContact O-CG2 3.14Å; P714-V716 PolarHBondContact O-N 3.47Å |
| 717 | D | 39.8 | Very low | 40.3 | Very low | 73 Ų | 73 | 91.1 Ų | 91.1 | 39% | 0.39 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -88.2 | -24 | 179.7 | -63.2 | -71 | 0 | 0 | 0 | 111.3 | R8 T719 A720 E721 | R8-D717 IonicContact NH1-OD1 3.47Å; R8-D717 PolarHBondContact NH1-OD1 2.84Å; D717-T719 VanDerWaalsContact C-N 3.28Å; D717-T719 PolarHBondContact O-N 3.35Å; D717-T719 VanDerWaalsContact O-N 3.12Å; D717-A720 CarbonylContact O-C 3.38Å; D717-A720 VanDerWaalsContact O-CB 3.32Å; D717-A720 WeakPolarHBondContact O-CB 3.44Å; D717-A720 PolarHBondContact O-N 2.88Å; D717-E721 WeakPolarHBondContact CB-OE1 3.47Å; D717-E721 WeakPolarHBondContact O-CB 3.49Å; D717-E721 VanDerWaalsContact O-CG 3.23Å; D717-E721 WeakPolarHBondContact O-CG 3.1Å; D717-E721 PolarHBondContact O-N 3.17Å |
| 718 | Q | 39.4 | Very low | 41.6 | Very low | 85 Ų | 85 | 90.2 Ų | 90.2 | 40% | 0.397 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -51.1 | -38.3 | 174.2 | -79.1 | 174.3 | -9.3 | 0 | 0 | 115.1 | P714 E722 | P714-Q718 VanDerWaalsContact O-CG 3.23Å; P714-Q718 WeakPolarHBondContact O-CG 3.32Å; P714-Q718 PolarHBondContact O-N 3.45Å; Q718-E722 WeakPolarHBondContact O-CB 3.47Å; Q718-E722 PolarHBondContact O-N 3.4Å |
| 719 | T | 37.4 | Very low | 42.9 | Very low | 36 Ų | 36 | 85.2 Ų | 85.2 | 22% | 0.221 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -78.9 | -38.2 | 178.4 | 74.7 | 0 | 0 | 0 | 0 | 111.4 | K9 D717 E721 E722 E723 | K9-T719 VanDerWaalsContact CE-CG2 3.48Å; K9-T719 WeakPolarHBondContact CE-OG1 3.36Å; K9-T719 WeakPolarHBondContact CG-OG1 3.49Å; D717-T719 VanDerWaalsContact C-N 3.28Å; D717-T719 PolarHBondContact O-N 3.35Å; D717-T719 VanDerWaalsContact O-N 3.12Å; T719-E721 VanDerWaalsContact C-N 3.3Å; T719-E721 PolarHBondContact O-N 2.99Å; T719-E722 CarbonylContact O-C 3.58Å; T719-E722 WeakPolarHBondContact O-CA 3.28Å; T719-E722 WeakPolarHBondContact O-CB 3.37Å; T719-E722 PolarHBondContact O-N 3.11Å; T719-E723 VanDerWaalsContact CB-OE2 3.25Å; T719-E723 WeakPolarHBondContact CB-OE2 3.34Å; T719-E723 WeakPolarHBondContact O-CB 3.23Å; T719-E723 WeakPolarHBondContact O-CG 3.49Å; T719-E723 PolarHBondContact O-N 3.46Å; T719-E723 PolarHBondContact OG1-OE2 2.99Å |
| 720 | A | 41.1 | Very low | 44.3 | Very low | 8 Ų | 8 | 78.9 Ų | 78.9 | 7% | 0.066 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.8 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | R8 D717 E723 E724 | R8-A720 HydrophobicContact CG-CB 4.45Å; D717-A720 CarbonylContact O-C 3.38Å; D717-A720 VanDerWaalsContact O-CB 3.32Å; D717-A720 WeakPolarHBondContact O-CB 3.44Å; D717-A720 PolarHBondContact O-N 2.88Å; A720-E723 PolarHBondContact O-N 3.25Å; A720-E724 WeakPolarHBondContact O-CB 3.32Å; A720-E724 PolarHBondContact O-N 3.14Å |
| 721 | E | 42.3 | Very low | 45.6 | Very low | 80 Ų | 80 | 78.7 Ų | 78.7 | 37% | 0.374 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.3 | -44 | 169.7 | -70.7 | 158.9 | -162.4 | 0 | 0 | 110.1 | D717 T719 E723 R725 | D717-E721 WeakPolarHBondContact CB-OE1 3.47Å; D717-E721 WeakPolarHBondContact O-CB 3.49Å; D717-E721 VanDerWaalsContact O-CG 3.23Å; D717-E721 WeakPolarHBondContact O-CG 3.1Å; D717-E721 PolarHBondContact O-N 3.17Å; T719-E721 VanDerWaalsContact C-N 3.3Å; T719-E721 PolarHBondContact O-N 2.99Å; E721-E723 VanDerWaalsContact C-N 3.33Å; E721-E723 PolarHBondContact O-N 2.87Å; E721-R725 WeakPolarHBondContact O-CA 3.33Å; E721-R725 WeakPolarHBondContact O-CB 3.49Å; E721-R725 VanDerWaalsContact O-CD 3.32Å; E721-R725 WeakPolarHBondContact O-CD 3.39Å; E721-R725 WeakPolarHBondContact O-CG 3.44Å; E721-R725 PolarHBondContact O-N 2.77Å |
| 722 | E | 41.7 | Very low | 46.9 | Very low | 89 Ų | 89 | 76.4 Ų | 76.4 | 42% | 0.416 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -67.7 | -30.7 | 176.8 | -159.7 | 63.6 | -172 | 0 | 0 | 113.8 | Q718 T719 R725 I726 | Q718-E722 WeakPolarHBondContact O-CB 3.47Å; Q718-E722 PolarHBondContact O-N 3.4Å; T719-E722 CarbonylContact O-C 3.58Å; T719-E722 WeakPolarHBondContact O-CA 3.28Å; T719-E722 WeakPolarHBondContact O-CB 3.37Å; T719-E722 PolarHBondContact O-N 3.11Å; E722-R725 WeakPolarHBondContact O-CB 3.32Å; E722-R725 WeakPolarHBondContact OE2-CD 3.36Å; E722-R725 IonicContact OE2-CZ 3.38Å; E722-R725 IonicContact OE2-NE 3.67Å; E722-R725 IonicContact OE2-NH1 2.68Å; E722-R725 PolarHBondContact OE2-NH1 3.29Å; E722-I726 WeakPolarHBondContact O-CB 3.19Å; E722-I726 WeakPolarHBondContact O-CD1 3.29Å; E722-I726 WeakPolarHBondContact O-CG1 3.39Å; E722-I726 PolarHBondContact O-N 3.36Å |
| 723 | E | 39.8 | Very low | 48.4 | Very low | 20 Ų | 20 | 70.9 Ų | 70.9 | 9% | 0.093 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -84.6 | -42.6 | -176 | -75.7 | 165.7 | 119.5 | 0 | 0 | 111.1 | D12 N13 T719 A720 E721 R725 I726 R727 | D12-E723 HydrophobicContact CB-CB 3.51Å; D12-E723 VanDerWaalsContact CB-CD 3.43Å; D12-E723 HydrophobicContact CB-CG 3.72Å; D12-E723 VanDerWaalsContact CB-OE1 3.29Å; D12-E723 WeakPolarHBondContact CB-OE1 3.26Å; N13-E723 PolarHBondContact ND2-OE1 3.01Å; T719-E723 VanDerWaalsContact CB-OE2 3.25Å; T719-E723 WeakPolarHBondContact CB-OE2 3.34Å; T719-E723 WeakPolarHBondContact O-CB 3.23Å; T719-E723 WeakPolarHBondContact O-CG 3.49Å; T719-E723 PolarHBondContact O-N 3.46Å; T719-E723 PolarHBondContact OG1-OE2 2.99Å; A720-E723 PolarHBondContact O-N 3.25Å; E721-E723 VanDerWaalsContact C-N 3.33Å; E721-E723 PolarHBondContact O-N 2.87Å; E723-R725 VanDerWaalsContact C-N 3.32Å; E723-I726 PolarHBondContact O-N 3.1Å; E723-R727 PolarHBondContact O-N 2.71Å |
| 724 | E | 48.1 | Very low | 49.3 | Very low | 85 Ų | 85 | 71 Ų | 71 | 40% | 0.397 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -67.4 | -32.6 | 165.2 | -174.4 | 58.7 | -155.9 | 0 | 0 | 110.7 | A720 R727 I728 | A720-E724 WeakPolarHBondContact O-CB 3.32Å; A720-E724 PolarHBondContact O-N 3.14Å; E724-R727 PolarHBondContact O-N 2.72Å; E724-I728 HydrophobicContact CG-CD1 3.84Å; E724-I728 HydrophobicContact CG-CG1 4.29Å; E724-I728 WeakPolarHBondContact O-CB 3.32Å; E724-I728 WeakPolarHBondContact O-CG1 3.34Å; E724-I728 PolarHBondContact O-N 2.7Å |
| 725 | R | 51.9 | Low | 50.3 | Low | 42 Ų | 42 | 74.4 Ų | 74.4 | 16% | 0.158 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60 | -46 | 166.5 | -83.1 | 163.8 | 179.7 | 160.9 | 5.1 | 111.1 | I538 E721 E722 E723 R727 I728 L729 | I538-R725 HydrophobicContact CD1-CG 4.3Å; I538-R725 VanDerWaalsContact CG2-NH2 3.29Å; E721-R725 WeakPolarHBondContact O-CA 3.33Å; E721-R725 WeakPolarHBondContact O-CB 3.49Å; E721-R725 VanDerWaalsContact O-CD 3.32Å; E721-R725 WeakPolarHBondContact O-CD 3.39Å; E721-R725 WeakPolarHBondContact O-CG 3.44Å; E721-R725 PolarHBondContact O-N 2.77Å; E722-R725 WeakPolarHBondContact O-CB 3.32Å; E722-R725 WeakPolarHBondContact OE2-CD 3.36Å; E722-R725 IonicContact OE2-CZ 3.38Å; E722-R725 IonicContact OE2-NE 3.67Å; E722-R725 IonicContact OE2-NH1 2.68Å; E722-R725 PolarHBondContact OE2-NH1 3.29Å; E723-R725 VanDerWaalsContact C-N 3.32Å; R725-R727 VanDerWaalsContact C-N 3.3Å; R725-R727 PolarHBondContact O-N 3.36Å; R725-I728 CarbonylContact O-C 3.22Å; R725-I728 PolarHBondContact O-N 3.3Å; R725-L729 WeakPolarHBondContact O-CA 3.34Å; R725-L729 WeakPolarHBondContact O-CB 3.44Å; R725-L729 WeakPolarHBondContact O-CD1 3.23Å; R725-L729 WeakPolarHBondContact O-CG 3.3Å; R725-L729 PolarHBondContact O-N 3.29Å |
| 726 | I | 51.9 | Low | 51.2 | Low | 84 Ų | 84 | 69.4 Ų | 69.4 | 43% | 0.431 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.7 | -40.7 | 177.1 | -75.4 | 160.3 | 0 | 0 | 0 | 110.5 | E722 E723 L729 L730 | E722-I726 WeakPolarHBondContact O-CB 3.19Å; E722-I726 WeakPolarHBondContact O-CD1 3.29Å; E722-I726 WeakPolarHBondContact O-CG1 3.39Å; E722-I726 PolarHBondContact O-N 3.36Å; E723-I726 PolarHBondContact O-N 3.1Å; I726-L729 PolarHBondContact O-N 3.27Å; I726-L730 HydrophobicContact CG2-CD1 4.06Å; I726-L730 WeakPolarHBondContact O-CB 3.31Å; I726-L730 WeakPolarHBondContact O-CG 3.34Å; I726-L730 PolarHBondContact O-N 2.86Å |
| 727 | R | 56.4 | Low | 52.1 | Low | 169 Ų | 169 | 67.9 Ų | 67.9 | 64% | 0.638 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -67.4 | -44.5 | 176.4 | -167.3 | -177.6 | -172.2 | -176.5 | 2 | 112.5 | E723 E724 R725 L729 L730 N731 | E723-R727 PolarHBondContact O-N 2.71Å; E724-R727 PolarHBondContact O-N 2.72Å; R725-R727 VanDerWaalsContact C-N 3.3Å; R725-R727 PolarHBondContact O-N 3.36Å; R727-L729 VanDerWaalsContact C-N 3.31Å; R727-L730 PolarHBondContact O-N 3.35Å; R727-N731 WeakPolarHBondContact O-CB 3.48Å; R727-N731 PolarHBondContact O-N 3.34Å |
| 728 | I | 60.2 | Low | 53 | Low | 56 Ų | 56 | 68.9 Ų | 68.9 | 29% | 0.287 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.5 | -38.9 | 173.1 | -73.7 | 170.7 | 0 | 0 | 0 | 110.1 | E724 R725 N731 R732 | E724-I728 HydrophobicContact CG-CD1 3.84Å; E724-I728 HydrophobicContact CG-CG1 4.29Å; E724-I728 WeakPolarHBondContact O-CB 3.32Å; E724-I728 WeakPolarHBondContact O-CG1 3.34Å; E724-I728 PolarHBondContact O-N 2.7Å; R725-I728 CarbonylContact O-C 3.22Å; R725-I728 PolarHBondContact O-N 3.3Å; I728-N731 PolarHBondContact O-N 3.14Å; I728-R732 HydrophobicContact CG2-CG 4.19Å; I728-R732 WeakPolarHBondContact O-CA 3.48Å; I728-R732 WeakPolarHBondContact O-CB 3.37Å; I728-R732 WeakPolarHBondContact O-CG 3.3Å; I728-R732 PolarHBondContact O-N 3.41Å |
| 729 | L | 59.3 | Low | 54 | Low | 44 Ų | 44 | 65.7 Ų | 65.7 | 23% | 0.23 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.4 | -44.7 | 176.5 | -78.2 | 166.4 | 0 | 0 | 0 | 111.3 | R725 I726 R727 R732 R733 | R725-L729 WeakPolarHBondContact O-CA 3.34Å; R725-L729 WeakPolarHBondContact O-CB 3.44Å; R725-L729 WeakPolarHBondContact O-CD1 3.23Å; R725-L729 WeakPolarHBondContact O-CG 3.3Å; R725-L729 PolarHBondContact O-N 3.29Å; I726-L729 PolarHBondContact O-N 3.27Å; R727-L729 VanDerWaalsContact C-N 3.31Å; L729-R732 PolarHBondContact O-N 3.42Å; L729-R733 WeakPolarHBondContact O-CB 3.23Å; L729-R733 VanDerWaalsContact O-CG 3.27Å; L729-R733 WeakPolarHBondContact O-CG 3.31Å; L729-R733 PolarHBondContact O-N 2.94Å |
| 730 | L | 59.3 | Low | 54.9 | Low | 68 Ų | 68 | 70.8 Ų | 70.8 | 36% | 0.356 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.1 | -39.2 | 175.2 | -73 | 170.5 | 0 | 0 | 0 | 111.9 | I726 R727 R733 H734 | I726-L730 HydrophobicContact CG2-CD1 4.06Å; I726-L730 WeakPolarHBondContact O-CB 3.31Å; I726-L730 WeakPolarHBondContact O-CG 3.34Å; I726-L730 PolarHBondContact O-N 2.86Å; R727-L730 PolarHBondContact O-N 3.35Å; L730-R733 PolarHBondContact O-N 2.72Å; L730-H734 WeakPolarHBondContact O-CB 3.46Å; L730-H734 PolarHBondContact O-N 3.42Å |
| 731 | N | 63.4 | Low | 55.8 | Low | 90 Ų | 90 | 73 Ų | 73 | 48% | 0.481 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -71.3 | -37.3 | 176.4 | -163.3 | 2.1 | 0 | 0 | 0 | 111.6 | R727 I728 H734 K735 | R727-N731 WeakPolarHBondContact O-CB 3.48Å; R727-N731 PolarHBondContact O-N 3.34Å; I728-N731 PolarHBondContact O-N 3.14Å; N731-H734 WeakPolarHBondContact O-CB 3.34Å; N731-H734 PolarHBondContact O-N 2.85Å; N731-K735 WeakPolarHBondContact O-CG 3.46Å; N731-K735 PolarHBondContact O-N 3.17Å |
| 732 | R | 60.3 | Low | 56.7 | Low | 128 Ų | 128 | 70.7 Ų | 70.7 | 48% | 0.483 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -61.4 | -52.6 | 168.1 | -78.4 | 174.6 | 177 | 174.1 | -1.8 | 110.1 | I728 L729 H734 K735 V736 | I728-R732 HydrophobicContact CG2-CG 4.19Å; I728-R732 WeakPolarHBondContact O-CA 3.48Å; I728-R732 WeakPolarHBondContact O-CB 3.37Å; I728-R732 WeakPolarHBondContact O-CG 3.3Å; I728-R732 PolarHBondContact O-N 3.41Å; L729-R732 PolarHBondContact O-N 3.42Å; R732-H734 PolarHBondContact O-N 3.25Å; R732-H734 VanDerWaalsContact O-N 3.15Å; R732-K735 PolarHBondContact O-N 2.77Å; R732-K735 VanDerWaalsContact O-N 3.15Å; R732-V736 WeakPolarHBondContact O-CB 3.34Å; R732-V736 WeakPolarHBondContact O-CG2 3.5Å; R732-V736 PolarHBondContact O-N 2.86Å |
| 733 | R | 63.2 | Low | 57.7 | Low | 23 Ų | 23 | 68.6 Ų | 68.6 | 9% | 0.087 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -54.2 | -32.3 | 173.8 | -76.5 | -174.3 | -154.3 | 148.3 | 14 | 113 | D425 Y460 E464 L729 L730 I737 | D425-R733 IonicContact OD2-CZ 3.2Å; D425-R733 IonicContact OD2-NH1 3.43Å; D425-R733 PolarHBondContact OD2-NH1 2.76Å; Y460-R733 HydrophobicContact CD1-CG 3.59Å; Y460-R733 HydrophobicContact CE1-CG 3.6Å; E464-R733 IonicContact OE1-CZ 3.01Å; E464-R733 IonicContact OE1-NH2 2.67Å; E464-R733 PolarHBondContact OE1-NH2 3.19Å; E464-R733 IonicContact OE2-CZ 3.38Å; E464-R733 VanDerWaalsContact OE2-CZ 3.26Å; E464-R733 IonicContact OE2-NE 2.75Å; E464-R733 PolarHBondContact OE2-NE 2.95Å; E464-R733 IonicContact OE2-NH2 2.68Å; E464-R733 PolarHBondContact OE2-NH2 3.24Å; L729-R733 WeakPolarHBondContact O-CB 3.23Å; L729-R733 VanDerWaalsContact O-CG 3.27Å; L729-R733 WeakPolarHBondContact O-CG 3.31Å; L729-R733 PolarHBondContact O-N 2.94Å; L730-R733 PolarHBondContact O-N 2.72Å; R733-I737 WeakPolarHBondContact O-CB 3.39Å; R733-I737 WeakPolarHBondContact O-CD1 3.48Å; R733-I737 VanDerWaalsContact O-CG1 3.26Å; R733-I737 WeakPolarHBondContact O-CG1 3.18Å |
| 734 | H | 60.6 | Low | 58.8 | Low | 51 Ų | 51 | 72.7 Ų | 72.7 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -68.7 | -61.2 | 173.1 | -154.7 | 82.6 | 0 | 0 | 0 | 110.3 | L730 N731 R732 V736 I737 E738 | L730-H734 WeakPolarHBondContact O-CB 3.46Å; L730-H734 PolarHBondContact O-N 3.42Å; N731-H734 WeakPolarHBondContact O-CB 3.34Å; N731-H734 PolarHBondContact O-N 2.85Å; R732-H734 PolarHBondContact O-N 3.25Å; R732-H734 VanDerWaalsContact O-N 3.15Å; H734-V736 PolarHBondContact O-N 2.91Å; H734-I737 CarbonylContact O-C 3.54Å; H734-I737 VanDerWaalsContact O-C 3.29Å; H734-I737 PolarHBondContact O-N 2.95Å; H734-I737 VanDerWaalsContact O-N 3.11Å; H734-E738 IonicContact NE2-OE1 2.72Å; H734-E738 WeakPolarHBondContact O-CG 3.41Å; H734-E738 PolarHBondContact O-N 2.94Å |
| 735 | K | 62.4 | Low | 59.5 | Low | 152 Ų | 152 | 74.1 Ų | 74.1 | 66% | 0.661 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -58.2 | -46.4 | -178.1 | -71.8 | -177.6 | 171.8 | -163.7 | 0 | 114.1 | N731 R732 I737 | N731-K735 WeakPolarHBondContact O-CG 3.46Å; N731-K735 PolarHBondContact O-N 3.17Å; R732-K735 PolarHBondContact O-N 2.77Å; R732-K735 VanDerWaalsContact O-N 3.15Å; K735-I737 PolarHBondContact O-N 2.81Å |
| 736 | V | 56.7 | Low | 60 | Low | 38 Ų | 38 | 76.7 Ų | 76.7 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -15.8 | 179.2 | 168.9 | 0 | 0 | 0 | 0 | 112 | Y460 Y528 R732 H734 | Y460-V736 HydrophobicContact CD2-CG1 4.22Å; Y460-V736 HydrophobicContact CE2-CG1 4.13Å; Y528-V736 HydrophobicContact CD2-CG1 3.84Å; Y528-V736 HydrophobicContact CD2-CG2 4.38Å; Y528-V736 HydrophobicContact CE2-CG1 3.98Å; Y528-V736 HydrophobicContact CE2-CG2 4.03Å; R732-V736 WeakPolarHBondContact O-CB 3.34Å; R732-V736 WeakPolarHBondContact O-CG2 3.5Å; R732-V736 PolarHBondContact O-N 2.86Å; H734-V736 PolarHBondContact O-N 2.91Å |
| 737 | I | 59.2 | Low | 60.6 | Low | 4 Ų | 4 | 73.8 Ų | 73.8 | 2% | 0.021 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -139.7 | 35.3 | -167.9 | -37.3 | 176.1 | 0 | 0 | 0 | 111 | N453 N456 R457 Y460 T526 R733 H734 K735 | N453-I737 PolarHBondContact OD1-O 2.88Å; N456-I737 HydrophobicContact CB-CG2 3.41Å; N456-I737 VanDerWaalsContact CB-CG2 3.41Å; R457-I737 HydrophobicContact CB-CD1 4.3Å; R457-I737 HydrophobicContact CG-CB 3.83Å; R457-I737 HydrophobicContact CG-CD1 3.9Å; R457-I737 HydrophobicContact CG-CG1 4.4Å; R457-I737 HydrophobicContact CG-CG2 3.79Å; Y460-I737 HydrophobicContact CD2-CD1 4.31Å; Y460-I737 HydrophobicContact CG-CD1 3.94Å; T526-I737 HydrophobicContact CG2-CG2 4.08Å; R733-I737 WeakPolarHBondContact O-CB 3.39Å; R733-I737 WeakPolarHBondContact O-CD1 3.48Å; R733-I737 VanDerWaalsContact O-CG1 3.26Å; R733-I737 WeakPolarHBondContact O-CG1 3.18Å; H734-I737 CarbonylContact O-C 3.54Å; H734-I737 VanDerWaalsContact O-C 3.29Å; H734-I737 PolarHBondContact O-N 2.95Å; H734-I737 VanDerWaalsContact O-N 3.11Å; K735-I737 PolarHBondContact O-N 2.81Å |
| 738 | E | 58.5 | Low | 61.1 | Low | 95 Ų | 95 | 69.3 Ų | 69.3 | 44% | 0.444 | 37% | 0.37 | S | S | . | . | trans | -96 | 94.5 | 155.4 | -66.3 | -155.4 | 120.5 | 0 | 0 | 108.8 | H734 H740 | H734-E738 IonicContact NE2-OE1 2.72Å; H734-E738 WeakPolarHBondContact O-CG 3.41Å; H734-E738 PolarHBondContact O-N 2.94Å; E738-H740 PolarHBondContact O-N 2.91Å; E738-H740 VanDerWaalsContact O-N 3.12Å; E738-H740 PolarHBondContact O-ND1 3.17Å | ||
| 739 | I | 60.4 | Low | 61.3 | Low | 17 Ų | 17 | 72.5 Ų | 72.5 | 9% | 0.087 | 39% | 0.387 | C | S | . | . | trans | -63.9 | 114.7 | 173.7 | -64 | 167.7 | 0 | 0 | 0 | 108.6 | R452 N453 L524 T526 | R452-I739 HydrophobicContact CB-CD1 3.69Å; R452-I739 HydrophobicContact CG-CD1 3.34Å; N453-I739 WeakPolarHBondContact OD1-CB 3.35Å; N453-I739 VanDerWaalsContact OD1-CD1 3.25Å; N453-I739 WeakPolarHBondContact OD1-CD1 3.21Å; N453-I739 WeakPolarHBondContact OD1-CG1 3.43Å; N453-I739 PolarHBondContact OD1-N 3.45Å; L524-I739 HydrophobicContact CB-CD1 4.27Å; L524-I739 HydrophobicContact CB-CG2 3.71Å; L524-I739 HydrophobicContact CD1-CG2 4.27Å; L524-I739 HydrophobicContact CD2-CG2 3.75Å; L524-I739 HydrophobicContact CG-CG2 4.09Å; T526-I739 HydrophobicContact CG2-CG1 4.07Å | ||
| 740 | H | 56.7 | Low | 61.7 | Low | 143 Ų | 143 | 77.8 Ų | 77.8 | 66% | 0.662 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -86.4 | 154.2 | 165.6 | -69.1 | 64.3 | 0 | 0 | 0 | 109.1 | E738 | E738-H740 PolarHBondContact O-N 2.91Å; E738-H740 VanDerWaalsContact O-N 3.12Å; E738-H740 PolarHBondContact O-ND1 3.17Å |
| 741 | A | 59.8 | Low | 62 | Low | 54 Ų | 54 | 76.1 Ų | 76.1 | 45% | 0.446 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -63.3 | 131.3 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | F445 W520 S743 | F445-A741 HydrophobicContact CZ-CB 3.95Å; W520-A741 HydrophobicContact CZ3-CB 4.14Å; A741-S743 PolarHBondContact O-N 3Å |
| 742 | P | 62 | Low | 62.1 | Low | 33 Ų | 33 | 77.7 Ų | 77.7 | 21% | 0.214 | 40% | 0.401 | C | S | . | . | P | Polyproline II helix | trans | -58.8 | 140.3 | 177.3 | 23.5 | -32.3 | 0 | 0 | 0 | 110 | W520 L747 | W520-P742 HydrophobicContact CB-CG 4.38Å; W520-P742 HydrophobicContact CE3-CG 4.15Å; P742-L747 HydrophobicContact CB-CD1 3.91Å; P742-L747 HydrophobicContact CG-CD1 3.9Å |
| 743 | S | 61.5 | Low | 62.7 | Low | 45 Ų | 45 | 75.1 Ų | 75.1 | 32% | 0.315 | 40% | 0.399 | S | S | . | . | P | Polyproline II helix | trans | -64.6 | 144.2 | -175.3 | 74.3 | 0 | 0 | 0 | 0 | 110.2 | A741 S745 E746 L747 | A741-S743 PolarHBondContact O-N 3Å; S743-S745 PolarHBondContact O-N 2.75Å; S743-E746 PolarHBondContact O-N 2.72Å; S743-E746 VanDerWaalsContact OG-CD 3.31Å; S743-E746 WeakPolarHBondContact OG-CG 3.39Å; S743-E746 PolarHBondContact OG-OE1 3.31Å; S743-L747 WeakPolarHBondContact O-CD1 3.39Å |
| 744 | P | 62.6 | Low | 63.3 | Low | 105 Ų | 105 | 77.6 Ų | 77.6 | 68% | 0.682 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -23.9 | -174.8 | -29.8 | 36.6 | 0 | 0 | 0 | 115.1 | R752 | P744-R752 PolarHBondContact O-NH2 3.39Š|
| 745 | S | 62.4 | Low | 64 | Low | 115 Ų | 115 | 76 Ų | 76 | 80% | 0.804 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -23.3 | 176.5 | -47.2 | 0 | 0 | 0 | 0 | 114.6 | S743 | S743-S745 PolarHBondContact O-N 2.75Š|
| 746 | E | 63.7 | Low | 64.8 | Low | 96 Ų | 96 | 70.9 Ų | 70.9 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -20.3 | -176.3 | -72.3 | 171.7 | -155.8 | 0 | 0 | 113.4 | K527 S743 T748 | K527-E746 VanDerWaalsContact CE-OE2 3.24Å; K527-E746 WeakPolarHBondContact CE-OE2 3.43Å; K527-E746 IonicContact NZ-OE1 3.76Å; K527-E746 PolarHBondContact NZ-OE1 2.73Å; K527-E746 IonicContact NZ-OE2 2.73Å; K527-E746 PolarHBondContact NZ-OE2 3.47Å; S743-E746 PolarHBondContact O-N 2.72Å; S743-E746 VanDerWaalsContact OG-CD 3.31Å; S743-E746 WeakPolarHBondContact OG-CG 3.39Å; S743-E746 PolarHBondContact OG-OE1 3.31Å; E746-T748 PolarHBondContact O-N 3.29Å |
| 747 | L | 63.4 | Low | 65.9 | Low | 24 Ų | 24 | 70.7 Ų | 70.7 | 13% | 0.126 | 39% | 0.393 | C | S | . | . | trans | -68.2 | 118.9 | 176.9 | -75.9 | 70.3 | 0 | 0 | 0 | 110 | W520 P742 S743 D751 R752 | W520-L747 HydrophobicContact CB-CD2 3.68Å; W520-L747 HydrophobicContact CB-CG 4Å; W520-L747 VanDerWaalsContact CD1-CD2 3.5Å; W520-L747 HydrophobicContact CD2-CD2 4.31Å; W520-L747 HydrophobicContact CG-CD2 3.56Å; W520-L747 HydrophobicContact CG-CG 4.38Å; P742-L747 HydrophobicContact CB-CD1 3.91Å; P742-L747 HydrophobicContact CG-CD1 3.9Å; S743-L747 WeakPolarHBondContact O-CD1 3.39Å; L747-D751 HydrophobicContact CB-CB 4.23Å; L747-D751 HydrophobicContact CG-CB 4.31Å; L747-R752 HydrophobicContact CB-CG 4.08Å; L747-R752 HydrophobicContact CD2-CG 4.02Å; L747-R752 PolarHBondContact O-NH2 2.9Å | ||
| 748 | T | 68.5 | Low | 66.9 | Low | 75 Ų | 75 | 73.3 Ų | 73.3 | 46% | 0.46 | 41% | 0.406 | S | S | . | . | trans | -66.3 | 165.1 | 163 | 72.3 | 0 | 0 | 0 | 0 | 110.3 | E746 E750 D751 R752 | E746-T748 PolarHBondContact O-N 3.29Å; T748-E750 PolarHBondContact O-N 2.99Å; T748-E750 PolarHBondContact OG1-N 3.48Å; T748-D751 WeakPolarHBondContact CA-OD2 3.45Å; T748-D751 WeakPolarHBondContact CB-OD2 3.23Å; T748-D751 PolarHBondContact N-OD2 2.84Å; T748-D751 PolarHBondContact O-N 3.2Å; T748-D751 VanDerWaalsContact O-N 3.14Å; T748-D751 PolarHBondContact OG1-N 3.29Å; T748-D751 PolarHBondContact OG1-OD1 3.07Å; T748-D751 PolarHBondContact OG1-OD2 3.18Å; T748-R752 WeakPolarHBondContact O-CG 3.14Å; T748-R752 PolarHBondContact O-N 2.97Å | ||
| 749 | D | 64.3 | Low | 68.1 | Low | 122 Ų | 122 | 72.8 Ų | 72.8 | 65% | 0.652 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | -19.6 | 175.4 | -66.3 | -36.2 | 0 | 0 | 0 | 112.7 | R752 V753 | D749-R752 IonicContact OD1-NH1 3.1Å; D749-R752 PolarHBondContact OD1-NH1 3.29Å; D749-V753 PolarHBondContact O-N 3.49Å |
| 750 | E | 66.2 | Low | 69.2 | Low | 156 Ų | 156 | 72 Ų | 72 | 73% | 0.729 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -37.6 | 170.4 | -62.4 | -169.5 | -170.3 | 0 | 0 | 111.8 | T748 R752 V753 | T748-E750 PolarHBondContact O-N 2.99Å; T748-E750 PolarHBondContact OG1-N 3.48Å; E750-R752 PolarHBondContact O-N 2.84Å; E750-V753 WeakPolarHBondContact O-CB 2.94Å; E750-V753 WeakPolarHBondContact O-CG2 3.47Å; E750-V753 PolarHBondContact O-N 3.49Å; E750-V753 VanDerWaalsContact O-N 3.17Å |
| 751 | D | 67.2 | Low | 70.6 | Confident | 32 Ų | 32 | 65.2 Ų | 65.2 | 17% | 0.171 | 37% | 0.367 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -20.7 | 177.9 | -47.5 | -41.2 | 0 | 0 | 0 | 112.3 | V519 W520 L523 L747 T748 | V519-D751 CarbonylContact C-O 3.59Å; V519-D751 PolarHBondContact N-O 3.2Å; W520-D751 HydrophobicContact CB-CB 4.28Å; W520-D751 PolarHBondContact N-O 2.92Å; L523-D751 HydrophobicContact CD1-CB 4.28Å; L523-D751 WeakPolarHBondContact CD1-OD1 3.36Å; L747-D751 HydrophobicContact CB-CB 4.23Å; L747-D751 HydrophobicContact CG-CB 4.31Å; T748-D751 WeakPolarHBondContact CA-OD2 3.45Å; T748-D751 WeakPolarHBondContact CB-OD2 3.23Å; T748-D751 PolarHBondContact N-OD2 2.84Å; T748-D751 PolarHBondContact O-N 3.2Å; T748-D751 VanDerWaalsContact O-N 3.14Å; T748-D751 PolarHBondContact OG1-N 3.29Å; T748-D751 PolarHBondContact OG1-OD1 3.07Å; T748-D751 PolarHBondContact OG1-OD2 3.18Å |
| 752 | R | 64.7 | Low | 71.9 | Confident | 123 Ų | 123 | 63.5 Ų | 63.5 | 46% | 0.464 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -9.5 | 175.5 | -65.5 | 170.1 | 179.6 | 166 | -1.8 | 113.2 | P744 L747 T748 D749 E750 V754 | P744-R752 PolarHBondContact O-NH2 3.39Å; L747-R752 HydrophobicContact CB-CG 4.08Å; L747-R752 HydrophobicContact CD2-CG 4.02Å; L747-R752 PolarHBondContact O-NH2 2.9Å; T748-R752 WeakPolarHBondContact O-CG 3.14Å; T748-R752 PolarHBondContact O-N 2.97Å; D749-R752 IonicContact OD1-NH1 3.1Å; D749-R752 PolarHBondContact OD1-NH1 3.29Å; E750-R752 PolarHBondContact O-N 2.84Å; R752-V754 PolarHBondContact O-N 3.24Å |
| 753 | V | 73.7 | Confident | 73 | Confident | 74 Ų | 74 | 67.1 Ų | 67.1 | 45% | 0.448 | 36% | 0.363 | S | S | . | . | trans | -59.7 | 137 | 172.7 | 176.6 | 0 | 0 | 0 | 0 | 109.4 | P518 V519 D749 E750 I755 | P518-V753 WeakPolarHBondContact CA-O 3.48Å; V519-V753 HydrophobicContact CG2-CB 4.42Å; V519-V753 VanDerWaalsContact CG2-O 3.31Å; V519-V753 WeakPolarHBondContact CG2-O 3.37Å; V519-V753 PolarHBondContact N-O 3.42Å; D749-V753 PolarHBondContact O-N 3.49Å; E750-V753 WeakPolarHBondContact O-CB 2.94Å; E750-V753 WeakPolarHBondContact O-CG2 3.47Å; E750-V753 PolarHBondContact O-N 3.49Å; E750-V753 VanDerWaalsContact O-N 3.17Å; V753-I755 HydrophobicContact CG1-CG1 4.15Å | ||
| 754 | V | 74.3 | Confident | 74.2 | Confident | 76 Ų | 76 | 65.1 Ų | 65.1 | 46% | 0.461 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 126.2 | 175.6 | -163.1 | 0 | 0 | 0 | 0 | 108.8 | D515 P518 R752 | D515-V754 WeakPolarHBondContact O-CG1 3.4Å; P518-V754 HydrophobicContact CB-CG2 4.48Å; R752-V754 PolarHBondContact O-N 3.24Å |
| 755 | I | 75.9 | Confident | 75.4 | Confident | 18 Ų | 18 | 60.1 Ų | 60.1 | 9% | 0.092 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 148.1 | -173.9 | -73.8 | -168.6 | 0 | 0 | 0 | 110 | I517 V519 V753 E759 K763 | I517-I755 PolarHBondContact N-O 3.12Å; I517-I755 PolarHBondContact O-N 3.49Å; V519-I755 HydrophobicContact CG2-CB 4.29Å; V519-I755 HydrophobicContact CG2-CD1 3.34Å; V519-I755 HydrophobicContact CG2-CG1 3.6Å; V753-I755 HydrophobicContact CG1-CG1 4.15Å; I755-E759 HydrophobicContact CG2-CB 3.37Å; I755-E759 HydrophobicContact CG2-CG 4.45Å; I755-K763 HydrophobicContact CD1-CD 4.38Å |
| 756 | S | 79.9 | Confident | 76.7 | Confident | 43 Ų | 43 | 58.5 Ų | 58.5 | 30% | 0.301 | 30% | 0.295 | S | S | . | . | trans | -62.2 | 147.6 | 178.5 | 76.1 | 0 | 0 | 0 | 0 | 111.8 | E758 E759 A760 | S756-E758 PolarHBondContact O-N 3.47Å; S756-E758 VanDerWaalsContact O-N 3.15Å; S756-E759 WeakPolarHBondContact CB-OE1 3.44Å; S756-E759 PolarHBondContact O-N 2.9Å; S756-E759 VanDerWaalsContact O-N 3.07Å; S756-E759 WeakPolarHBondContact OG-CB 3.48Å; S756-E759 VanDerWaalsContact OG-CD 3.23Å; S756-E759 VanDerWaalsContact OG-CG 3.3Å; S756-E759 WeakPolarHBondContact OG-CG 3.06Å; S756-E759 PolarHBondContact OG-N 3.29Å; S756-E759 PolarHBondContact OG-OE1 3.02Å; S756-A760 PolarHBondContact O-N 3.11Å | ||
| 757 | C | 78.9 | Confident | 77.8 | Confident | 34 Ų | 34 | 56.7 Ų | 56.7 | 23% | 0.23 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -59.6 | -29.2 | -177.8 | -52.3 | 0 | 0 | 0 | 0 | 112.6 | F506 L512 I517 A761 | F506-C757 WeakPolarHBondContact CB-O 3.45Å; F506-C757 WeakPolarHBondContact O-CB 3.38Å; L512-C757 HydrophobicContact CD2-CB 4.36Å; L512-C757 VanDerWaalsContact CD2-SG 3.54Å; I517-C757 HydrophobicContact CD1-CB 4.38Å; C757-A761 PolarHBondContact O-N 3.12Å; C757-A761 VanDerWaalsContact O-N 3.17Å |
| 758 | E | 81.1 | Confident | 78.9 | Confident | 60 Ų | 60 | 55.9 Ų | 55.9 | 28% | 0.28 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -69.1 | -49.3 | 172.3 | -62.3 | -176.7 | 173.5 | 0 | 0 | 112.5 | S756 A760 A761 I762 R789 | S756-E758 PolarHBondContact O-N 3.47Å; S756-E758 VanDerWaalsContact O-N 3.15Å; E758-A760 VanDerWaalsContact C-N 3.3Å; E758-A760 PolarHBondContact O-N 3.06Å; E758-A761 WeakPolarHBondContact O-CB 3.39Å; E758-A761 PolarHBondContact O-N 3.47Å; E758-A761 VanDerWaalsContact O-N 3.15Å; E758-I762 WeakPolarHBondContact O-CG1 3.49Å; E758-I762 PolarHBondContact O-N 2.91Å; E758-R789 WeakPolarHBondContact OE2-CG 3.39Å; E758-R789 IonicContact OE2-CZ 3.21Å; E758-R789 IonicContact OE2-NE 2.72Å; E758-R789 PolarHBondContact OE2-NE 2.93Å; E758-R789 IonicContact OE2-NH2 3.64Å; E758-R789 PolarHBondContact OE2-NH2 3.18Å |
| 759 | E | 83.3 | Confident | 79.9 | Confident | 84 Ų | 84 | 52.5 Ų | 52.5 | 39% | 0.393 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -64.3 | -36.3 | 178.8 | -76.4 | 162.6 | -107.7 | 0 | 0 | 111.6 | I755 S756 I762 K763 | I755-E759 HydrophobicContact CG2-CB 3.37Å; I755-E759 HydrophobicContact CG2-CG 4.45Å; S756-E759 WeakPolarHBondContact CB-OE1 3.44Å; S756-E759 PolarHBondContact O-N 2.9Å; S756-E759 VanDerWaalsContact O-N 3.07Å; S756-E759 WeakPolarHBondContact OG-CB 3.48Å; S756-E759 VanDerWaalsContact OG-CD 3.23Å; S756-E759 VanDerWaalsContact OG-CG 3.3Å; S756-E759 WeakPolarHBondContact OG-CG 3.06Å; S756-E759 PolarHBondContact OG-N 3.29Å; S756-E759 PolarHBondContact OG-OE1 3.02Å; E759-I762 PolarHBondContact O-N 3.46Å; E759-K763 WeakPolarHBondContact O-CB 3.44Å; E759-K763 WeakPolarHBondContact O-CG 3.33Å; E759-K763 PolarHBondContact O-N 3.4Å |
| 760 | A | 83.5 | Confident | 81 | Confident | 0 Ų | 0 | 52.5 Ų | 52.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -44.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F506 I517 L522 S756 E758 K763 V764 | F506-A760 HydrophobicContact CD2-CB 4.14Å; F506-A760 HydrophobicContact CG-CB 4.47Å; I517-A760 HydrophobicContact CD1-CB 3.76Å; L522-A760 HydrophobicContact CD1-CB 3.77Å; L522-A760 HydrophobicContact CD2-CB 4.16Å; S756-A760 PolarHBondContact O-N 3.11Å; E758-A760 VanDerWaalsContact C-N 3.3Å; E758-A760 PolarHBondContact O-N 3.06Å; A760-K763 PolarHBondContact O-N 2.91Å; A760-V764 WeakPolarHBondContact O-CG2 3.41Å; A760-V764 PolarHBondContact O-N 3.37Å; A760-V764 VanDerWaalsContact O-N 3.08Å |
| 761 | A | 85.8 | Confident | 81.9 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63.8 | -42.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A503 F506 C757 E758 V764 L765 I785 | A503-A761 HydrophobicContact CB-CB 4.04Å; A503-A761 WeakPolarHBondContact O-CB 3.48Å; F506-A761 HydrophobicContact CB-CB 4.18Å; C757-A761 PolarHBondContact O-N 3.12Å; C757-A761 VanDerWaalsContact O-N 3.17Å; E758-A761 WeakPolarHBondContact O-CB 3.39Å; E758-A761 PolarHBondContact O-N 3.47Å; E758-A761 VanDerWaalsContact O-N 3.15Å; A761-V764 PolarHBondContact O-N 3.48Å; A761-L765 WeakPolarHBondContact O-CG 3.31Å; A761-L765 PolarHBondContact O-N 3.33Å; A761-I785 HydrophobicContact CB-CD1 3.81Å |
| 762 | I | 87.1 | Confident | 82.7 | Confident | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.097 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -42.5 | 177.4 | -70.8 | 166.1 | 0 | 0 | 0 | 111.2 | E758 E759 L765 K766 L782 I785 I786 | E758-I762 WeakPolarHBondContact O-CG1 3.49Å; E758-I762 PolarHBondContact O-N 2.91Å; E759-I762 PolarHBondContact O-N 3.46Å; I762-L765 PolarHBondContact O-N 2.89Å; I762-K766 HydrophobicContact CG2-CD 4.33Å; I762-K766 HydrophobicContact CG2-CG 4.49Å; I762-K766 WeakPolarHBondContact O-CG 3.08Å; I762-K766 PolarHBondContact O-N 3.17Å; I762-L782 HydrophobicContact CB-CD1 4.35Å; I762-L782 HydrophobicContact CG1-CD1 4.08Å; I762-L782 HydrophobicContact CG2-CD1 4.02Å; I762-I785 HydrophobicContact CD1-CG2 4.26Å; I762-I785 HydrophobicContact CG1-CG2 3.94Å; I762-I786 HydrophobicContact CD1-CD1 4.35Å; I762-I786 HydrophobicContact CD1-CG1 3.84Å; I762-I786 HydrophobicContact CG1-CG1 4.31Å |
| 763 | K | 85.8 | Confident | 83.7 | Confident | 108 Ų | 108 | 43.8 Ų | 43.8 | 47% | 0.47 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -59.8 | -47.1 | 175 | -79.1 | -173.2 | 176.2 | -167.4 | 0 | 111.4 | I755 E759 A760 L765 K766 E767 | I755-K763 HydrophobicContact CD1-CD 4.38Å; E759-K763 WeakPolarHBondContact O-CB 3.44Å; E759-K763 WeakPolarHBondContact O-CG 3.33Å; E759-K763 PolarHBondContact O-N 3.4Å; A760-K763 PolarHBondContact O-N 2.91Å; K763-L765 VanDerWaalsContact C-N 3.33Å; K763-L765 PolarHBondContact O-N 3.42Å; K763-K766 PolarHBondContact O-N 2.85Å; K763-E767 WeakPolarHBondContact O-CB 3.23Å; K763-E767 PolarHBondContact O-N 2.88Å |
| 764 | V | 86.4 | Confident | 84.1 | Confident | 4 Ų | 4 | 48.4 Ų | 48.4 | 2% | 0.024 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.9 | -37.5 | 176.6 | 167.8 | 0 | 0 | 0 | 0 | 112.3 | A499 L502 A503 F506 L522 A760 A761 A768 | A499-V764 HydrophobicContact CB-CG1 4.23Å; L502-V764 HydrophobicContact CB-CG1 4.34Å; L502-V764 HydrophobicContact CD2-CG1 4.1Å; L502-V764 HydrophobicContact CD2-CG2 4.25Å; L502-V764 HydrophobicContact CG-CG1 4.31Å; A503-V764 HydrophobicContact CB-CG1 4.46Å; F506-V764 HydrophobicContact CE2-CG2 4.09Å; L522-V764 HydrophobicContact CD2-CG2 4.34Å; A760-V764 WeakPolarHBondContact O-CG2 3.41Å; A760-V764 PolarHBondContact O-N 3.37Å; A760-V764 VanDerWaalsContact O-N 3.08Å; A761-V764 PolarHBondContact O-N 3.48Å; V764-A768 VanDerWaalsContact O-CB 3.31Å; V764-A768 WeakPolarHBondContact O-CB 3.17Å; V764-A768 PolarHBondContact O-N 3.08Å |
| 765 | L | 87.8 | Confident | 84.5 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -71 | -40.3 | 175.9 | -73.8 | 175.6 | 0 | 0 | 0 | 112.8 | A503 A761 I762 K763 A768 I769 L778 Q781 L782 I785 | A503-L765 HydrophobicContact CB-CD1 3.99Å; A503-L765 HydrophobicContact CB-CD2 3.93Å; A503-L765 HydrophobicContact CB-CG 3.61Å; A761-L765 WeakPolarHBondContact O-CG 3.31Å; A761-L765 PolarHBondContact O-N 3.33Å; I762-L765 PolarHBondContact O-N 2.89Å; K763-L765 VanDerWaalsContact C-N 3.33Å; K763-L765 PolarHBondContact O-N 3.42Å; L765-A768 PolarHBondContact O-N 3.44Å; L765-I769 VanDerWaalsContact O-CG1 3.25Å; L765-I769 WeakPolarHBondContact O-CG1 3.39Å; L765-I769 PolarHBondContact O-N 3.12Å; L765-L778 HydrophobicContact CD2-CD2 3.98Å; L765-Q781 HydrophobicContact CD1-CB 4.15Å; L765-Q781 HydrophobicContact CD2-CB 4.31Å; L765-L782 HydrophobicContact CB-CD1 4.24Å; L765-L782 HydrophobicContact CD1-CB 4.09Å; L765-L782 HydrophobicContact CD1-CD1 4.36Å; L765-I785 HydrophobicContact CD1-CD1 3.86Å |
| 766 | K | 88.6 | Confident | 84.9 | Confident | 81 Ų | 81 | 48.4 Ų | 48.4 | 35% | 0.352 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.7 | -50.4 | 174 | -72.3 | -172.5 | 176.5 | -171.4 | 0 | 110.6 | I762 K763 A768 I769 D770 | I762-K766 HydrophobicContact CG2-CD 4.33Å; I762-K766 HydrophobicContact CG2-CG 4.49Å; I762-K766 WeakPolarHBondContact O-CG 3.08Å; I762-K766 PolarHBondContact O-N 3.17Å; K763-K766 PolarHBondContact O-N 2.85Å; K766-A768 PolarHBondContact O-N 2.93Å; K766-A768 VanDerWaalsContact O-N 3.13Å; K766-I769 PolarHBondContact O-N 3.13Å; K766-D770 PolarHBondContact O-N 3.12Å; K766-D770 VanDerWaalsContact O-OD2 3.12Å |
| 767 | E | 87.3 | Confident | 85.1 | Confident | 58 Ų | 58 | 48.6 Ų | 48.6 | 27% | 0.271 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.5 | -32.1 | 175.5 | -165.7 | -144.1 | 111 | 0 | 0 | 113.4 | R452 R459 K763 Y771 | R452-E767 IonicContact CZ-OE1 2.94Å; R452-E767 IonicContact CZ-OE2 2.69Å; R452-E767 VanDerWaalsContact CZ-OE2 3.25Å; R452-E767 IonicContact NH1-OE1 3.61Å; R452-E767 PolarHBondContact NH1-OE1 3.14Å; R452-E767 IonicContact NH1-OE2 3.59Å; R452-E767 PolarHBondContact NH1-OE2 3.13Å; R452-E767 IonicContact NH2-OE1 3.6Å; R452-E767 IonicContact NH2-OE2 2.92Å; R452-E767 PolarHBondContact NH2-OE2 2.67Å; R459-E767 IonicContact CZ-OE1 2.76Å; R459-E767 IonicContact NH1-OE1 2.71Å; R459-E767 PolarHBondContact NH1-OE1 3.33Å; R459-E767 PolarHBondContact NH2-O 3.34Å; R459-E767 IonicContact NH2-OE1 2.75Å; R459-E767 PolarHBondContact NH2-OE1 3.48Å; K763-E767 WeakPolarHBondContact O-CB 3.23Å; K763-E767 PolarHBondContact O-N 2.88Å; E767-Y771 PolarHBondContact O-N 3.34Å |
| 768 | A | 86.7 | Confident | 85.5 | Confident | 6 Ų | 6 | 47 Ų | 47 | 5% | 0.05 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -78.1 | -35.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | A499 V764 L765 K766 Y771 D772 L778 | A499-A768 HydrophobicContact CB-CB 3.57Å; V764-A768 VanDerWaalsContact O-CB 3.31Å; V764-A768 WeakPolarHBondContact O-CB 3.17Å; V764-A768 PolarHBondContact O-N 3.08Å; L765-A768 PolarHBondContact O-N 3.44Å; K766-A768 PolarHBondContact O-N 2.93Å; K766-A768 VanDerWaalsContact O-N 3.13Å; A768-Y771 PolarHBondContact O-N 3.45Å; A768-D772 PolarHBondContact O-N 3.39Å; A768-L778 HydrophobicContact CB-CD1 3.74Å; A768-L778 HydrophobicContact CB-CD2 4.04Å; A768-L778 WeakPolarHBondContact O-CD1 3Å |
| 769 | I | 88.5 | Confident | 85.8 | Confident | 5 Ų | 5 | 44.4 Ų | 44.4 | 3% | 0.026 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.6 | -43 | 175.4 | -70.6 | 164.2 | 0 | 0 | 0 | 110.2 | L765 K766 Y771 D772 P773 L778 Y779 L782 L803 | L765-I769 VanDerWaalsContact O-CG1 3.25Å; L765-I769 WeakPolarHBondContact O-CG1 3.39Å; L765-I769 PolarHBondContact O-N 3.12Å; K766-I769 PolarHBondContact O-N 3.13Å; I769-Y771 PolarHBondContact O-N 3Å; I769-D772 CarbonylContact O-C 3.48Å; I769-D772 PolarHBondContact O-N 3.12Å; I769-D772 VanDerWaalsContact O-N 3.14Å; I769-P773 WeakPolarHBondContact O-CA 3.45Å; I769-P773 WeakPolarHBondContact O-CD 3.49Å; I769-P773 VanDerWaalsContact O-CG 3.27Å; I769-P773 WeakPolarHBondContact O-CG 3.32Å; I769-L778 HydrophobicContact CD1-CB 4.12Å; I769-L778 HydrophobicContact CG1-CB 3.5Å; I769-L778 VanDerWaalsContact CG1-CB 3.5Å; I769-L778 HydrophobicContact CG1-CD1 4.11Å; I769-L778 HydrophobicContact CG1-CG 4.46Å; I769-Y779 HydrophobicContact CD1-CD1 4.17Å; I769-Y779 HydrophobicContact CD1-CE1 4.4Å; I769-Y779 HydrophobicContact CD1-CG 4.38Å; I769-Y779 HydrophobicContact CG2-CE1 3.71Å; I769-Y779 HydrophobicContact CG2-CE2 4.13Å; I769-Y779 VanDerWaalsContact CG2-CZ 3.49Å; I769-Y779 WeakPolarHBondContact CG2-OH 3.42Å; I769-L782 HydrophobicContact CD1-CD2 3.88Å; I769-L803 HydrophobicContact CD1-CD2 4.04Å; I769-L803 HydrophobicContact CG2-CD2 4.31Å |
| 770 | D | 88.4 | Confident | 86 | Confident | 122 Ų | 122 | 41.6 Ų | 41.6 | 65% | 0.652 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -59.8 | -34.1 | 177 | -59.9 | -31.9 | 0 | 0 | 0 | 111.2 | K766 | K766-D770 PolarHBondContact O-N 3.12Å; K766-D770 VanDerWaalsContact O-OD2 3.12Å |
| 771 | Y | 85.9 | Confident | 86.2 | Confident | 67 Ų | 67 | 43 Ų | 43 | 26% | 0.263 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -78.7 | -32.3 | 175.3 | -174.6 | -100.5 | 0 | 0 | 0 | 114.2 | R459 V462 R492 E767 A768 I769 | R459-Y771 HydrophobicContact CG-CD1 4.34Å; R459-Y771 HydrophobicContact CG-CE1 3.79Å; R459-Y771 HydrophobicContact CG-CE2 3.99Å; V462-Y771 WeakPolarHBondContact CB-OH 3.29Å; V462-Y771 WeakPolarHBondContact CG1-OH 3.47Å; R492-Y771 HydrophobicContact CG-CD1 4.34Å; R492-Y771 HydrophobicContact CG-CE1 3.85Å; E767-Y771 PolarHBondContact O-N 3.34Å; A768-Y771 PolarHBondContact O-N 3.45Å; I769-Y771 PolarHBondContact O-N 3Å |
| 772 | D | 84 | Confident | 86.4 | Confident | 14 Ų | 14 | 43 Ų | 43 | 8% | 0.075 | 20% | 0.201 | C | C | . | . | trans | -138.4 | 78.6 | 174 | -166 | 17 | 0 | 0 | 0 | 114.2 | R492 A768 I769 R774 N775 | R492-D772 WeakPolarHBondContact CD-OD1 3.49Å; R492-D772 WeakPolarHBondContact CD-OD2 3.5Å; R492-D772 HydrophobicContact CG-CB 3.83Å; R492-D772 IonicContact NH1-OD1 2.77Å; A768-D772 PolarHBondContact O-N 3.39Å; I769-D772 CarbonylContact O-C 3.48Å; I769-D772 PolarHBondContact O-N 3.12Å; I769-D772 VanDerWaalsContact O-N 3.14Å; D772-R774 PolarHBondContact O-N 3.38Å; D772-N775 HydrophobicContact CB-CB 4.32Å; D772-N775 PolarHBondContact O-N 3.45Å | ||
| 773 | P | 85.6 | Confident | 86.4 | Confident | 46 Ų | 46 | 42 Ų | 42 | 30% | 0.299 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 8.5 | -179 | -22.4 | 33.3 | 0 | 0 | 0 | 115.6 | I769 Y779 V809 | I769-P773 WeakPolarHBondContact O-CA 3.45Å; I769-P773 WeakPolarHBondContact O-CD 3.49Å; I769-P773 VanDerWaalsContact O-CG 3.27Å; I769-P773 WeakPolarHBondContact O-CG 3.32Å; P773-Y779 WeakPolarHBondContact CA-OH 3.2Å; P773-Y779 PolarHBondContact O-OH 2.76Å; P773-V809 HydrophobicContact CB-CG2 4.12Å; P773-V809 PolarHBondContact O-N 3.19Å |
| 774 | R | 82.3 | Confident | 86.5 | Confident | 172 Ų | 172 | 40 Ų | 40 | 65% | 0.649 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.6 | -9.5 | 177.6 | -60.8 | -179.3 | -178 | 174.7 | 2.5 | 112.6 | D772 E776 L810 | D772-R774 PolarHBondContact O-N 3.38Å; R774-E776 PolarHBondContact O-N 3.37Å; R774-L810 WeakPolarHBondContact O-CD2 3.36Å |
| 775 | N | 82.4 | Confident | 86.5 | Confident | 20 Ų | 20 | 40.1 Ų | 40.1 | 11% | 0.107 | 19% | 0.191 | C | C | . | . | trans | -88.4 | 88 | -173.8 | -168.6 | -21 | 0 | 0 | 0 | 111.8 | D772 R777 L778 Y779 | D772-N775 HydrophobicContact CB-CB 4.32Å; D772-N775 PolarHBondContact O-N 3.45Å; N775-R777 PolarHBondContact O-N 3.04Å; N775-R777 WeakPolarHBondContact OD1-CB 3.42Å; N775-R777 PolarHBondContact OD1-N 2.92Å; N775-L778 HydrophobicContact CB-CD1 3.97Å; N775-L778 HydrophobicContact CB-CG 4.16Å; N775-L778 PolarHBondContact O-N 3.07Å; N775-Y779 WeakPolarHBondContact O-CD2 3.47Å | ||
| 776 | E | 84.5 | Confident | 86.4 | Confident | 73 Ų | 73 | 40.5 Ų | 40.5 | 34% | 0.341 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -44.9 | -30.9 | 177.8 | 65.1 | -178.5 | -165.1 | 0 | 0 | 114.6 | R774 L778 Y779 A780 L810 I814 | R774-E776 PolarHBondContact O-N 3.37Å; E776-L778 VanDerWaalsContact C-N 3.33Å; E776-L778 PolarHBondContact O-N 3.13Å; E776-Y779 PolarHBondContact O-N 3.43Å; E776-A780 PolarHBondContact O-N 2.84Å; E776-L810 HydrophobicContact CB-CD2 4.14Å; E776-I814 HydrophobicContact CB-CG2 4.07Å; E776-I814 WeakPolarHBondContact OE2-CD1 3.39Å; E776-I814 WeakPolarHBondContact OE2-CG1 3.31Å |
| 777 | R | 83.2 | Confident | 86.4 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 18% | 0.181 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -70.5 | -29.8 | -176.1 | -56.7 | -168.7 | -171.2 | -177.9 | 11.4 | 112.6 | N775 Q781 T911 D912 A915 | N775-R777 PolarHBondContact O-N 3.04Å; N775-R777 WeakPolarHBondContact OD1-CB 3.42Å; N775-R777 PolarHBondContact OD1-N 2.92Å; R777-Q781 WeakPolarHBondContact O-CB 3.45Å; R777-Q781 VanDerWaalsContact O-CD 3.22Å; R777-Q781 WeakPolarHBondContact O-CG 3.38Å; R777-Q781 PolarHBondContact O-N 3.07Å; R777-Q781 PolarHBondContact O-NE2 2.79Å; R777-Q781 VanDerWaalsContact O-NE2 3.12Å; R777-T911 PolarHBondContact NH1-O 3.45Å; R777-T911 PolarHBondContact NH2-O 2.9Å; R777-T911 PolarHBondContact NH2-OG1 3.29Å; R777-D912 IonicContact CZ-OD1 3.71Å; R777-D912 IonicContact NH1-OD1 2.84Å; R777-D912 PolarHBondContact NH1-OD1 2.93Å; R777-A915 VanDerWaalsContact NH2-CB 3.31Å |
| 778 | L | 86.9 | Confident | 86.3 | Confident | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -69.9 | -45.4 | 177.5 | -61.8 | 176.2 | 0 | 0 | 0 | 110.5 | G496 L765 A768 I769 N775 E776 A780 Q781 L782 | G496-L778 WeakPolarHBondContact O-CD2 3.37Å; L765-L778 HydrophobicContact CD2-CD2 3.98Å; A768-L778 HydrophobicContact CB-CD1 3.74Å; A768-L778 HydrophobicContact CB-CD2 4.04Å; A768-L778 WeakPolarHBondContact O-CD1 3Å; I769-L778 HydrophobicContact CD1-CB 4.12Å; I769-L778 HydrophobicContact CG1-CB 3.5Å; I769-L778 VanDerWaalsContact CG1-CB 3.5Å; I769-L778 HydrophobicContact CG1-CD1 4.11Å; I769-L778 HydrophobicContact CG1-CG 4.46Å; N775-L778 HydrophobicContact CB-CD1 3.97Å; N775-L778 HydrophobicContact CB-CG 4.16Å; N775-L778 PolarHBondContact O-N 3.07Å; E776-L778 VanDerWaalsContact C-N 3.33Å; E776-L778 PolarHBondContact O-N 3.13Å; L778-A780 PolarHBondContact O-N 3.3Å; L778-Q781 PolarHBondContact O-N 3.23Å; L778-L782 WeakPolarHBondContact O-CB 3.4Å; L778-L782 PolarHBondContact O-N 3.27Å |
| 779 | Y | 88.9 | Confident | 86 | Confident | 5 Ų | 5 | 44 Ų | 44 | 2% | 0.02 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.2 | -43.7 | 173 | -62.4 | -88.4 | 0 | 0 | 0 | 112 | I769 P773 N775 E776 L782 L783 L803 A804 S808 L810 | I769-Y779 HydrophobicContact CD1-CD1 4.17Å; I769-Y779 HydrophobicContact CD1-CE1 4.4Å; I769-Y779 HydrophobicContact CD1-CG 4.38Å; I769-Y779 HydrophobicContact CG2-CE1 3.71Å; I769-Y779 HydrophobicContact CG2-CE2 4.13Å; I769-Y779 VanDerWaalsContact CG2-CZ 3.49Å; I769-Y779 WeakPolarHBondContact CG2-OH 3.42Å; P773-Y779 WeakPolarHBondContact CA-OH 3.2Å; P773-Y779 PolarHBondContact O-OH 2.76Å; N775-Y779 WeakPolarHBondContact O-CD2 3.47Å; E776-Y779 PolarHBondContact O-N 3.43Å; Y779-L782 PolarHBondContact O-N 3.45Å; Y779-L783 PolarHBondContact O-N 3.14Å; Y779-L783 VanDerWaalsContact O-N 3.1Å; Y779-L803 HydrophobicContact CD1-CD2 3.69Å; Y779-L803 HydrophobicContact CE1-CD2 3.54Å; Y779-L803 HydrophobicContact CE1-CG 4.36Å; Y779-L803 VanDerWaalsContact CE1-O 3.29Å; Y779-L803 WeakPolarHBondContact CE1-O 3.48Å; Y779-A804 HydrophobicContact CD1-CB 3.7Å; Y779-A804 HydrophobicContact CG-CB 4.19Å; Y779-S808 WeakPolarHBondContact OH-CB 3.35Å; Y779-L810 HydrophobicContact CD2-CD1 3.73Å; Y779-L810 HydrophobicContact CD2-CD2 4.48Å; Y779-L810 HydrophobicContact CD2-CG 4.45Å; Y779-L810 HydrophobicContact CE2-CD1 3.88Å; Y779-L810 HydrophobicContact CE2-CD2 4.25Å; Y779-L810 HydrophobicContact CE2-CG 4.17Å; Y779-L810 HydrophobicContact CG-CD1 4.09Å |
| 780 | A | 87.3 | Confident | 85.6 | Confident | 25 Ų | 25 | 51.5 Ų | 51.5 | 21% | 0.207 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.3 | -46.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E776 L778 L782 L783 D784 F818 | E776-A780 PolarHBondContact O-N 2.84Å; L778-A780 PolarHBondContact O-N 3.3Å; A780-L782 VanDerWaalsContact C-N 3.33Å; A780-L782 PolarHBondContact O-N 2.98Å; A780-L783 PolarHBondContact O-N 3.42Å; A780-D784 WeakPolarHBondContact O-CB 3.35Å; A780-D784 PolarHBondContact O-N 3Å; A780-F818 HydrophobicContact CB-CE1 4.09Å; A780-F818 HydrophobicContact CB-CZ 4.12Å |
| 781 | Q | 86.7 | Confident | 85.3 | Confident | 28 Ų | 28 | 51.5 Ų | 51.5 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -67.3 | -33.1 | 179.2 | -70.5 | 161.7 | 45.2 | 0 | 0 | 112.6 | L765 R777 L778 D784 I785 | L765-Q781 HydrophobicContact CD1-CB 4.15Å; L765-Q781 HydrophobicContact CD2-CB 4.31Å; R777-Q781 WeakPolarHBondContact O-CB 3.45Å; R777-Q781 VanDerWaalsContact O-CD 3.22Å; R777-Q781 WeakPolarHBondContact O-CG 3.38Å; R777-Q781 PolarHBondContact O-N 3.07Å; R777-Q781 PolarHBondContact O-NE2 2.79Å; R777-Q781 VanDerWaalsContact O-NE2 3.12Å; L778-Q781 PolarHBondContact O-N 3.23Å; Q781-D784 PolarHBondContact O-N 3.04Å; Q781-I785 WeakPolarHBondContact O-CB 3.41Å; Q781-I785 WeakPolarHBondContact O-CG1 3.5Å; Q781-I785 PolarHBondContact O-N 3.07Å |
| 782 | L | 89.2 | Confident | 85.2 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.1 | -46.6 | 174.9 | 180 | 63.7 | 0 | 0 | 0 | 110.8 | I762 L765 I769 L778 Y779 A780 I785 I786 A800 L803 | I762-L782 HydrophobicContact CB-CD1 4.35Å; I762-L782 HydrophobicContact CG1-CD1 4.08Å; I762-L782 HydrophobicContact CG2-CD1 4.02Å; L765-L782 HydrophobicContact CB-CD1 4.24Å; L765-L782 HydrophobicContact CD1-CB 4.09Å; L765-L782 HydrophobicContact CD1-CD1 4.36Å; I769-L782 HydrophobicContact CD1-CD2 3.88Å; L778-L782 WeakPolarHBondContact O-CB 3.4Å; L778-L782 PolarHBondContact O-N 3.27Å; Y779-L782 PolarHBondContact O-N 3.45Å; A780-L782 VanDerWaalsContact C-N 3.33Å; A780-L782 PolarHBondContact O-N 2.98Å; L782-I785 PolarHBondContact O-N 3.04Å; L782-I786 HydrophobicContact CD1-CD1 3.79Å; L782-I786 HydrophobicContact CG-CD1 3.97Å; L782-I786 WeakPolarHBondContact O-CG1 3.35Å; L782-I786 PolarHBondContact O-N 3.33Å; L782-A800 HydrophobicContact CD2-CB 3.95Å; L782-A800 HydrophobicContact CG-CB 3.98Å; L782-L803 HydrophobicContact CD2-CD2 4.06Å |
| 783 | L | 88.4 | Confident | 85.2 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -40.3 | 174.8 | -73.9 | 167 | 0 | 0 | 0 | 112.6 | Y779 A780 I785 I786 Y787 F797 A800 A801 F818 | Y779-L783 PolarHBondContact O-N 3.14Å; Y779-L783 VanDerWaalsContact O-N 3.1Å; A780-L783 PolarHBondContact O-N 3.42Å; L783-I785 VanDerWaalsContact C-N 3.32Å; L783-I785 PolarHBondContact O-N 3.15Å; L783-I786 PolarHBondContact O-N 2.86Å; L783-Y787 VanDerWaalsContact O-CB 3.24Å; L783-Y787 WeakPolarHBondContact O-CB 3.5Å; L783-Y787 PolarHBondContact O-N 3.35Å; L783-F797 HydrophobicContact CB-CE2 4.18Å; L783-F797 HydrophobicContact CD2-CD1 4.37Å; L783-F797 HydrophobicContact CD2-CD2 3.92Å; L783-F797 HydrophobicContact CD2-CE1 4.12Å; L783-F797 HydrophobicContact CD2-CE2 3.63Å; L783-F797 HydrophobicContact CD2-CG 4.29Å; L783-F797 HydrophobicContact CD2-CZ 3.76Å; L783-A800 HydrophobicContact CD2-CB 3.79Å; L783-A800 HydrophobicContact CG-CB 4.34Å; L783-A801 HydrophobicContact CD2-CB 4.07Å; L783-F818 HydrophobicContact CD1-CD1 3.4Å; L783-F818 VanDerWaalsContact CD1-CD1 3.4Å; L783-F818 HydrophobicContact CD1-CE1 3.77Å; L783-F818 HydrophobicContact CD1-CG 4.42Å |
| 784 | D | 88.1 | Confident | 85.3 | Confident | 64 Ų | 64 | 52 Ų | 52 | 34% | 0.342 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.4 | -39.9 | 177.2 | -67.1 | -18.3 | 0 | 0 | 0 | 111.5 | A780 Q781 Q788 R821 | A780-D784 WeakPolarHBondContact O-CB 3.35Å; A780-D784 PolarHBondContact O-N 3Å; Q781-D784 PolarHBondContact O-N 3.04Å; D784-Q788 WeakPolarHBondContact O-CG 3.41Å; D784-Q788 PolarHBondContact O-N 3.15Å; D784-Q788 PolarHBondContact O-NE2 3.44Å; D784-R821 IonicContact OD1-CZ 3.65Å; D784-R821 IonicContact OD1-NH1 3.32Å; D784-R821 PolarHBondContact OD1-NH1 3.17Å; D784-R821 IonicContact OD1-NH2 2.8Å; D784-R821 PolarHBondContact OD1-NH2 2.92Å |
| 785 | I | 85.3 | Confident | 85.6 | Confident | 7 Ų | 7 | 48.4 Ų | 48.4 | 4% | 0.036 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -66.2 | -49.3 | 174.7 | -76.5 | -175.6 | 0 | 0 | 0 | 111.1 | A503 H507 A761 I762 L765 Q781 L782 L783 Y787 Q788 | A503-I785 HydrophobicContact CB-CD1 4.35Å; H507-I785 HydrophobicContact CB-CD1 4.16Å; H507-I785 HydrophobicContact CB-CG1 4.44Å; H507-I785 VanDerWaalsContact CD2-CG1 3.5Å; H507-I785 WeakPolarHBondContact CD2-CG1 3.43Å; A761-I785 HydrophobicContact CB-CD1 3.81Å; I762-I785 HydrophobicContact CD1-CG2 4.26Å; I762-I785 HydrophobicContact CG1-CG2 3.94Å; L765-I785 HydrophobicContact CD1-CD1 3.86Å; Q781-I785 WeakPolarHBondContact O-CB 3.41Å; Q781-I785 WeakPolarHBondContact O-CG1 3.5Å; Q781-I785 PolarHBondContact O-N 3.07Å; L782-I785 PolarHBondContact O-N 3.04Å; L783-I785 VanDerWaalsContact C-N 3.32Å; L783-I785 PolarHBondContact O-N 3.15Å; I785-Y787 VanDerWaalsContact C-N 3.31Å; I785-Y787 PolarHBondContact O-N 3.44Å; I785-Q788 PolarHBondContact O-N 2.8Å |
| 786 | I | 86.7 | Confident | 85.8 | Confident | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.041 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -67.5 | -33.2 | -176.1 | -66.4 | 165.6 | 0 | 0 | 0 | 111.6 | I762 L782 L783 Q788 R789 D793 F797 A800 | I762-I786 HydrophobicContact CD1-CD1 4.35Å; I762-I786 HydrophobicContact CD1-CG1 3.84Å; I762-I786 HydrophobicContact CG1-CG1 4.31Å; L782-I786 HydrophobicContact CD1-CD1 3.79Å; L782-I786 HydrophobicContact CG-CD1 3.97Å; L782-I786 WeakPolarHBondContact O-CG1 3.35Å; L782-I786 PolarHBondContact O-N 3.33Å; L783-I786 PolarHBondContact O-N 2.86Å; I786-Q788 VanDerWaalsContact C-N 3.25Å; I786-Q788 PolarHBondContact O-N 2.96Å; I786-R789 WeakPolarHBondContact O-CB 3.49Å; I786-R789 VanDerWaalsContact O-CG 3.32Å; I786-R789 WeakPolarHBondContact O-CG 3.42Å; I786-R789 PolarHBondContact O-N 3.28Å; I786-D793 HydrophobicContact CG2-CB 4.43Å; I786-F797 HydrophobicContact CB-CD2 4.49Å; I786-F797 HydrophobicContact CG2-CB 3.88Å; I786-F797 HydrophobicContact CG2-CD2 4.19Å; I786-A800 HydrophobicContact CD1-CB 3.55Å |
| 787 | Y | 87.4 | Confident | 86 | Confident | 80 Ų | 80 | 44.6 Ų | 44.6 | 31% | 0.314 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -61.7 | -30.3 | 172.2 | -172.9 | -88.3 | 0 | 0 | 0 | 113.6 | L783 I785 R789 R790 F797 F825 E828 F829 | L783-Y787 VanDerWaalsContact O-CB 3.24Å; L783-Y787 WeakPolarHBondContact O-CB 3.5Å; L783-Y787 PolarHBondContact O-N 3.35Å; I785-Y787 VanDerWaalsContact C-N 3.31Å; I785-Y787 PolarHBondContact O-N 3.44Å; Y787-R789 VanDerWaalsContact C-N 3.33Å; Y787-R790 PolarHBondContact O-NH1 2.98Å; Y787-F797 HydrophobicContact CD2-CE2 4.14Å; Y787-F825 AromaticContact CD2-CD2 3.68Å; Y787-F825 HydrophobicContact CD2-CD2 3.68Å; Y787-F825 HydrophobicContact CD2-CE2 4.09Å; Y787-F825 AromaticContact CE2-CD2 3.9Å; Y787-F825 HydrophobicContact CE2-CD2 3.9Å; Y787-F825 HydrophobicContact CE2-CE2 4.5Å; Y787-E828 PolarHBondContact OH-OE2 3.35Å; Y787-E828 VanDerWaalsContact OH-OE2 3.1Å; Y787-F829 AromaticContact CE2-CE2 3.84Å; Y787-F829 HydrophobicContact CE2-CE2 3.84Å |
| 788 | Q | 85.4 | Confident | 86.3 | Confident | 96 Ų | 96 | 43.4 Ų | 43.4 | 45% | 0.449 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -79.4 | -12.6 | -179.4 | -78.1 | 168.6 | 91.5 | 0 | 0 | 113.5 | H507 D784 I785 I786 | H507-Q788 PolarHBondContact CE1-OE1 2.87Å; D784-Q788 WeakPolarHBondContact O-CG 3.41Å; D784-Q788 PolarHBondContact O-N 3.15Å; D784-Q788 PolarHBondContact O-NE2 3.44Å; I785-Q788 PolarHBondContact O-N 2.8Å; I786-Q788 VanDerWaalsContact C-N 3.25Å; I786-Q788 PolarHBondContact O-N 2.96Å |
| 789 | R | 81.8 | Confident | 86.4 | Confident | 42 Ų | 42 | 49 Ų | 49 | 16% | 0.158 | 24% | 0.243 | C | C | . | . | trans | -57.2 | 143.9 | -178.7 | -65.2 | -171 | 121.7 | 175.8 | 0.3 | 113.2 | E758 I786 Y787 P791 D793 | E758-R789 WeakPolarHBondContact OE2-CG 3.39Å; E758-R789 IonicContact OE2-CZ 3.21Å; E758-R789 IonicContact OE2-NE 2.72Å; E758-R789 PolarHBondContact OE2-NE 2.93Å; E758-R789 IonicContact OE2-NH2 3.64Å; E758-R789 PolarHBondContact OE2-NH2 3.18Å; I786-R789 WeakPolarHBondContact O-CB 3.49Å; I786-R789 VanDerWaalsContact O-CG 3.32Å; I786-R789 WeakPolarHBondContact O-CG 3.42Å; I786-R789 PolarHBondContact O-N 3.28Å; Y787-R789 VanDerWaalsContact C-N 3.33Å; R789-P791 CarbonylContact C-O 3.59Å; R789-P791 CarbonylContact O-C 3.58Å; R789-D793 HydrophobicContact CB-CB 4.34Å; R789-D793 IonicContact CZ-OD2 3.36Å; R789-D793 IonicContact NH1-OD2 3.97Å; R789-D793 PolarHBondContact NH1-OD2 2.91Å | ||
| 790 | R | 79.8 | Confident | 86.3 | Confident | 164 Ų | 164 | 48.9 Ų | 48.9 | 62% | 0.619 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -136.2 | 111.7 | 176 | -64.5 | -62.9 | 178.3 | -104.2 | 8.6 | 109.4 | Y787 | Y787-R790 PolarHBondContact O-NH1 2.98Š|
| 791 | P | 80.9 | Confident | 86.4 | Confident | 121 Ų | 121 | 47.7 Ų | 47.7 | 79% | 0.786 | 23% | 0.234 | S | C | * | . | S | Bend | cis | -64.1 | 165 | 3 | 29.5 | -37.1 | 0 | 0 | 0 | 113.9 | R789 D793 | R789-P791 CarbonylContact C-O 3.59Å; R789-P791 CarbonylContact O-C 3.58Å; P791-D793 PolarHBondContact O-N 3.12Å |
| 792 | V | 83.6 | Confident | 86.5 | Confident | 49 Ų | 49 | 48.3 Ų | 48.3 | 30% | 0.297 | 24% | 0.238 | S | C | . | . | trans | -69.8 | 122.8 | -179.9 | 178.3 | 0 | 0 | 0 | 0 | 109.9 | I794 F825 F829 | V792-I794 HydrophobicContact CG1-CG1 4.21Å; V792-I794 PolarHBondContact O-N 3.44Å; V792-F825 HydrophobicContact CG1-CE2 3.85Å; V792-F825 HydrophobicContact CG1-CZ 3.59Å; V792-F829 HydrophobicContact CB-CD1 4.48Å; V792-F829 HydrophobicContact CG1-CB 4.23Å; V792-F829 HydrophobicContact CG1-CD1 4.07Å; V792-F829 HydrophobicContact CG1-CD2 4.49Å; V792-F829 HydrophobicContact CG1-CG 4Å; V792-F829 HydrophobicContact CG2-CD1 4.02Å; V792-F829 HydrophobicContact CG2-CE1 4.01Å | ||
| 793 | D | 84.5 | Confident | 86.5 | Confident | 45 Ų | 45 | 50.3 Ų | 50.3 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | trans | -92.5 | 85.1 | -177.4 | -178.4 | 6.6 | 0 | 0 | 0 | 110.4 | I786 R789 P791 G796 F797 | I786-D793 HydrophobicContact CG2-CB 4.43Å; R789-D793 HydrophobicContact CB-CB 4.34Å; R789-D793 IonicContact CZ-OD2 3.36Å; R789-D793 IonicContact NH1-OD2 3.97Å; R789-D793 PolarHBondContact NH1-OD2 2.91Å; P791-D793 PolarHBondContact O-N 3.12Å; D793-G796 WeakPolarHBondContact OD1-CA 3.39Å; D793-G796 PolarHBondContact OD1-N 2.96Å; D793-F797 WeakPolarHBondContact O-CB 3.14Å; D793-F797 PolarHBondContact O-N 2.87Å | ||
| 794 | I | 87.6 | Confident | 86.3 | Confident | 43 Ų | 43 | 50.3 Ų | 50.3 | 22% | 0.221 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.7 | -47.5 | -174.7 | -61.6 | 175.7 | 0 | 0 | 0 | 111.1 | V792 F797 I798 F825 L826 F829 D830 | V792-I794 HydrophobicContact CG1-CG1 4.21Å; V792-I794 PolarHBondContact O-N 3.44Å; I794-F797 PolarHBondContact O-N 2.94Å; I794-I798 HydrophobicContact CG2-CD1 3.87Å; I794-I798 VanDerWaalsContact O-CG1 3.29Å; I794-I798 WeakPolarHBondContact O-CG1 3.17Å; I794-I798 PolarHBondContact O-N 2.79Å; I794-F825 HydrophobicContact CB-CE1 4.38Å; I794-F825 HydrophobicContact CG1-CE1 4.32Å; I794-F825 HydrophobicContact CG1-CZ 4.41Å; I794-F825 HydrophobicContact CG2-CE1 4.29Å; I794-L826 HydrophobicContact CG2-CD2 4.41Å; I794-F829 WeakPolarHBondContact CD1-O 3.32Å; I794-D830 HydrophobicContact CG2-CB 4.46Å |
| 795 | E | 88.5 | Confident | 86.1 | Confident | 98 Ų | 98 | 47.7 Ų | 47.7 | 46% | 0.458 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -66.4 | -44.8 | -179.7 | -57.7 | -60.5 | 161 | 0 | 0 | 111.1 | F797 I798 E799 R835 | E795-F797 VanDerWaalsContact C-N 3.28Å; E795-F797 PolarHBondContact O-N 3.31Å; E795-I798 PolarHBondContact O-N 3.47Å; E795-I798 VanDerWaalsContact O-N 3.14Å; E795-E799 PolarHBondContact O-N 3.44Å; E795-R835 IonicContact OE1-CZ 2.72Å; E795-R835 IonicContact OE1-NH1 3.62Å; E795-R835 PolarHBondContact OE1-NH1 3.32Å; E795-R835 IonicContact OE1-NH2 3.81Å; E795-R835 PolarHBondContact OE1-NH2 2.88Å; E795-R835 IonicContact OE2-NH1 3.43Å; E795-R835 IonicContact OE2-NH2 2.73Å |
| 796 | G | 86.9 | Confident | 86 | Confident | 10 Ų | 10 | 52.1 Ų | 52.1 | 10% | 0.103 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -62.2 | -32.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D793 A800 | D793-G796 WeakPolarHBondContact OD1-CA 3.39Å; D793-G796 PolarHBondContact OD1-N 2.96Å; G796-A800 WeakPolarHBondContact O-CB 3.25Å; G796-A800 PolarHBondContact O-N 3.03Å |
| 797 | F | 89.6 | Confident | 85.7 | Confident | 2 Ų | 2 | 57.3 Ų | 57.3 | 1% | 0.009 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -71.5 | -40.9 | 173.3 | -168 | -87.5 | 0 | 0 | 0 | 111.7 | L783 I786 Y787 D793 I794 E795 A800 A801 F825 | L783-F797 HydrophobicContact CB-CE2 4.18Å; L783-F797 HydrophobicContact CD2-CD1 4.37Å; L783-F797 HydrophobicContact CD2-CD2 3.92Å; L783-F797 HydrophobicContact CD2-CE1 4.12Å; L783-F797 HydrophobicContact CD2-CE2 3.63Å; L783-F797 HydrophobicContact CD2-CG 4.29Å; L783-F797 HydrophobicContact CD2-CZ 3.76Å; I786-F797 HydrophobicContact CB-CD2 4.49Å; I786-F797 HydrophobicContact CG2-CB 3.88Å; I786-F797 HydrophobicContact CG2-CD2 4.19Å; Y787-F797 HydrophobicContact CD2-CE2 4.14Å; D793-F797 WeakPolarHBondContact O-CB 3.14Å; D793-F797 PolarHBondContact O-N 2.87Å; I794-F797 PolarHBondContact O-N 2.94Å; E795-F797 VanDerWaalsContact C-N 3.28Å; E795-F797 PolarHBondContact O-N 3.31Å; F797-A800 PolarHBondContact O-N 3.46Å; F797-A801 WeakPolarHBondContact O-CB 3.47Å; F797-A801 PolarHBondContact O-N 2.76Å; F797-F825 HydrophobicContact CB-CD1 4.11Å; F797-F825 HydrophobicContact CB-CE1 3.56Å; F797-F825 HydrophobicContact CB-CE2 4.18Å; F797-F825 HydrophobicContact CB-CZ 3.58Å; F797-F825 HydrophobicContact CD1-CB 3.81Å; F797-F825 AromaticContact CD1-CD1 3.23Å; F797-F825 HydrophobicContact CD1-CD1 3.23Å; F797-F825 AromaticContact CD1-CD2 3.91Å; F797-F825 HydrophobicContact CD1-CD2 3.91Å; F797-F825 AromaticContact CD1-CE1 3.65Å; F797-F825 HydrophobicContact CD1-CE1 3.65Å; F797-F825 HydrophobicContact CD1-CE2 4.26Å; F797-F825 AromaticContact CD1-CG 3.37Å; F797-F825 HydrophobicContact CD1-CG 3.37Å; F797-F825 HydrophobicContact CD1-CZ 4.13Å; F797-F825 HydrophobicContact CD2-CD2 4.06Å; F797-F825 HydrophobicContact CD2-CE2 4.03Å; F797-F825 HydrophobicContact CD2-CG 4.36Å; F797-F825 HydrophobicContact CD2-CZ 4.3Å; F797-F825 HydrophobicContact CE1-CB 3.31Å; F797-F825 AromaticContact CE1-CD1 3.74Å; F797-F825 HydrophobicContact CE1-CD1 3.74Å; F797-F825 AromaticContact CE1-CD2 3.96Å; F797-F825 HydrophobicContact CE1-CD2 3.96Å; F797-F825 AromaticContact CE1-CG 3.4Å; F797-F825 HydrophobicContact CE1-CG 3.4Å; F797-F825 HydrophobicContact CE2-CD2 4.12Å; F797-F825 HydrophobicContact CE2-CE2 4.49Å; F797-F825 HydrophobicContact CE2-CG 4.39Å; F797-F825 AromaticContact CG-CD1 3.76Å; F797-F825 HydrophobicContact CG-CD1 3.76Å; F797-F825 AromaticContact CG-CD2 3.95Å; F797-F825 HydrophobicContact CG-CD2 3.95Å; F797-F825 AromaticContact CG-CE1 3.7Å; F797-F825 HydrophobicContact CG-CE1 3.7Å; F797-F825 AromaticContact CG-CE2 3.89Å; F797-F825 HydrophobicContact CG-CE2 3.89Å; F797-F825 AromaticContact CG-CG 3.87Å; F797-F825 HydrophobicContact CG-CG 3.87Å; F797-F825 AromaticContact CG-CZ 3.75Å; F797-F825 HydrophobicContact CG-CZ 3.75Å; F797-F825 HydrophobicContact CZ-CB 3.83Å; F797-F825 HydrophobicContact CZ-CD2 4.06Å; F797-F825 AromaticContact CZ-CG 3.93Å; F797-F825 HydrophobicContact CZ-CG 3.93Å |
| 798 | I | 88.8 | Confident | 85.5 | Confident | 23 Ų | 23 | 53.9 Ų | 53.9 | 12% | 0.118 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -44 | 173.4 | -68.3 | 165.9 | 0 | 0 | 0 | 110.5 | I794 E795 A801 N802 L826 | I794-I798 HydrophobicContact CG2-CD1 3.87Å; I794-I798 VanDerWaalsContact O-CG1 3.29Å; I794-I798 WeakPolarHBondContact O-CG1 3.17Å; I794-I798 PolarHBondContact O-N 2.79Å; E795-I798 PolarHBondContact O-N 3.47Å; E795-I798 VanDerWaalsContact O-N 3.14Å; I798-A801 PolarHBondContact O-N 2.59Å; I798-N802 WeakPolarHBondContact O-CB 3.42Å; I798-N802 PolarHBondContact O-N 2.75Å; I798-N802 PolarHBondContact O-ND2 2.82Å; I798-L826 HydrophobicContact CD1-CD2 3.92Å; I798-L826 HydrophobicContact CG1-CD2 4.02Å |
| 799 | E | 88.5 | Confident | 85.5 | Confident | 118 Ų | 118 | 54 Ų | 54 | 55% | 0.551 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -57.7 | -53.2 | 174.5 | -77.9 | -174.2 | -167.5 | 0 | 0 | 111.7 | E795 A801 N802 L803 | E795-E799 PolarHBondContact O-N 3.44Å; E799-A801 VanDerWaalsContact C-N 3.27Å; E799-A801 PolarHBondContact O-N 3.06Å; E799-N802 PolarHBondContact O-N 3.21Å; E799-L803 VanDerWaalsContact O-CB 3.27Å; E799-L803 WeakPolarHBondContact O-CB 3.27Å; E799-L803 PolarHBondContact O-N 3.5Å |
| 800 | A | 87.5 | Confident | 85.6 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 3% | 0.033 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L782 L783 I786 G796 F797 A804 | L782-A800 HydrophobicContact CD2-CB 3.95Å; L782-A800 HydrophobicContact CG-CB 3.98Å; L783-A800 HydrophobicContact CD2-CB 3.79Å; L783-A800 HydrophobicContact CG-CB 4.34Å; I786-A800 HydrophobicContact CD1-CB 3.55Å; G796-A800 WeakPolarHBondContact O-CB 3.25Å; G796-A800 PolarHBondContact O-N 3.03Å; F797-A800 PolarHBondContact O-N 3.46Å; A800-A804 PolarHBondContact O-N 3.05Å |
| 801 | A | 88.8 | Confident | 85.7 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -71.4 | -43.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L783 F797 I798 E799 A804 T805 K822 | L783-A801 HydrophobicContact CD2-CB 4.07Å; F797-A801 WeakPolarHBondContact O-CB 3.47Å; F797-A801 PolarHBondContact O-N 2.76Å; I798-A801 PolarHBondContact O-N 2.59Å; E799-A801 VanDerWaalsContact C-N 3.27Å; E799-A801 PolarHBondContact O-N 3.06Å; A801-A804 CarbonylContact O-C 3.23Å; A801-A804 WeakPolarHBondContact O-CA 3.42Å; A801-A804 WeakPolarHBondContact O-CB 3.39Å; A801-A804 PolarHBondContact O-N 3.01Å; A801-A804 VanDerWaalsContact O-N 3.1Å; A801-T805 WeakPolarHBondContact O-CG2 3.35Å; A801-T805 PolarHBondContact O-N 3.36Å; A801-T805 PolarHBondContact O-OG1 3.2Å; A801-T805 VanDerWaalsContact O-OG1 3.09Å; A801-K822 HydrophobicContact CB-CB 3.94Å; A801-K822 HydrophobicContact CB-CD 3.97Å; A801-K822 HydrophobicContact CB-CG 3.73Å |
| 802 | N | 89.6 | Confident | 85.8 | Confident | 40 Ų | 40 | 43.9 Ų | 43.9 | 21% | 0.214 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -43.5 | 174.6 | -72.7 | -17.2 | 0 | 0 | 0 | 111.6 | I798 E799 A804 T805 I806 D807 K822 | I798-N802 WeakPolarHBondContact O-CB 3.42Å; I798-N802 PolarHBondContact O-N 2.75Å; I798-N802 PolarHBondContact O-ND2 2.82Å; E799-N802 PolarHBondContact O-N 3.21Å; N802-A804 PolarHBondContact O-N 3.37Å; N802-T805 PolarHBondContact O-N 2.78Å; N802-T805 VanDerWaalsContact O-N 3.17Å; N802-I806 HydrophobicContact CB-CD1 4.11Å; N802-I806 WeakPolarHBondContact O-CA 3.34Å; N802-I806 WeakPolarHBondContact O-CB 3.44Å; N802-I806 PolarHBondContact O-N 3.27Å; N802-D807 PolarHBondContact O-N 3.33Å; N802-K822 VanDerWaalsContact OD1-CE 3.27Å; N802-K822 WeakPolarHBondContact OD1-CE 3.08Å; N802-K822 PolarHBondContact OD1-NZ 3.48Å |
| 803 | L | 87.9 | Confident | 85.6 | Confident | 42 Ų | 42 | 46.7 Ų | 46.7 | 22% | 0.22 | 25% | 0.254 | C | S | . | . | I | π-helix | trans | -59.2 | -30.3 | 174.6 | -179 | 138.5 | 0 | 0 | 0 | 111.6 | I769 Y779 L782 E799 D807 S808 | I769-L803 HydrophobicContact CD1-CD2 4.04Å; I769-L803 HydrophobicContact CG2-CD2 4.31Å; Y779-L803 HydrophobicContact CD1-CD2 3.69Å; Y779-L803 HydrophobicContact CE1-CD2 3.54Å; Y779-L803 HydrophobicContact CE1-CG 4.36Å; Y779-L803 VanDerWaalsContact CE1-O 3.29Å; Y779-L803 WeakPolarHBondContact CE1-O 3.48Å; L782-L803 HydrophobicContact CD2-CD2 4.06Å; E799-L803 VanDerWaalsContact O-CB 3.27Å; E799-L803 WeakPolarHBondContact O-CB 3.27Å; E799-L803 PolarHBondContact O-N 3.5Å; L803-D807 WeakPolarHBondContact CA-OD2 3.34Å; L803-S808 WeakPolarHBondContact O-CB 3.3Å; L803-S808 PolarHBondContact O-N 3.22Å |
| 804 | A | 85.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | I | π-helix | trans | -84 | -36.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y779 A800 A801 N802 S808 F818 | Y779-A804 HydrophobicContact CD1-CB 3.7Å; Y779-A804 HydrophobicContact CG-CB 4.19Å; A800-A804 PolarHBondContact O-N 3.05Å; A801-A804 CarbonylContact O-C 3.23Å; A801-A804 WeakPolarHBondContact O-CA 3.42Å; A801-A804 WeakPolarHBondContact O-CB 3.39Å; A801-A804 PolarHBondContact O-N 3.01Å; A801-A804 VanDerWaalsContact O-N 3.1Å; N802-A804 PolarHBondContact O-N 3.37Å; A804-S808 WeakPolarHBondContact O-CB 3.46Å; A804-S808 PolarHBondContact O-OG 3.06Å; A804-F818 HydrophobicContact CB-CB 4.02Å; A804-F818 HydrophobicContact CB-CD1 4.19Å; A804-F818 HydrophobicContact CB-CD2 3.9Å; A804-F818 HydrophobicContact CB-CE2 4.43Å; A804-F818 HydrophobicContact CB-CG 3.77Å |
| 805 | T | 84.4 | Confident | 85.6 | Confident | 10 Ų | 10 | 45.1 Ų | 45.1 | 6% | 0.061 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -93.4 | -43.8 | -174.4 | 59.1 | 0 | 0 | 0 | 0 | 113.5 | A801 N802 K815 F818 C819 | A801-T805 WeakPolarHBondContact O-CG2 3.35Å; A801-T805 PolarHBondContact O-N 3.36Å; A801-T805 PolarHBondContact O-OG1 3.2Å; A801-T805 VanDerWaalsContact O-OG1 3.09Å; N802-T805 PolarHBondContact O-N 2.78Å; N802-T805 VanDerWaalsContact O-N 3.17Å; T805-K815 VanDerWaalsContact O-CD 3.28Å; T805-K815 WeakPolarHBondContact O-CD 3.44Å; T805-K815 PolarHBondContact O-NZ 2.99Å; T805-F818 HydrophobicContact CG2-CB 3.77Å; T805-C819 HydrophobicContact CG2-CB 3.89Å |
| 806 | I | 82.8 | Confident | 85.5 | Confident | 100 Ų | 100 | 41.7 Ų | 41.7 | 51% | 0.513 | 23% | 0.229 | S | C | . | . | I | π-helix | trans | -88.5 | -68.1 | -177.6 | -54.8 | 178.3 | 0 | 0 | 0 | 109.2 | N802 S808 K815 | N802-I806 HydrophobicContact CB-CD1 4.11Å; N802-I806 WeakPolarHBondContact O-CA 3.34Å; N802-I806 WeakPolarHBondContact O-CB 3.44Å; N802-I806 PolarHBondContact O-N 3.27Å; I806-S808 PolarHBondContact O-N 3.46Å; I806-K815 PolarHBondContact O-NZ 2.71Å |
| 807 | D | 80.2 | Confident | 85.4 | Confident | 116 Ų | 116 | 43.5 Ų | 43.5 | 62% | 0.62 | 24% | 0.242 | S | C | * | . | I | π-helix | trans | -77.4 | -24.3 | -162.4 | -51 | -48.7 | 0 | 0 | 0 | 113.9 | N802 L803 | N802-D807 PolarHBondContact O-N 3.33Å; L803-D807 WeakPolarHBondContact CA-OD2 3.34Å |
| 808 | S | 83.3 | Confident | 85.4 | Confident | 9 Ų | 9 | 44 Ų | 44 | 6% | 0.063 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -65.6 | 157.4 | -177.1 | 79.6 | 0 | 0 | 0 | 0 | 114.2 | Y779 L803 A804 I806 L810 K815 | Y779-S808 WeakPolarHBondContact OH-CB 3.35Å; L803-S808 WeakPolarHBondContact O-CB 3.3Å; L803-S808 PolarHBondContact O-N 3.22Å; A804-S808 WeakPolarHBondContact O-CB 3.46Å; A804-S808 PolarHBondContact O-OG 3.06Å; I806-S808 PolarHBondContact O-N 3.46Å; S808-L810 PolarHBondContact O-N 2.99Å; S808-L810 WeakPolarHBondContact OG-CB 3.29Å; S808-L810 WeakPolarHBondContact OG-CG 3.44Å; S808-L810 PolarHBondContact OG-N 3.45Å; S808-K815 WeakPolarHBondContact O-CE 3.38Å; S808-K815 PolarHBondContact O-NZ 3.43Å; S808-K815 VanDerWaalsContact OG-CE 3.29Å; S808-K815 WeakPolarHBondContact OG-CE 3.46Å; S808-K815 PolarHBondContact OG-NZ 3.46Å |
| 809 | V | 84.2 | Confident | 85.4 | Confident | 98 Ų | 98 | 43 Ų | 43 | 59% | 0.594 | 24% | 0.239 | S | C | * | . | trans | -91.4 | 20.6 | 171.6 | -158.1 | 0 | 0 | 0 | 0 | 111.3 | P773 | P773-V809 HydrophobicContact CB-CG2 4.12Å; P773-V809 PolarHBondContact O-N 3.19Å | ||
| 810 | L | 84.1 | Confident | 85.5 | Confident | 8 Ų | 8 | 39.5 Ų | 39.5 | 4% | 0.042 | 22% | 0.223 | C | C | . | . | trans | -75 | 147.6 | -174 | -63.2 | 171.9 | 0 | 0 | 0 | 112.7 | R774 E776 Y779 S808 I814 K815 F818 | R774-L810 WeakPolarHBondContact O-CD2 3.36Å; E776-L810 HydrophobicContact CB-CD2 4.14Å; Y779-L810 HydrophobicContact CD2-CD1 3.73Å; Y779-L810 HydrophobicContact CD2-CD2 4.48Å; Y779-L810 HydrophobicContact CD2-CG 4.45Å; Y779-L810 HydrophobicContact CE2-CD1 3.88Å; Y779-L810 HydrophobicContact CE2-CD2 4.25Å; Y779-L810 HydrophobicContact CE2-CG 4.17Å; Y779-L810 HydrophobicContact CG-CD1 4.09Å; S808-L810 PolarHBondContact O-N 2.99Å; S808-L810 WeakPolarHBondContact OG-CB 3.29Å; S808-L810 WeakPolarHBondContact OG-CG 3.44Å; S808-L810 PolarHBondContact OG-N 3.45Å; L810-I814 HydrophobicContact CB-CB 4.49Å; L810-I814 HydrophobicContact CB-CG2 4.12Å; L810-I814 HydrophobicContact CD1-CG2 3.9Å; L810-I814 HydrophobicContact CG-CG2 4.41Å; L810-K815 HydrophobicContact CB-CG 4.17Å; L810-K815 WeakPolarHBondContact O-CD 3.4Å; L810-K815 WeakPolarHBondContact O-CE 3.44Å; L810-F818 HydrophobicContact CD1-CD2 4.17Å; L810-F818 HydrophobicContact CD1-CE2 3.81Å | ||
| 811 | P | 83.2 | Confident | 85.6 | Confident | 64 Ų | 64 | 43 Ų | 43 | 42% | 0.416 | 24% | 0.235 | S | C | . | . | trans | -56.4 | 146.1 | 173.2 | -25.6 | 34.2 | 0 | 0 | 0 | 113.4 | H813 I814 K815 | P811-H813 PolarHBondContact O-N 2.87Å; P811-H813 VanDerWaalsContact O-N 3.07Å; P811-I814 HydrophobicContact CB-CD1 4.15Å; P811-I814 HydrophobicContact CG-CD1 3.92Å; P811-I814 WeakPolarHBondContact O-CB 3.47Å; P811-I814 PolarHBondContact O-N 3.33Å; P811-K815 PolarHBondContact O-N 3.45Å | ||
| 812 | A | 82 | Confident | 85.7 | Confident | 42 Ų | 42 | 43.3 Ų | 43.3 | 35% | 0.347 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -54.9 | -33.7 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | I814 K815 L816 I850 | A812-I814 VanDerWaalsContact C-N 3.35Å; A812-K815 PolarHBondContact O-N 3.39Å; A812-L816 PolarHBondContact O-N 2.76Å; A812-I850 HydrophobicContact CB-CG1 3.97Å |
| 813 | H | 80.3 | Confident | 85.6 | Confident | 109 Ų | 109 | 41.5 Ų | 41.5 | 51% | 0.505 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.1 | -29.6 | 177.8 | 65.4 | -89.2 | 0 | 0 | 0 | 113.3 | P811 A817 I850 | P811-H813 PolarHBondContact O-N 2.87Å; P811-H813 VanDerWaalsContact O-N 3.07Å; H813-A817 PolarHBondContact O-N 3.01Å; H813-I850 HydrophobicContact CB-CD1 4.31Å |
| 814 | I | 83.5 | Confident | 85.6 | Confident | 25 Ų | 25 | 43.1 Ų | 43.1 | 13% | 0.128 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -77.4 | -41.9 | 172.8 | -70.1 | 150.8 | 0 | 0 | 0 | 109.8 | E776 L810 P811 A812 L816 A817 F818 | E776-I814 HydrophobicContact CB-CG2 4.07Å; E776-I814 WeakPolarHBondContact OE2-CD1 3.39Å; E776-I814 WeakPolarHBondContact OE2-CG1 3.31Å; L810-I814 HydrophobicContact CB-CB 4.49Å; L810-I814 HydrophobicContact CB-CG2 4.12Å; L810-I814 HydrophobicContact CD1-CG2 3.9Å; L810-I814 HydrophobicContact CG-CG2 4.41Å; P811-I814 HydrophobicContact CB-CD1 4.15Å; P811-I814 HydrophobicContact CG-CD1 3.92Å; P811-I814 WeakPolarHBondContact O-CB 3.47Å; P811-I814 PolarHBondContact O-N 3.33Å; A812-I814 VanDerWaalsContact C-N 3.35Å; I814-L816 VanDerWaalsContact C-N 3.28Å; I814-L816 PolarHBondContact O-N 3.1Å; I814-A817 WeakPolarHBondContact O-CB 3.44Å; I814-A817 PolarHBondContact O-N 3.02Å; I814-A817 VanDerWaalsContact O-N 3.09Å; I814-F818 HydrophobicContact CG2-CD2 3.82Å; I814-F818 HydrophobicContact CG2-CE2 3.49Å; I814-F818 VanDerWaalsContact CG2-CE2 3.49Å; I814-F818 VanDerWaalsContact O-CD2 3.3Å; I814-F818 WeakPolarHBondContact O-CD2 3.16Å; I814-F818 PolarHBondContact O-N 2.74Å |
| 815 | K | 87.6 | Confident | 85.8 | Confident | 29 Ų | 29 | 43.3 Ų | 43.3 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -57 | -39.7 | 171.2 | -71.4 | 177.5 | 172.4 | -104.4 | 0 | 111.9 | T805 I806 S808 L810 P811 A812 F818 C819 L846 | T805-K815 VanDerWaalsContact O-CD 3.28Å; T805-K815 WeakPolarHBondContact O-CD 3.44Å; T805-K815 PolarHBondContact O-NZ 2.99Å; I806-K815 PolarHBondContact O-NZ 2.71Å; S808-K815 WeakPolarHBondContact O-CE 3.38Å; S808-K815 PolarHBondContact O-NZ 3.43Å; S808-K815 VanDerWaalsContact OG-CE 3.29Å; S808-K815 WeakPolarHBondContact OG-CE 3.46Å; S808-K815 PolarHBondContact OG-NZ 3.46Å; L810-K815 HydrophobicContact CB-CG 4.17Å; L810-K815 WeakPolarHBondContact O-CD 3.4Å; L810-K815 WeakPolarHBondContact O-CE 3.44Å; P811-K815 PolarHBondContact O-N 3.45Å; A812-K815 PolarHBondContact O-N 3.39Å; K815-F818 PolarHBondContact O-N 2.9Å; K815-C819 WeakPolarHBondContact O-CB 3.12Å; K815-C819 PolarHBondContact O-N 3.3Å; K815-L846 HydrophobicContact CB-CD1 4.48Å; K815-L846 HydrophobicContact CB-CD2 4.21Å |
| 816 | L | 87.5 | Confident | 86 | Confident | 27 Ų | 27 | 43 Ų | 43 | 14% | 0.141 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 173.4 | 179.8 | 153.2 | 0 | 0 | 0 | 112.2 | A812 I814 F818 C819 Q820 Y843 L846 C847 I850 | A812-L816 PolarHBondContact O-N 2.76Å; I814-L816 VanDerWaalsContact C-N 3.28Å; I814-L816 PolarHBondContact O-N 3.1Å; L816-F818 VanDerWaalsContact C-N 3.34Å; L816-F818 PolarHBondContact O-N 3.41Å; L816-C819 PolarHBondContact O-N 3.29Å; L816-Q820 PolarHBondContact O-N 3.45Å; L816-Y843 HydrophobicContact CD1-CE2 4.25Å; L816-Y843 HydrophobicContact CD2-CE2 3.77Å; L816-Y843 HydrophobicContact CG-CD2 4.14Å; L816-Y843 HydrophobicContact CG-CE2 3.72Å; L816-L846 HydrophobicContact CB-CB 4.27Å; L816-C847 VanDerWaalsContact CD1-SG 3.58Å; L816-I850 HydrophobicContact CB-CD1 3.8Å; L816-I850 HydrophobicContact CD1-CD1 3.49Å; L816-I850 VanDerWaalsContact CD1-CD1 3.49Å; L816-I850 HydrophobicContact CG-CD1 4.27Å |
| 817 | A | 84.5 | Confident | 86.3 | Confident | 47 Ų | 47 | 43.1 Ų | 43.1 | 39% | 0.388 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -63.5 | -39.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | H813 I814 Q820 R821 | H813-A817 PolarHBondContact O-N 3.01Å; I814-A817 WeakPolarHBondContact O-CB 3.44Å; I814-A817 PolarHBondContact O-N 3.02Å; I814-A817 VanDerWaalsContact O-N 3.09Å; A817-Q820 PolarHBondContact O-N 3.19Å; A817-R821 PolarHBondContact O-N 3.2Å; A817-R821 VanDerWaalsContact O-N 3.1Å |
| 818 | F | 88.7 | Confident | 86.6 | Confident | 14 Ų | 14 | 43.4 Ų | 43.4 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.7 | -38.6 | 172.4 | -72.3 | -58 | 0 | 0 | 0 | 112.7 | A780 L783 A804 T805 L810 I814 K815 L816 Q820 R821 K822 | A780-F818 HydrophobicContact CB-CE1 4.09Å; A780-F818 HydrophobicContact CB-CZ 4.12Å; L783-F818 HydrophobicContact CD1-CD1 3.4Å; L783-F818 VanDerWaalsContact CD1-CD1 3.4Å; L783-F818 HydrophobicContact CD1-CE1 3.77Å; L783-F818 HydrophobicContact CD1-CG 4.42Å; A804-F818 HydrophobicContact CB-CB 4.02Å; A804-F818 HydrophobicContact CB-CD1 4.19Å; A804-F818 HydrophobicContact CB-CD2 3.9Å; A804-F818 HydrophobicContact CB-CE2 4.43Å; A804-F818 HydrophobicContact CB-CG 3.77Å; T805-F818 HydrophobicContact CG2-CB 3.77Å; L810-F818 HydrophobicContact CD1-CD2 4.17Å; L810-F818 HydrophobicContact CD1-CE2 3.81Å; I814-F818 HydrophobicContact CG2-CD2 3.82Å; I814-F818 HydrophobicContact CG2-CE2 3.49Å; I814-F818 VanDerWaalsContact CG2-CE2 3.49Å; I814-F818 VanDerWaalsContact O-CD2 3.3Å; I814-F818 WeakPolarHBondContact O-CD2 3.16Å; I814-F818 PolarHBondContact O-N 2.74Å; K815-F818 PolarHBondContact O-N 2.9Å; L816-F818 VanDerWaalsContact C-N 3.34Å; L816-F818 PolarHBondContact O-N 3.41Å; F818-Q820 VanDerWaalsContact C-N 3.32Å; F818-Q820 PolarHBondContact O-N 3.42Å; F818-R821 PolarHBondContact O-N 3.35Å; F818-K822 PolarHBondContact O-N 3.27Å |
| 819 | C | 90.2 | Very high | 86.8 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -65.4 | -34.4 | 174.5 | -163.2 | 0 | 0 | 0 | 0 | 112.3 | T805 K815 L816 K822 L823 Y843 L846 | T805-C819 HydrophobicContact CG2-CB 3.89Å; K815-C819 WeakPolarHBondContact O-CB 3.12Å; K815-C819 PolarHBondContact O-N 3.3Å; L816-C819 PolarHBondContact O-N 3.29Å; C819-K822 WeakPolarHBondContact O-CB 3.41Å; C819-K822 PolarHBondContact O-N 3.23Å; C819-L823 PolarHBondContact O-N 3.11Å; C819-Y843 HydrophobicContact CB-CD2 4.42Å; C819-L846 HydrophobicContact CB-CD1 3.65Å |
| 820 | Q | 89.8 | Confident | 86.9 | Confident | 45 Ų | 45 | 43.1 Ų | 43.1 | 21% | 0.21 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.2 | -41.5 | 172.7 | -172.1 | 177.7 | -17.2 | 0 | 0 | 111.6 | L816 A817 F818 K822 L823 Q824 Y843 | L816-Q820 PolarHBondContact O-N 3.45Å; A817-Q820 PolarHBondContact O-N 3.19Å; F818-Q820 VanDerWaalsContact C-N 3.32Å; F818-Q820 PolarHBondContact O-N 3.42Å; Q820-K822 VanDerWaalsContact C-N 3.33Å; Q820-L823 PolarHBondContact O-N 3.38Å; Q820-Q824 VanDerWaalsContact O-CG 3.32Å; Q820-Q824 WeakPolarHBondContact O-CG 3.39Å; Q820-Q824 PolarHBondContact O-N 2.92Å; Q820-Y843 HydrophobicContact CB-CD2 4.35Å; Q820-Y843 HydrophobicContact CB-CE2 3.9Å; Q820-Y843 HydrophobicContact CG-CE2 4.35Å |
| 821 | R | 88.7 | Confident | 86.9 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -64.7 | -36.1 | 172.7 | -70.8 | -171.9 | 66.5 | 172.4 | -0.4 | 112.3 | D784 A817 F818 F825 | D784-R821 IonicContact OD1-CZ 3.65Å; D784-R821 IonicContact OD1-NH1 3.32Å; D784-R821 PolarHBondContact OD1-NH1 3.17Å; D784-R821 IonicContact OD1-NH2 2.8Å; D784-R821 PolarHBondContact OD1-NH2 2.92Å; A817-R821 PolarHBondContact O-N 3.2Å; A817-R821 VanDerWaalsContact O-N 3.1Å; F818-R821 PolarHBondContact O-N 3.35Å; R821-F825 WeakPolarHBondContact O-CB 3.29Å; R821-F825 PolarHBondContact O-N 3.02Å; R821-F825 VanDerWaalsContact O-N 3.1Å |
| 822 | K | 91 | Very high | 87.1 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.03 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -60 | -51 | 172.7 | -167.8 | -174.1 | 176.1 | -169.4 | 0 | 110.8 | A801 N802 F818 C819 Q820 F825 L826 T839 E842 | A801-K822 HydrophobicContact CB-CB 3.94Å; A801-K822 HydrophobicContact CB-CD 3.97Å; A801-K822 HydrophobicContact CB-CG 3.73Å; N802-K822 VanDerWaalsContact OD1-CE 3.27Å; N802-K822 WeakPolarHBondContact OD1-CE 3.08Å; N802-K822 PolarHBondContact OD1-NZ 3.48Å; F818-K822 PolarHBondContact O-N 3.27Å; C819-K822 WeakPolarHBondContact O-CB 3.41Å; C819-K822 PolarHBondContact O-N 3.23Å; Q820-K822 VanDerWaalsContact C-N 3.33Å; K822-F825 PolarHBondContact O-N 2.88Å; K822-L826 WeakPolarHBondContact O-CG 3.46Å; K822-L826 PolarHBondContact O-N 3.35Å; K822-T839 HydrophobicContact CD-CG2 3.7Å; K822-T839 HydrophobicContact CG-CG2 4.01Å; K822-E842 IonicContact NZ-OE1 3.13Å; K822-E842 PolarHBondContact NZ-OE1 2.75Å; K822-E842 IonicContact NZ-OE2 2.68Å; K822-E842 PolarHBondContact NZ-OE2 3.33Å |
| 823 | L | 88.2 | Confident | 87.3 | Confident | 1 Ų | 1 | 52.8 Ų | 52.8 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -56.5 | -54.5 | 177.3 | -172.9 | 74.8 | 0 | 0 | 0 | 111.3 | C819 Q820 F825 L826 E827 L836 T839 Y840 L875 | C819-L823 PolarHBondContact O-N 3.11Å; Q820-L823 PolarHBondContact O-N 3.38Å; L823-F825 VanDerWaalsContact C-N 3.33Å; L823-F825 PolarHBondContact O-N 3.44Å; L823-L826 PolarHBondContact O-N 3.32Å; L823-L826 VanDerWaalsContact O-N 3.08Å; L823-E827 WeakPolarHBondContact O-CG 3.37Å; L823-E827 PolarHBondContact O-N 2.87Å; L823-L836 HydrophobicContact CD1-CD1 3.68Å; L823-L836 HydrophobicContact CG-CD1 4.4Å; L823-T839 WeakPolarHBondContact CD1-OG1 3.3Å; L823-Y840 HydrophobicContact CD1-CD2 4.45Å; L823-Y840 HydrophobicContact CD2-CD2 4.4Å; L823-L875 HydrophobicContact CD2-CD1 4.15Å |
| 824 | Q | 88.6 | Confident | 87.5 | Confident | 77 Ų | 77 | 51.4 Ų | 51.4 | 36% | 0.36 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59 | -39.8 | -178 | -72.4 | 174 | -32.3 | 0 | 0 | 113.2 | Q820 E827 E828 | Q820-Q824 VanDerWaalsContact O-CG 3.32Å; Q820-Q824 WeakPolarHBondContact O-CG 3.39Å; Q820-Q824 PolarHBondContact O-N 2.92Å; Q824-E827 PolarHBondContact O-N 3.27Å; Q824-E828 WeakPolarHBondContact O-CG 3.38Å; Q824-E828 PolarHBondContact O-N 3.36Å |
| 825 | F | 88.9 | Confident | 87.6 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.018 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -66.1 | -38.1 | 176.1 | 176.8 | -92.4 | 0 | 0 | 0 | 112.6 | Y787 V792 I794 F797 R821 K822 L823 E828 F829 | Y787-F825 AromaticContact CD2-CD2 3.68Å; Y787-F825 HydrophobicContact CD2-CD2 3.68Å; Y787-F825 HydrophobicContact CD2-CE2 4.09Å; Y787-F825 AromaticContact CE2-CD2 3.9Å; Y787-F825 HydrophobicContact CE2-CD2 3.9Å; Y787-F825 HydrophobicContact CE2-CE2 4.5Å; V792-F825 HydrophobicContact CG1-CE2 3.85Å; V792-F825 HydrophobicContact CG1-CZ 3.59Å; I794-F825 HydrophobicContact CB-CE1 4.38Å; I794-F825 HydrophobicContact CG1-CE1 4.32Å; I794-F825 HydrophobicContact CG1-CZ 4.41Å; I794-F825 HydrophobicContact CG2-CE1 4.29Å; F797-F825 HydrophobicContact CB-CD1 4.11Å; F797-F825 HydrophobicContact CB-CE1 3.56Å; F797-F825 HydrophobicContact CB-CE2 4.18Å; F797-F825 HydrophobicContact CB-CZ 3.58Å; F797-F825 HydrophobicContact CD1-CB 3.81Å; F797-F825 AromaticContact CD1-CD1 3.23Å; F797-F825 HydrophobicContact CD1-CD1 3.23Å; F797-F825 AromaticContact CD1-CD2 3.91Å; F797-F825 HydrophobicContact CD1-CD2 3.91Å; F797-F825 AromaticContact CD1-CE1 3.65Å; F797-F825 HydrophobicContact CD1-CE1 3.65Å; F797-F825 HydrophobicContact CD1-CE2 4.26Å; F797-F825 AromaticContact CD1-CG 3.37Å; F797-F825 HydrophobicContact CD1-CG 3.37Å; F797-F825 HydrophobicContact CD1-CZ 4.13Å; F797-F825 HydrophobicContact CD2-CD2 4.06Å; F797-F825 HydrophobicContact CD2-CE2 4.03Å; F797-F825 HydrophobicContact CD2-CG 4.36Å; F797-F825 HydrophobicContact CD2-CZ 4.3Å; F797-F825 HydrophobicContact CE1-CB 3.31Å; F797-F825 AromaticContact CE1-CD1 3.74Å; F797-F825 HydrophobicContact CE1-CD1 3.74Å; F797-F825 AromaticContact CE1-CD2 3.96Å; F797-F825 HydrophobicContact CE1-CD2 3.96Å; F797-F825 AromaticContact CE1-CG 3.4Å; F797-F825 HydrophobicContact CE1-CG 3.4Å; F797-F825 HydrophobicContact CE2-CD2 4.12Å; F797-F825 HydrophobicContact CE2-CE2 4.49Å; F797-F825 HydrophobicContact CE2-CG 4.39Å; F797-F825 AromaticContact CG-CD1 3.76Å; F797-F825 HydrophobicContact CG-CD1 3.76Å; F797-F825 AromaticContact CG-CD2 3.95Å; F797-F825 HydrophobicContact CG-CD2 3.95Å; F797-F825 AromaticContact CG-CE1 3.7Å; F797-F825 HydrophobicContact CG-CE1 3.7Å; F797-F825 AromaticContact CG-CE2 3.89Å; F797-F825 HydrophobicContact CG-CE2 3.89Å; F797-F825 AromaticContact CG-CG 3.87Å; F797-F825 HydrophobicContact CG-CG 3.87Å; F797-F825 AromaticContact CG-CZ 3.75Å; F797-F825 HydrophobicContact CG-CZ 3.75Å; F797-F825 HydrophobicContact CZ-CB 3.83Å; F797-F825 HydrophobicContact CZ-CD2 4.06Å; F797-F825 AromaticContact CZ-CG 3.93Å; F797-F825 HydrophobicContact CZ-CG 3.93Å; R821-F825 WeakPolarHBondContact O-CB 3.29Å; R821-F825 PolarHBondContact O-N 3.02Å; R821-F825 VanDerWaalsContact O-N 3.1Å; K822-F825 PolarHBondContact O-N 2.88Å; L823-F825 VanDerWaalsContact C-N 3.33Å; L823-F825 PolarHBondContact O-N 3.44Å; F825-E828 PolarHBondContact O-N 2.83Å; F825-F829 AromaticContact CD2-CD2 3.47Å; F825-F829 HydrophobicContact CD2-CD2 3.47Å; F825-F829 VanDerWaalsContact CD2-CD2 3.47Å; F825-F829 AromaticContact CD2-CE2 3.91Å; F825-F829 HydrophobicContact CD2-CE2 3.91Å; F825-F829 HydrophobicContact CD2-CG 4.49Å; F825-F829 AromaticContact CE2-CD2 3.54Å; F825-F829 HydrophobicContact CE2-CD2 3.54Å; F825-F829 HydrophobicContact CE2-CE2 4.04Å; F825-F829 HydrophobicContact CE2-CG 4.24Å; F825-F829 HydrophobicContact CG-CD2 4.11Å; F825-F829 HydrophobicContact CZ-CB 4.42Å; F825-F829 HydrophobicContact CZ-CD2 4.21Å; F825-F829 WeakPolarHBondContact O-CD2 3.24Å; F825-F829 PolarHBondContact O-N 3.18Å |
| 826 | L | 89 | Confident | 87.6 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -71.1 | -31.3 | 175.4 | -62.6 | 179.4 | 0 | 0 | 0 | 112.1 | I794 I798 K822 L823 E828 D830 R835 L836 T839 | I794-L826 HydrophobicContact CG2-CD2 4.41Å; I798-L826 HydrophobicContact CD1-CD2 3.92Å; I798-L826 HydrophobicContact CG1-CD2 4.02Å; K822-L826 WeakPolarHBondContact O-CG 3.46Å; K822-L826 PolarHBondContact O-N 3.35Å; L823-L826 PolarHBondContact O-N 3.32Å; L823-L826 VanDerWaalsContact O-N 3.08Å; L826-E828 VanDerWaalsContact C-N 3.31Å; L826-D830 HydrophobicContact CB-CB 4.28Å; L826-D830 HydrophobicContact CD2-CB 3.72Å; L826-D830 PolarHBondContact O-N 3.1Å; L826-R835 HydrophobicContact CD1-CB 4.36Å; L826-L836 HydrophobicContact CB-CD1 3.9Å; L826-T839 HydrophobicContact CD1-CG2 3.52Å |
| 827 | E | 88.4 | Confident | 87.5 | Confident | 102 Ų | 102 | 57.2 Ų | 57.2 | 48% | 0.477 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.1 | -30.9 | 170.7 | -67.2 | 175.1 | 156.4 | 0 | 0 | 112.7 | L823 Q824 L836 | L823-E827 WeakPolarHBondContact O-CG 3.37Å; L823-E827 PolarHBondContact O-N 2.87Å; Q824-E827 PolarHBondContact O-N 3.27Å; E827-L836 HydrophobicContact CG-CD1 3.6Å; E827-L836 HydrophobicContact CG-CD2 4.25Å |
| 828 | E | 87.3 | Confident | 87.8 | Confident | 121 Ų | 121 | 57.1 Ų | 57.1 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -87.3 | -35.5 | 179.9 | -74.2 | -178.3 | 168.3 | 0 | 0 | 114.3 | Y787 Q824 F825 L826 | Y787-E828 PolarHBondContact OH-OE2 3.35Å; Y787-E828 VanDerWaalsContact OH-OE2 3.1Å; Q824-E828 WeakPolarHBondContact O-CG 3.38Å; Q824-E828 PolarHBondContact O-N 3.36Å; F825-E828 PolarHBondContact O-N 2.83Å; L826-E828 VanDerWaalsContact C-N 3.31Å |
| 829 | F | 87.4 | Confident | 87.7 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 31% | 0.307 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -127.8 | -22.3 | -165.5 | -61.4 | -73.9 | 0 | 0 | 0 | 117 | Y787 V792 I794 F825 | Y787-F829 AromaticContact CE2-CE2 3.84Å; Y787-F829 HydrophobicContact CE2-CE2 3.84Å; V792-F829 HydrophobicContact CB-CD1 4.48Å; V792-F829 HydrophobicContact CG1-CB 4.23Å; V792-F829 HydrophobicContact CG1-CD1 4.07Å; V792-F829 HydrophobicContact CG1-CD2 4.49Å; V792-F829 HydrophobicContact CG1-CG 4Å; V792-F829 HydrophobicContact CG2-CD1 4.02Å; V792-F829 HydrophobicContact CG2-CE1 4.01Å; I794-F829 WeakPolarHBondContact CD1-O 3.32Å; F825-F829 AromaticContact CD2-CD2 3.47Å; F825-F829 HydrophobicContact CD2-CD2 3.47Å; F825-F829 VanDerWaalsContact CD2-CD2 3.47Å; F825-F829 AromaticContact CD2-CE2 3.91Å; F825-F829 HydrophobicContact CD2-CE2 3.91Å; F825-F829 HydrophobicContact CD2-CG 4.49Å; F825-F829 AromaticContact CE2-CD2 3.54Å; F825-F829 HydrophobicContact CE2-CD2 3.54Å; F825-F829 HydrophobicContact CE2-CE2 4.04Å; F825-F829 HydrophobicContact CE2-CG 4.24Å; F825-F829 HydrophobicContact CG-CD2 4.11Å; F825-F829 HydrophobicContact CZ-CB 4.42Å; F825-F829 HydrophobicContact CZ-CD2 4.21Å; F825-F829 WeakPolarHBondContact O-CD2 3.24Å; F825-F829 PolarHBondContact O-N 3.18Å |
| 830 | D | 86 | Confident | 87.6 | Confident | 32 Ų | 32 | 61.6 Ų | 61.6 | 17% | 0.171 | 31% | 0.313 | C | S | . | . | trans | -90.5 | 155.8 | -179.2 | -153.2 | -29.3 | 0 | 0 | 0 | 111.3 | I794 L826 D832 R835 | I794-D830 HydrophobicContact CG2-CB 4.46Å; L826-D830 HydrophobicContact CB-CB 4.28Å; L826-D830 HydrophobicContact CD2-CB 3.72Å; L826-D830 PolarHBondContact O-N 3.1Å; D830-D832 PolarHBondContact OD1-N 3.41Å; D830-R835 WeakPolarHBondContact OD2-CD 3.41Å; D830-R835 IonicContact OD2-NE 3.37Å; D830-R835 IonicContact OD2-NH1 2.75Å; D830-R835 PolarHBondContact OD2-NH1 3.35Å | ||
| 831 | T | 84.5 | Confident | 87.6 | Confident | 144 Ų | 144 | 66.3 Ų | 66.3 | 88% | 0.883 | 34% | 0.335 | S | S | * | . | trans | -110.9 | -11.6 | 173.2 | 57.9 | 0 | 0 | 0 | 0 | 112.5 | L833 | T831-L833 PolarHBondContact O-N 3.09Š| ||
| 832 | D | 87.2 | Confident | 87.5 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 33% | 0.326 | 33% | 0.334 | S | S | . | . | trans | -84.1 | 92.6 | 178 | -174.1 | -2.8 | 0 | 0 | 0 | 111.8 | D830 S834 R835 L836 | D830-D832 PolarHBondContact OD1-N 3.41Å; D832-S834 VanDerWaalsContact CG-OG 3.27Å; D832-S834 PolarHBondContact O-N 3.17Å; D832-S834 WeakPolarHBondContact OD1-CA 3.21Å; D832-S834 VanDerWaalsContact OD1-CB 3.22Å; D832-S834 WeakPolarHBondContact OD1-CB 3.27Å; D832-S834 PolarHBondContact OD1-N 3.1Å; D832-S834 PolarHBondContact OD1-OG 3.25Å; D832-S834 PolarHBondContact OD2-OG 2.74Å; D832-R835 HydrophobicContact CB-CG 4.12Å; D832-R835 WeakPolarHBondContact O-CB 3.42Å; D832-R835 PolarHBondContact O-N 2.79Å; D832-R835 VanDerWaalsContact O-N 3.09Å; D832-R835 WeakPolarHBondContact OD2-CG 3.49Å; D832-R835 IonicContact OD2-NE 3.67Å; D832-R835 PolarHBondContact OD2-NE 3.09Å; D832-L836 PolarHBondContact O-N 3.21Å | ||
| 833 | L | 85.6 | Confident | 87.4 | Confident | 111 Ų | 111 | 65.2 Ų | 65.2 | 58% | 0.581 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -56.5 | -19.4 | 174 | -176.9 | 58.3 | 0 | 0 | 0 | 113.5 | T831 L836 N837 | T831-L833 PolarHBondContact O-N 3.09Å; L833-L836 HydrophobicContact CD1-CB 4.49Å; L833-L836 HydrophobicContact CD1-CD2 4.05Å; L833-N837 WeakPolarHBondContact O-CB 3.47Å; L833-N837 PolarHBondContact O-N 3.04Å; L833-N837 VanDerWaalsContact O-N 3.1Å; L833-N837 PolarHBondContact O-ND2 2.89Å |
| 834 | S | 85.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 67.7 Ų | 67.7 | 56% | 0.559 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -72.9 | -39.4 | 175.8 | 78.6 | 0 | 0 | 0 | 0 | 112.1 | D832 A838 | D832-S834 VanDerWaalsContact CG-OG 3.27Å; D832-S834 PolarHBondContact O-N 3.17Å; D832-S834 WeakPolarHBondContact OD1-CA 3.21Å; D832-S834 VanDerWaalsContact OD1-CB 3.22Å; D832-S834 WeakPolarHBondContact OD1-CB 3.27Å; D832-S834 PolarHBondContact OD1-N 3.1Å; D832-S834 PolarHBondContact OD1-OG 3.25Å; D832-S834 PolarHBondContact OD2-OG 2.74Å; S834-A838 PolarHBondContact O-N 3.38Å |
| 835 | R | 85.2 | Confident | 87.3 | Confident | 79 Ų | 79 | 67.9 Ų | 67.9 | 30% | 0.298 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.5 | -46.5 | 172.1 | -64.9 | 172.4 | -177.1 | -155.2 | -14.4 | 111 | E795 L826 D830 D832 N837 A838 T839 | E795-R835 IonicContact OE1-CZ 2.72Å; E795-R835 IonicContact OE1-NH1 3.62Å; E795-R835 PolarHBondContact OE1-NH1 3.32Å; E795-R835 IonicContact OE1-NH2 3.81Å; E795-R835 PolarHBondContact OE1-NH2 2.88Å; E795-R835 IonicContact OE2-NH1 3.43Å; E795-R835 IonicContact OE2-NH2 2.73Å; L826-R835 HydrophobicContact CD1-CB 4.36Å; D830-R835 WeakPolarHBondContact OD2-CD 3.41Å; D830-R835 IonicContact OD2-NE 3.37Å; D830-R835 IonicContact OD2-NH1 2.75Å; D830-R835 PolarHBondContact OD2-NH1 3.35Å; D832-R835 HydrophobicContact CB-CG 4.12Å; D832-R835 WeakPolarHBondContact O-CB 3.42Å; D832-R835 PolarHBondContact O-N 2.79Å; D832-R835 VanDerWaalsContact O-N 3.09Å; D832-R835 WeakPolarHBondContact OD2-CG 3.49Å; D832-R835 IonicContact OD2-NE 3.67Å; D832-R835 PolarHBondContact OD2-NE 3.09Å; R835-N837 PolarHBondContact O-N 2.63Å; R835-A838 WeakPolarHBondContact O-CB 3.37Å; R835-A838 PolarHBondContact O-N 3.05Å; R835-A838 VanDerWaalsContact O-N 3.16Å; R835-T839 WeakPolarHBondContact O-CG2 3.44Å; R835-T839 PolarHBondContact O-N 3.47Å; R835-T839 PolarHBondContact O-OG1 2.84Å |
| 836 | L | 86.4 | Confident | 87.1 | Confident | 38 Ų | 38 | 69.2 Ų | 69.2 | 20% | 0.199 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 178.9 | -177.2 | 65.1 | 0 | 0 | 0 | 111.3 | L823 L826 E827 D832 L833 A838 T839 Y840 | L823-L836 HydrophobicContact CD1-CD1 3.68Å; L823-L836 HydrophobicContact CG-CD1 4.4Å; L826-L836 HydrophobicContact CB-CD1 3.9Å; E827-L836 HydrophobicContact CG-CD1 3.6Å; E827-L836 HydrophobicContact CG-CD2 4.25Å; D832-L836 PolarHBondContact O-N 3.21Å; L833-L836 HydrophobicContact CD1-CB 4.49Å; L833-L836 HydrophobicContact CD1-CD2 4.05Å; L836-A838 PolarHBondContact O-N 2.74Å; L836-T839 PolarHBondContact O-N 2.88Å; L836-T839 PolarHBondContact O-OG1 3.44Å; L836-Y840 PolarHBondContact O-N 3.4Å |
| 837 | N | 87 | Confident | 86.8 | Confident | 87 Ų | 87 | 70 Ų | 70 | 47% | 0.465 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.6 | -42.4 | 175.8 | -76.9 | -53 | 0 | 0 | 0 | 112.6 | L833 R835 T839 Y840 E841 | L833-N837 WeakPolarHBondContact O-CB 3.47Å; L833-N837 PolarHBondContact O-N 3.04Å; L833-N837 VanDerWaalsContact O-N 3.1Å; L833-N837 PolarHBondContact O-ND2 2.89Å; R835-N837 PolarHBondContact O-N 2.63Å; N837-T839 VanDerWaalsContact C-N 3.34Å; N837-T839 PolarHBondContact O-N 2.91Å; N837-Y840 WeakPolarHBondContact O-CB 3.38Å; N837-Y840 PolarHBondContact O-N 3.44Å; N837-E841 PolarHBondContact O-N 2.92Å |
| 838 | A | 89.7 | Confident | 86.6 | Confident | 45 Ų | 45 | 70.4 Ų | 70.4 | 37% | 0.372 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 176 | 0 | 0 | 0 | 0 | 0 | 111.9 | S834 R835 L836 Y840 E841 E842 | S834-A838 PolarHBondContact O-N 3.38Å; R835-A838 WeakPolarHBondContact O-CB 3.37Å; R835-A838 PolarHBondContact O-N 3.05Å; R835-A838 VanDerWaalsContact O-N 3.16Å; L836-A838 PolarHBondContact O-N 2.74Å; A838-Y840 VanDerWaalsContact C-N 3.32Å; A838-Y840 PolarHBondContact O-N 2.92Å; A838-E841 PolarHBondContact O-N 3.07Å; A838-E842 WeakPolarHBondContact O-CG 3.28Å; A838-E842 PolarHBondContact O-N 3.41Å |
| 839 | T | 86.5 | Confident | 86.4 | Confident | 4 Ų | 4 | 67 Ų | 67 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -69.4 | -27.8 | 175.8 | 61.6 | 0 | 0 | 0 | 0 | 113.9 | K822 L823 L826 R835 L836 N837 Y843 | K822-T839 HydrophobicContact CD-CG2 3.7Å; K822-T839 HydrophobicContact CG-CG2 4.01Å; L823-T839 WeakPolarHBondContact CD1-OG1 3.3Å; L826-T839 HydrophobicContact CD1-CG2 3.52Å; R835-T839 WeakPolarHBondContact O-CG2 3.44Å; R835-T839 PolarHBondContact O-N 3.47Å; R835-T839 PolarHBondContact O-OG1 2.84Å; L836-T839 PolarHBondContact O-N 2.88Å; L836-T839 PolarHBondContact O-OG1 3.44Å; N837-T839 VanDerWaalsContact C-N 3.34Å; N837-T839 PolarHBondContact O-N 2.91Å; T839-Y843 VanDerWaalsContact O-CB 3.31Å; T839-Y843 WeakPolarHBondContact O-CB 3.4Å; T839-Y843 PolarHBondContact O-N 3.01Å |
| 840 | Y | 88.8 | Confident | 86 | Confident | 103 Ų | 103 | 64.6 Ų | 64.6 | 40% | 0.404 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -68.9 | -40.4 | 170.6 | -175 | -91.1 | 0 | 0 | 0 | 111.2 | L823 L836 N837 A838 Y843 M844 | L823-Y840 HydrophobicContact CD1-CD2 4.45Å; L823-Y840 HydrophobicContact CD2-CD2 4.4Å; L836-Y840 PolarHBondContact O-N 3.4Å; N837-Y840 WeakPolarHBondContact O-CB 3.38Å; N837-Y840 PolarHBondContact O-N 3.44Å; A838-Y840 VanDerWaalsContact C-N 3.32Å; A838-Y840 PolarHBondContact O-N 2.92Å; Y840-Y843 PolarHBondContact O-N 3.25Å; Y840-M844 HydrophobicContact CD1-CG 3.92Å; Y840-M844 HydrophobicContact CE1-CE 4.15Å; Y840-M844 HydrophobicContact CE1-CG 3.54Å; Y840-M844 HydrophobicContact CE1-SD 3.98Å; Y840-M844 HydrophobicContact CE2-CE 3.87Å; Y840-M844 WeakPolarHBondContact O-CB 3.38Å; Y840-M844 VanDerWaalsContact O-CG 3.25Å; Y840-M844 WeakPolarHBondContact O-CG 3.5Å; Y840-M844 PolarHBondContact O-N 3.41Å; Y840-M844 WeakPolarHBondContact OH-CE 3.37Å |
| 841 | E | 89.4 | Confident | 85.5 | Confident | 144 Ų | 144 | 64.9 Ų | 64.9 | 67% | 0.673 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 172.9 | -70.2 | -174.1 | 178.9 | 0 | 0 | 112.4 | N837 A838 Y843 M844 S845 | N837-E841 PolarHBondContact O-N 2.92Å; A838-E841 PolarHBondContact O-N 3.07Å; E841-Y843 PolarHBondContact O-N 3.39Å; E841-M844 PolarHBondContact O-N 3.21Å; E841-S845 WeakPolarHBondContact O-CB 3.38Å; E841-S845 PolarHBondContact O-N 3.15Å |
| 842 | E | 87.6 | Confident | 85.2 | Confident | 60 Ų | 60 | 62 Ų | 62 | 28% | 0.28 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.8 | -48.5 | 169.8 | -71.3 | 171.4 | -156.8 | 0 | 0 | 111.4 | K822 A838 S845 L846 | K822-E842 IonicContact NZ-OE1 3.13Å; K822-E842 PolarHBondContact NZ-OE1 2.75Å; K822-E842 IonicContact NZ-OE2 2.68Å; K822-E842 PolarHBondContact NZ-OE2 3.33Å; A838-E842 WeakPolarHBondContact O-CG 3.28Å; A838-E842 PolarHBondContact O-N 3.41Å; E842-S845 WeakPolarHBondContact O-CB 3.47Å; E842-S845 PolarHBondContact O-N 3.33Å; E842-L846 WeakPolarHBondContact O-CG 3.41Å; E842-L846 PolarHBondContact O-N 3.21Å |
| 843 | Y | 88.2 | Confident | 84.6 | Confident | 2 Ų | 2 | 60.9 Ų | 60.9 | 1% | 0.008 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | -179.4 | 178.8 | -106 | 0 | 0 | 0 | 112.2 | L816 C819 Q820 T839 Y840 E841 S845 L846 C847 L872 | L816-Y843 HydrophobicContact CD1-CE2 4.25Å; L816-Y843 HydrophobicContact CD2-CE2 3.77Å; L816-Y843 HydrophobicContact CG-CD2 4.14Å; L816-Y843 HydrophobicContact CG-CE2 3.72Å; C819-Y843 HydrophobicContact CB-CD2 4.42Å; Q820-Y843 HydrophobicContact CB-CD2 4.35Å; Q820-Y843 HydrophobicContact CB-CE2 3.9Å; Q820-Y843 HydrophobicContact CG-CE2 4.35Å; T839-Y843 VanDerWaalsContact O-CB 3.31Å; T839-Y843 WeakPolarHBondContact O-CB 3.4Å; T839-Y843 PolarHBondContact O-N 3.01Å; Y840-Y843 PolarHBondContact O-N 3.25Å; E841-Y843 PolarHBondContact O-N 3.39Å; Y843-S845 VanDerWaalsContact C-N 3.33Å; Y843-S845 PolarHBondContact O-N 3.36Å; Y843-L846 PolarHBondContact O-N 2.9Å; Y843-C847 PolarHBondContact O-N 3.03Å; Y843-C847 PolarHBondContact O-SG 3.02Å; Y843-C847 VanDerWaalsContact O-SG 3.36Å; Y843-L872 HydrophobicContact CE1-CD1 4.06Å |
| 844 | M | 86.9 | Confident | 83.8 | Confident | 54 Ų | 54 | 58.4 Ų | 58.4 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.7 | -42.7 | 173.1 | -70.2 | -68.6 | 110.5 | 0 | 0 | 111.6 | Y840 E841 L846 C847 D848 L872 | Y840-M844 HydrophobicContact CD1-CG 3.92Å; Y840-M844 HydrophobicContact CE1-CE 4.15Å; Y840-M844 HydrophobicContact CE1-CG 3.54Å; Y840-M844 HydrophobicContact CE1-SD 3.98Å; Y840-M844 HydrophobicContact CE2-CE 3.87Å; Y840-M844 WeakPolarHBondContact O-CB 3.38Å; Y840-M844 VanDerWaalsContact O-CG 3.25Å; Y840-M844 WeakPolarHBondContact O-CG 3.5Å; Y840-M844 PolarHBondContact O-N 3.41Å; Y840-M844 WeakPolarHBondContact OH-CE 3.37Å; E841-M844 PolarHBondContact O-N 3.21Å; M844-L846 VanDerWaalsContact C-N 3.34Å; M844-L846 PolarHBondContact O-N 3.03Å; M844-C847 WeakPolarHBondContact O-CB 3.36Å; M844-C847 PolarHBondContact O-N 2.81Å; M844-D848 PolarHBondContact O-N 3.06Å; M844-L872 HydrophobicContact CE-CD1 3.68Å; M844-L872 HydrophobicContact CE-CD2 4.48Å |
| 845 | S | 87.7 | Confident | 82.8 | Confident | 81 Ų | 81 | 57.4 Ų | 57.4 | 57% | 0.566 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 177.8 | -162.5 | 0 | 0 | 0 | 0 | 112.1 | E841 E842 Y843 D848 A849 | E841-S845 WeakPolarHBondContact O-CB 3.38Å; E841-S845 PolarHBondContact O-N 3.15Å; E842-S845 WeakPolarHBondContact O-CB 3.47Å; E842-S845 PolarHBondContact O-N 3.33Å; Y843-S845 VanDerWaalsContact C-N 3.33Å; Y843-S845 PolarHBondContact O-N 3.36Å; S845-D848 PolarHBondContact O-N 3.14Å; S845-A849 WeakPolarHBondContact O-CB 3.29Å; S845-A849 PolarHBondContact O-N 3.32Å |
| 846 | L | 84.6 | Confident | 82.1 | Confident | 31 Ų | 31 | 58 Ų | 58 | 16% | 0.162 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -67.1 | -39.3 | 174.7 | -72.1 | 167 | 0 | 0 | 0 | 112.5 | K815 L816 C819 E842 Y843 M844 A849 I850 | K815-L846 HydrophobicContact CB-CD1 4.48Å; K815-L846 HydrophobicContact CB-CD2 4.21Å; L816-L846 HydrophobicContact CB-CB 4.27Å; C819-L846 HydrophobicContact CB-CD1 3.65Å; E842-L846 WeakPolarHBondContact O-CG 3.41Å; E842-L846 PolarHBondContact O-N 3.21Å; Y843-L846 PolarHBondContact O-N 2.9Å; M844-L846 VanDerWaalsContact C-N 3.34Å; M844-L846 PolarHBondContact O-N 3.03Å; L846-A849 PolarHBondContact O-N 3.1Å; L846-I850 WeakPolarHBondContact O-CD1 3.27Å; L846-I850 WeakPolarHBondContact O-CG1 3.42Å; L846-I850 PolarHBondContact O-N 3.34Å |
| 847 | C | 83.8 | Confident | 80.8 | Confident | 20 Ų | 20 | 58.5 Ų | 58.5 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.4 | -47.5 | 172.1 | -74.4 | 0 | 0 | 0 | 0 | 111.8 | L816 Y843 M844 I850 N851 | L816-C847 VanDerWaalsContact CD1-SG 3.58Å; Y843-C847 PolarHBondContact O-N 3.03Å; Y843-C847 PolarHBondContact O-SG 3.02Å; Y843-C847 VanDerWaalsContact O-SG 3.36Å; M844-C847 WeakPolarHBondContact O-CB 3.36Å; M844-C847 PolarHBondContact O-N 2.81Å; C847-I850 PolarHBondContact O-N 2.89Å; C847-N851 WeakPolarHBondContact O-CB 3.33Å; C847-N851 PolarHBondContact O-N 2.71Å; C847-N851 PolarHBondContact O-ND2 3.21Å |
| 848 | D | 83.8 | Confident | 79.3 | Confident | 111 Ų | 111 | 54.9 Ų | 54.9 | 59% | 0.594 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -68.2 | -37.9 | 178.2 | -86.1 | -12.9 | 0 | 0 | 0 | 112.5 | M844 S845 I850 N851 T852 | M844-D848 PolarHBondContact O-N 3.06Å; S845-D848 PolarHBondContact O-N 3.14Å; D848-I850 VanDerWaalsContact C-N 3.33Å; D848-I850 PolarHBondContact O-N 2.93Å; D848-N851 PolarHBondContact O-N 2.71Å; D848-T852 WeakPolarHBondContact O-CB 3.41Å; D848-T852 VanDerWaalsContact O-CG2 3.31Å; D848-T852 WeakPolarHBondContact O-CG2 3.38Å; D848-T852 PolarHBondContact O-N 2.98Å; D848-T852 PolarHBondContact O-OG1 3.1Å |
| 849 | A | 81.9 | Confident | 78.1 | Confident | 49 Ų | 49 | 58.8 Ų | 58.8 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S845 L846 T852 G853 | S845-A849 WeakPolarHBondContact O-CB 3.29Å; S845-A849 PolarHBondContact O-N 3.32Å; L846-A849 PolarHBondContact O-N 3.1Å; A849-T852 WeakPolarHBondContact CA-OG1 3.46Å; A849-T852 PolarHBondContact O-OG1 3.44Å; A849-T852 VanDerWaalsContact O-OG1 3.09Å; A849-G853 PolarHBondContact O-N 3.35Å |
| 850 | I | 80.2 | Confident | 77 | Confident | 20 Ų | 20 | 62.8 Ų | 62.8 | 10% | 0.103 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.5 | -46.8 | 176.2 | -68.9 | 160.2 | 0 | 0 | 0 | 110.8 | A812 H813 L816 L846 C847 D848 T852 G853 V854 Y870 | A812-I850 HydrophobicContact CB-CG1 3.97Å; H813-I850 HydrophobicContact CB-CD1 4.31Å; L816-I850 HydrophobicContact CB-CD1 3.8Å; L816-I850 HydrophobicContact CD1-CD1 3.49Å; L816-I850 VanDerWaalsContact CD1-CD1 3.49Å; L816-I850 HydrophobicContact CG-CD1 4.27Å; L846-I850 WeakPolarHBondContact O-CD1 3.27Å; L846-I850 WeakPolarHBondContact O-CG1 3.42Å; L846-I850 PolarHBondContact O-N 3.34Å; C847-I850 PolarHBondContact O-N 2.89Å; D848-I850 VanDerWaalsContact C-N 3.33Å; D848-I850 PolarHBondContact O-N 2.93Å; I850-T852 PolarHBondContact O-N 3.46Å; I850-G853 PolarHBondContact O-N 3.24Å; I850-V854 HydrophobicContact CG2-CG2 4.33Å; I850-V854 WeakPolarHBondContact O-CG2 3.39Å; I850-V854 PolarHBondContact O-N 3.38Å; I850-Y870 HydrophobicContact CG2-CD2 4.01Å; I850-Y870 HydrophobicContact CG2-CE2 4.33Å |
| 851 | N | 76 | Confident | 75.5 | Confident | 38 Ų | 38 | 66.9 Ų | 66.9 | 20% | 0.203 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64 | -38.4 | 179.7 | -78.8 | -43.4 | 0 | 0 | 0 | 112.5 | C847 D848 T855 G869 Y870 | C847-N851 WeakPolarHBondContact O-CB 3.33Å; C847-N851 PolarHBondContact O-N 2.71Å; C847-N851 PolarHBondContact O-ND2 3.21Å; D848-N851 PolarHBondContact O-N 2.71Å; N851-T855 WeakPolarHBondContact O-CB 3.39Å; N851-T855 WeakPolarHBondContact O-CG2 3.46Å; N851-T855 PolarHBondContact O-N 2.84Å; N851-T855 PolarHBondContact O-OG1 3.37Å; N851-G869 WeakPolarHBondContact OD1-CA 3.42Å; N851-Y870 PolarHBondContact OD1-N 2.72Å |
| 852 | T | 78.2 | Confident | 73.4 | Confident | 83 Ų | 83 | 63 Ų | 63 | 51% | 0.509 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -68.8 | -36.2 | 173 | 52.4 | 0 | 0 | 0 | 0 | 112.5 | D848 A849 I850 T855 T856 | D848-T852 WeakPolarHBondContact O-CB 3.41Å; D848-T852 VanDerWaalsContact O-CG2 3.31Å; D848-T852 WeakPolarHBondContact O-CG2 3.38Å; D848-T852 PolarHBondContact O-N 2.98Å; D848-T852 PolarHBondContact O-OG1 3.1Å; A849-T852 WeakPolarHBondContact CA-OG1 3.46Å; A849-T852 PolarHBondContact O-OG1 3.44Å; A849-T852 VanDerWaalsContact O-OG1 3.09Å; I850-T852 PolarHBondContact O-N 3.46Å; T852-T855 WeakPolarHBondContact CA-OG1 3.46Å; T852-T855 PolarHBondContact O-OG1 2.95Å; T852-T856 VanDerWaalsContact O-CB 3.24Å; T852-T856 WeakPolarHBondContact O-CB 3.42Å; T852-T856 PolarHBondContact O-N 2.84Å; T852-T856 PolarHBondContact O-OG1 2.99Å |
| 853 | G | 74 | Confident | 71.6 | Confident | 39 Ų | 39 | 62.2 Ų | 62.2 | 40% | 0.402 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.9 | -48.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A849 I850 T856 S857 | A849-G853 PolarHBondContact O-N 3.35Å; I850-G853 PolarHBondContact O-N 3.24Å; G853-T856 PolarHBondContact O-N 3.44Å; G853-S857 WeakPolarHBondContact O-CB 3.24Å; G853-S857 PolarHBondContact O-N 3.37Å |
| 854 | V | 68.5 | Low | 69.7 | Low | 58 Ų | 58 | 68.2 Ų | 68.2 | 35% | 0.352 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 178.3 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | I850 S857 A858 | I850-V854 HydrophobicContact CG2-CG2 4.33Å; I850-V854 WeakPolarHBondContact O-CG2 3.39Å; I850-V854 PolarHBondContact O-N 3.38Å; V854-S857 PolarHBondContact O-N 3.09Å; V854-A858 WeakPolarHBondContact O-CB 3.32Å; V854-A858 PolarHBondContact O-N 3.03Å |
| 855 | T | 63.8 | Low | 67.5 | Low | 59 Ų | 59 | 76.1 Ų | 76.1 | 36% | 0.362 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 177.8 | 49.7 | 0 | 0 | 0 | 0 | 112.1 | N851 T852 S857 A858 I859 | N851-T855 WeakPolarHBondContact O-CB 3.39Å; N851-T855 WeakPolarHBondContact O-CG2 3.46Å; N851-T855 PolarHBondContact O-N 2.84Å; N851-T855 PolarHBondContact O-OG1 3.37Å; T852-T855 WeakPolarHBondContact CA-OG1 3.46Å; T852-T855 PolarHBondContact O-OG1 2.95Å; T855-S857 VanDerWaalsContact C-N 3.34Å; T855-S857 PolarHBondContact O-N 3.2Å; T855-A858 PolarHBondContact O-N 2.94Å; T855-I859 WeakPolarHBondContact O-CB 3.43Å; T855-I859 WeakPolarHBondContact O-CD1 3.47Å; T855-I859 VanDerWaalsContact O-CG1 3.25Å; T855-I859 WeakPolarHBondContact O-CG1 3.46Å; T855-I859 PolarHBondContact O-N 2.71Å |
| 856 | T | 70.3 | Confident | 65.2 | Low | 91 Ų | 91 | 80.3 Ų | 80.3 | 56% | 0.558 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.1 | -41.9 | 173.8 | -59.7 | 0 | 0 | 0 | 0 | 111.6 | T852 G853 I859 A860 | T852-T856 VanDerWaalsContact O-CB 3.24Å; T852-T856 WeakPolarHBondContact O-CB 3.42Å; T852-T856 PolarHBondContact O-N 2.84Å; T852-T856 PolarHBondContact O-OG1 2.99Å; G853-T856 PolarHBondContact O-N 3.44Å; T856-I859 PolarHBondContact O-N 3.4Å; T856-A860 WeakPolarHBondContact O-CB 3.4Å; T856-A860 PolarHBondContact O-N 2.85Å |
| 857 | S | 59.2 | Low | 63.1 | Low | 50 Ų | 50 | 83.9 Ų | 83.9 | 35% | 0.35 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.1 | -32.8 | 177.1 | -169.3 | 0 | 0 | 0 | 0 | 113.2 | G853 V854 T855 R861 | G853-S857 WeakPolarHBondContact O-CB 3.24Å; G853-S857 PolarHBondContact O-N 3.37Å; V854-S857 PolarHBondContact O-N 3.09Å; T855-S857 VanDerWaalsContact C-N 3.34Å; T855-S857 PolarHBondContact O-N 3.2Å; S857-R861 WeakPolarHBondContact O-CB 3.25Å; S857-R861 WeakPolarHBondContact O-CG 3.49Å; S857-R861 PolarHBondContact O-N 2.99Å; S857-R861 VanDerWaalsContact O-N 3.15Å; S857-R861 PolarHBondContact O-NE 3.07Å; S857-R861 VanDerWaalsContact O-NE 3.11Å; S857-R861 PolarHBondContact OG-NE 3.44Å; S857-R861 PolarHBondContact OG-NH2 2.91Å |
| 858 | A | 56.7 | Low | 61.2 | Low | 11 Ų | 11 | 87.2 Ų | 87.2 | 9% | 0.091 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -70.9 | -42.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V854 T855 R861 G862 A863 I867 | V854-A858 WeakPolarHBondContact O-CB 3.32Å; V854-A858 PolarHBondContact O-N 3.03Å; T855-A858 PolarHBondContact O-N 2.94Å; A858-R861 CarbonylContact O-C 3.51Å; A858-R861 PolarHBondContact O-N 2.89Å; A858-G862 PolarHBondContact O-N 3.15Å; A858-A863 HydrophobicContact CB-CB 4.23Å; A858-A863 WeakPolarHBondContact O-CB 3.35Å; A858-A863 PolarHBondContact O-N 2.75Å; A858-I867 HydrophobicContact CB-CD1 3.92Å |
| 859 | I | 63.4 | Low | 59.1 | Low | 126 Ų | 126 | 83.5 Ų | 83.5 | 65% | 0.646 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -61.5 | -45.1 | 174 | -69.3 | 163.2 | 0 | 0 | 0 | 110.5 | T855 T856 R861 G862 | T855-I859 WeakPolarHBondContact O-CB 3.43Å; T855-I859 WeakPolarHBondContact O-CD1 3.47Å; T855-I859 VanDerWaalsContact O-CG1 3.25Å; T855-I859 WeakPolarHBondContact O-CG1 3.46Å; T855-I859 PolarHBondContact O-N 2.71Å; T856-I859 PolarHBondContact O-N 3.4Å; I859-R861 PolarHBondContact O-N 3.25Å; I859-G862 PolarHBondContact O-N 2.99Å |
| 860 | A | 64.8 | Low | 57.1 | Low | 88 Ų | 88 | 89.1 Ų | 89.1 | 73% | 0.727 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -30.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T856 G862 | T856-A860 WeakPolarHBondContact O-CB 3.4Å; T856-A860 PolarHBondContact O-N 2.85Å; A860-G862 VanDerWaalsContact C-N 3.31Å |
| 861 | R | 56.2 | Low | 55.4 | Low | 189 Ų | 189 | 95.8 Ų | 95.8 | 71% | 0.713 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.9 | 8.5 | 173.8 | -74.5 | 179.9 | -82.8 | 167.1 | -11.2 | 114.1 | S857 A858 I859 A863 | S857-R861 WeakPolarHBondContact O-CB 3.25Å; S857-R861 WeakPolarHBondContact O-CG 3.49Å; S857-R861 PolarHBondContact O-N 2.99Å; S857-R861 VanDerWaalsContact O-N 3.15Å; S857-R861 PolarHBondContact O-NE 3.07Å; S857-R861 VanDerWaalsContact O-NE 3.11Å; S857-R861 PolarHBondContact OG-NE 3.44Å; S857-R861 PolarHBondContact OG-NH2 2.91Å; A858-R861 CarbonylContact O-C 3.51Å; A858-R861 PolarHBondContact O-N 2.89Å; I859-R861 PolarHBondContact O-N 3.25Å; R861-A863 VanDerWaalsContact C-N 3.31Å; R861-A863 PolarHBondContact O-N 3.23Å |
| 862 | G | 46.4 | Very low | 53.5 | Low | 62 Ų | 62 | 98.8 Ų | 98.8 | 64% | 0.639 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 72.9 | 16.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | A858 I859 A860 S864 | A858-G862 PolarHBondContact O-N 3.15Å; I859-G862 PolarHBondContact O-N 2.99Å; A860-G862 VanDerWaalsContact C-N 3.31Å; G862-S864 PolarHBondContact O-N 3.05Å |
| 863 | A | 49.5 | Very low | 51.7 | Low | 45 Ų | 45 | 97.5 Ų | 97.5 | 37% | 0.372 | 55% | 0.553 | S | S | . | * | trans | -71.7 | 101.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.3 | A858 R861 R865 | A858-A863 HydrophobicContact CB-CB 4.23Å; A858-A863 WeakPolarHBondContact O-CB 3.35Å; A858-A863 PolarHBondContact O-N 2.75Å; R861-A863 VanDerWaalsContact C-N 3.31Å; R861-A863 PolarHBondContact O-N 3.23Å; A863-R865 PolarHBondContact O-N 2.94Å | ||
| 864 | S | 47.6 | Very low | 49.9 | Very low | 127 Ų | 127 | 101 Ų | 101 | 89% | 0.888 | 56% | 0.563 | S | S | * | * | trans | -80.4 | 26.7 | -177.9 | -152.5 | 0 | 0 | 0 | 0 | 114.3 | G862 | G862-S864 PolarHBondContact O-N 3.05Š| ||
| 865 | R | 40.9 | Very low | 48.5 | Very low | 221 Ų | 221 | 101.1 Ų | 101.1 | 83% | 0.834 | 56% | 0.561 | S | S | * | * | S | Bend | trans | -136 | 139 | 172.5 | -70.6 | -172.4 | -179 | -174.6 | 1.4 | 108.7 | A863 I867 | A863-R865 PolarHBondContact O-N 2.94Å; R865-I867 PolarHBondContact O-N 3.3Å |
| 866 | L | 39.5 | Very low | 47 | Very low | 169 Ų | 169 | 104.2 Ų | 104.2 | 89% | 0.885 | 58% | 0.575 | S | S | * | * | trans | -61.8 | 110 | 168 | -69.5 | 166.4 | 0 | 0 | 0 | 108.2 | ||||
| 867 | I | 40.2 | Very low | 45.4 | Very low | 105 Ų | 105 | 105.2 Ų | 105.2 | 54% | 0.538 | 58% | 0.577 | S | S | . | * | trans | -68.4 | 135.8 | 164.4 | -55.6 | 177.8 | 0 | 0 | 0 | 105.9 | A858 R865 G869 | A858-I867 HydrophobicContact CB-CD1 3.92Å; R865-I867 PolarHBondContact O-N 3.3Å; I867-G869 PolarHBondContact O-N 3.06Å | ||
| 868 | S | 44.1 | Very low | 43.9 | Very low | 90 Ų | 90 | 108 Ų | 108 | 63% | 0.629 | 59% | 0.587 | S | S | * | * | trans | -58.6 | 128.8 | 173.4 | -170.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 869 | G | 40.7 | Very low | 42.4 | Very low | 33 Ų | 33 | 113 Ų | 113 | 34% | 0.34 | 62% | 0.619 | S | S | . | * | trans | -63.7 | 178 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N851 I867 Q871 | N851-G869 WeakPolarHBondContact OD1-CA 3.42Å; I867-G869 PolarHBondContact O-N 3.06Å; G869-Q871 PolarHBondContact O-N 2.8Å | ||
| 870 | Y | 39.3 | Very low | 40.8 | Very low | 167 Ų | 167 | 112.6 Ų | 112.6 | 66% | 0.655 | 62% | 0.623 | S | S | * | * | trans | -55.6 | 113.9 | 166.2 | -102.9 | -95.5 | 0 | 0 | 0 | 108.1 | I850 N851 L872 | I850-Y870 HydrophobicContact CG2-CD2 4.01Å; I850-Y870 HydrophobicContact CG2-CE2 4.33Å; N851-Y870 PolarHBondContact OD1-N 2.72Å; Y870-L872 PolarHBondContact O-N 3.32Å | ||
| 871 | Q | 43.3 | Very low | 38.9 | Very low | 160 Ų | 160 | 114.6 Ų | 114.6 | 75% | 0.748 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 134.4 | 170.2 | -73.4 | -166.4 | -19.1 | 0 | 0 | 107.9 | G869 | G869-Q871 PolarHBondContact O-N 2.8Š|
| 872 | L | 37.6 | Very low | 37.5 | Very low | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -59.2 | 127.6 | 176 | -167.8 | 72.6 | 0 | 0 | 0 | 108.4 | Y843 M844 Y870 D874 | Y843-L872 HydrophobicContact CE1-CD1 4.06Å; M844-L872 HydrophobicContact CE-CD1 3.68Å; M844-L872 HydrophobicContact CE-CD2 4.48Å; Y870-L872 PolarHBondContact O-N 3.32Å; L872-D874 PolarHBondContact O-N 2.95Å |
| 873 | P | 39.1 | Very low | 36.7 | Very low | 56 Ų | 56 | 113.8 Ų | 113.8 | 36% | 0.364 | 63% | 0.628 | S | S | . | * | P | Polyproline II helix | trans | -57.1 | 130.8 | 169.6 | -21.9 | 33.5 | 0 | 0 | 0 | 109.1 | L875 | P873-L875 HydrophobicContact CB-CD2 4.27Å; P873-L875 HydrophobicContact CB-CG 4.37Å; P873-L875 PolarHBondContact O-N 3.33Å |
| 874 | D | 36.1 | Very low | 35.6 | Very low | 113 Ų | 113 | 122.4 Ų | 122.4 | 60% | 0.604 | 65% | 0.651 | S | S | * | * | trans | -76.6 | 77.9 | 177.1 | -171.1 | -5.7 | 0 | 0 | 0 | 109.5 | L872 L876 | L872-D874 PolarHBondContact O-N 2.95Å; D874-L876 PolarHBondContact O-N 3.08Å | ||
| 875 | L | 39.9 | Very low | 34.7 | Very low | 60 Ų | 60 | 122.5 Ų | 122.5 | 31% | 0.314 | 65% | 0.646 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.2 | -10.7 | -174.8 | -67.6 | 172.8 | 0 | 0 | 0 | 113.4 | L823 P873 | L823-L875 HydrophobicContact CD2-CD1 4.15Å; P873-L875 HydrophobicContact CB-CD2 4.27Å; P873-L875 HydrophobicContact CB-CG 4.37Å; P873-L875 PolarHBondContact O-N 3.33Å |
| 876 | L | 33.2 | Very low | 34 | Very low | 125 Ų | 125 | 117 Ų | 117 | 65% | 0.654 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | -12.8 | -170.5 | -63.8 | 177.9 | 0 | 0 | 0 | 114.9 | D874 L878 | D874-L876 PolarHBondContact O-N 3.08Å; L876-L878 HydrophobicContact CB-CD1 4.01Å; L876-L878 PolarHBondContact O-N 3.18Å; L876-L878 VanDerWaalsContact O-N 3.11Å |
| 877 | N | 35.6 | Very low | 33.4 | Very low | 112 Ų | 112 | 113.7 Ų | 113.7 | 60% | 0.599 | 63% | 0.633 | S | S | * | * | trans | 52 | 27.3 | -174.9 | -73.5 | -74.9 | 0 | 0 | 0 | 114.3 | P879 | N877-P879 WeakPolarHBondContact O-CD 3.45Š| ||
| 878 | L | 28 | Very low | 32.9 | Very low | 107 Ų | 107 | 115.9 Ų | 115.9 | 56% | 0.56 | 65% | 0.651 | S | S | * | * | trans | -86 | 114 | -176.1 | -110 | 91.2 | 0 | 0 | 0 | 111.4 | L876 T880 | L876-L878 HydrophobicContact CB-CD1 4.01Å; L876-L878 PolarHBondContact O-N 3.18Å; L876-L878 VanDerWaalsContact O-N 3.11Å; L878-T880 VanDerWaalsContact C-N 3.28Å; L878-T880 PolarHBondContact O-N 3Å; L878-T880 PolarHBondContact O-OG1 2.81Å; L878-T880 VanDerWaalsContact O-OG1 3.1Å | ||
| 879 | P | 25.8 | Very low | 32.1 | Very low | 117 Ų | 117 | 119.6 Ų | 119.6 | 76% | 0.76 | 66% | 0.662 | S | S | * | * | trans | -75.5 | 74.5 | -174.9 | 32.2 | -36.8 | 0 | 0 | 0 | 112.1 | N877 T881 | N877-P879 WeakPolarHBondContact O-CD 3.45Å; P879-T881 PolarHBondContact O-N 3.47Å | ||
| 880 | T | 29.9 | Very low | 31.4 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 72% | 0.724 | 68% | 0.683 | S | S | * | * | trans | -84.3 | 75.9 | -167.8 | -51.3 | 0 | 0 | 0 | 0 | 112.2 | L878 S882 | L878-T880 VanDerWaalsContact C-N 3.28Å; L878-T880 PolarHBondContact O-N 3Å; L878-T880 PolarHBondContact O-OG1 2.81Å; L878-T880 VanDerWaalsContact O-OG1 3.1Å; T880-S882 PolarHBondContact O-N 3.33Å; T880-S882 VanDerWaalsContact O-N 3.1Å | ||
| 881 | T | 24 | Very low | 31 | Very low | 129 Ų | 129 | 118.4 Ų | 118.4 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | trans | -73.2 | 94.4 | 177.2 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | P879 | P879-T881 PolarHBondContact O-N 3.47Š| ||
| 882 | S | 27.6 | Very low | 30.2 | Very low | 100 Ų | 100 | 118.5 Ų | 118.5 | 70% | 0.699 | 70% | 0.696 | S | S | * | * | trans | -164.2 | 134.7 | 157.6 | -95.9 | 0 | 0 | 0 | 0 | 117.9 | T880 | T880-S882 PolarHBondContact O-N 3.33Å; T880-S882 VanDerWaalsContact O-N 3.1Å | ||
| 883 | L | 28.2 | Very low | 29.8 | Very low | 135 Ų | 135 | 119.9 Ų | 119.9 | 71% | 0.707 | 71% | 0.711 | S | S | * | * | trans | 64.5 | 93.4 | 142.2 | -59.6 | 170.7 | 0 | 0 | 0 | 120.6 | ||||
| 884 | R | 27 | Very low | 29.1 | Very low | 225 Ų | 225 | 122.8 Ų | 122.8 | 85% | 0.849 | 73% | 0.732 | S | S | * | * | 46.2 | 140.5 | 117.6 | -60.9 | 174.8 | 177.5 | 151.3 | -0 | 118.4 | |||||
| 885 | V | 28.1 | Very low | 28.7 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 79% | 0.788 | 74% | 0.743 | S | S | * | * | -153.8 | 148.7 | 55.2 | 170.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 886 | S | 26.7 | Very low | 28.1 | Very low | 104 Ų | 104 | 131.5 Ų | 131.5 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | trans | -17.6 | 156.7 | 154.1 | -52.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 887 | S | 27.2 | Very low | 27.8 | Very low | 101 Ų | 101 | 132.5 Ų | 132.5 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | cis | -179.7 | 146 | -6.1 | 46.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 888 | V | 30.3 | Very low | 27.5 | Very low | 151 Ų | 151 | 134.9 Ų | 134.9 | 92% | 0.915 | 79% | 0.791 | S | S | * | * | trans | -140.2 | 150.7 | 151.2 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 889 | I | 27.5 | Very low | 27.5 | Very low | 168 Ų | 168 | 134.7 Ų | 134.7 | 86% | 0.862 | 80% | 0.799 | S | S | * | * | trans | -110.5 | 137.7 | -167.5 | -62.7 | 166.7 | 0 | 0 | 0 | 111.3 | ||||
| 890 | G | 25.4 | Very low | 27.5 | Very low | 77 Ų | 77 | 133.3 Ų | 133.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 117 | 68.8 | 146 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 891 | A | 29.9 | Very low | 27.4 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -164.1 | 152 | 146.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 892 | N | 28.4 | Very low | 27.5 | Very low | 163 Ų | 163 | 130.5 Ų | 130.5 | 87% | 0.872 | 79% | 0.79 | S | S | * | * | trans | -37.3 | 126.7 | -173.1 | -66.4 | -4.5 | 0 | 0 | 0 | 117 | ||||
| 893 | P | 27.9 | Very low | 27.5 | Very low | 130 Ų | 130 | 133.1 Ų | 133.1 | 84% | 0.844 | 80% | 0.802 | S | S | * | * | trans | -95.6 | 108.6 | 163.8 | 34.1 | -27.3 | 0 | 0 | 0 | 111.4 | ||||
| 894 | C | 25.3 | Very low | 27.4 | Very low | 117 Ų | 117 | 129.8 Ų | 129.8 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | trans | -149.8 | 163.4 | 160.4 | -151.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 895 | E | 27.6 | Very low | 27.3 | Very low | 183 Ų | 183 | 130 Ų | 130 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 60.6 | 47.2 | 174.3 | -55.7 | -168.8 | 150.3 | 0 | 0 | 117.6 | ||
| 896 | M | 27 | Very low | 27.4 | Very low | 173 Ų | 173 | 129.7 Ų | 129.7 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -139.8 | 83.5 | 154.6 | -76.2 | -154.8 | 80.1 | 0 | 0 | 112.4 | ||||
| 897 | V | 26.6 | Very low | 27.4 | Very low | 146 Ų | 146 | 129.7 Ų | 129.7 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -138.1 | 81.7 | 160.9 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 898 | I | 29.9 | Very low | 27.4 | Very low | 162 Ų | 162 | 130.6 Ų | 130.6 | 83% | 0.831 | 80% | 0.801 | S | S | * | * | trans | -93.4 | 114.9 | 167.4 | -62.5 | 179.1 | 0 | 0 | 0 | 106.6 | ||||
| 899 | S | 28.6 | Very low | 27.3 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -69 | 139.3 | 176.9 | -173.2 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 900 | A | 25.8 | Very low | 27.5 | Very low | 88 Ų | 88 | 126.6 Ų | 126.6 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -61.6 | 137.3 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 901 | A | 26.6 | Very low | 27.8 | Very low | 83 Ų | 83 | 125.2 Ų | 125.2 | 69% | 0.686 | 75% | 0.752 | S | S | * | * | trans | -151.6 | 142.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 902 | P | 27.3 | Very low | 28.3 | Very low | 105 Ų | 105 | 124.7 Ų | 124.7 | 68% | 0.682 | 74% | 0.736 | S | S | * | * | trans | -73.7 | 137.4 | -170.6 | 29.1 | -35.2 | 0 | 0 | 0 | 112.5 | G904 | P902-G904 PolarHBondContact O-N 2.95Š| ||
| 903 | V | 26.7 | Very low | 29 | Very low | 155 Ų | 155 | 120.3 Ų | 120.3 | 94% | 0.939 | 71% | 0.71 | S | S | * | * | S | Bend | trans | 21.5 | 71.4 | 158.2 | -165.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 904 | G | 25.2 | Very low | 29.6 | Very low | 64 Ų | 64 | 117.7 Ų | 117.7 | 66% | 0.66 | 70% | 0.695 | S | S | * | * | trans | -134.1 | 118.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | P902 | P902-G904 PolarHBondContact O-N 2.95Š| ||
| 905 | R | 26.6 | Very low | 30.3 | Very low | 231 Ų | 231 | 113.6 Ų | 113.6 | 87% | 0.872 | 67% | 0.67 | S | S | * | * | trans | 68.1 | 94.5 | -172.1 | -51.1 | 179.8 | -177.1 | -161.5 | -2 | 113.3 | ||||
| 906 | T | 29.3 | Very low | 31.2 | Very low | 122 Ų | 122 | 106 Ų | 106 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | trans | -50.5 | 151.2 | 142.1 | 43.8 | 0 | 0 | 0 | 0 | 109.2 | C908 | T906-C908 PolarHBondContact O-N 3.32Š| ||
| 907 | P | 25.7 | Very low | 32.3 | Very low | 104 Ų | 104 | 100.4 Ų | 100.4 | 68% | 0.675 | 61% | 0.606 | S | S | * | * | trans | -59.8 | 115.4 | 163.6 | 26.8 | -32 | 0 | 0 | 0 | 107 | L909 | P907-L909 PolarHBondContact O-N 3.49Š| ||
| 908 | C | 28.4 | Very low | 33.2 | Very low | 120 Ų | 120 | 95.6 Ų | 95.6 | 81% | 0.811 | 58% | 0.582 | S | S | * | * | trans | -69.3 | 83.5 | 168.7 | 44.2 | 0 | 0 | 0 | 0 | 107.4 | T906 N910 | T906-C908 PolarHBondContact O-N 3.32Å; C908-N910 PolarHBondContact O-N 3.44Å | ||
| 909 | L | 28.5 | Very low | 33.7 | Very low | 114 Ų | 114 | 88.1 Ų | 88.1 | 60% | 0.597 | 55% | 0.545 | S | S | * | . | trans | -63.4 | 86.3 | 172.3 | -72.6 | 177.5 | 0 | 0 | 0 | 107.8 | P907 T911 | P907-L909 PolarHBondContact O-N 3.49Å; L909-T911 HydrophobicContact CB-CG2 4.05Å; L909-T911 HydrophobicContact CD2-CG2 4.16Å; L909-T911 PolarHBondContact O-N 3.22Å; L909-T911 PolarHBondContact O-OG1 3Å | ||
| 910 | N | 32.2 | Very low | 34.5 | Very low | 121 Ų | 121 | 83.8 Ų | 83.8 | 65% | 0.647 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | 33.4 | 174.2 | -150.8 | 12.8 | 0 | 0 | 0 | 111.1 | C908 D912 S914 | C908-N910 PolarHBondContact O-N 3.44Å; N910-D912 VanDerWaalsContact C-N 3.32Å; N910-S914 PolarHBondContact O-N 3.24Å |
| 911 | T | 31.7 | Very low | 35.6 | Very low | 49 Ų | 49 | 82.1 Ų | 82.1 | 30% | 0.301 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -84.7 | -9 | -179 | 62.8 | 0 | 0 | 0 | 0 | 111.1 | R777 L909 A915 | R777-T911 PolarHBondContact NH1-O 3.45Å; R777-T911 PolarHBondContact NH2-O 2.9Å; R777-T911 PolarHBondContact NH2-OG1 3.29Å; L909-T911 HydrophobicContact CB-CG2 4.05Å; L909-T911 HydrophobicContact CD2-CG2 4.16Å; L909-T911 PolarHBondContact O-N 3.22Å; L909-T911 PolarHBondContact O-OG1 3Å; T911-A915 WeakPolarHBondContact O-CB 3.18Å; T911-A915 PolarHBondContact O-N 2.96Å |
| 912 | D | 39.5 | Very low | 36.6 | Very low | 86 Ų | 86 | 78.2 Ų | 78.2 | 46% | 0.46 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -59.6 | -57.5 | 162.3 | -80.7 | -17.6 | 0 | 0 | 0 | 109.6 | R777 N910 S914 A915 L916 | R777-D912 IonicContact CZ-OD1 3.71Å; R777-D912 IonicContact NH1-OD1 2.84Å; R777-D912 PolarHBondContact NH1-OD1 2.93Å; N910-D912 VanDerWaalsContact C-N 3.32Å; D912-S914 PolarHBondContact O-N 3.27Å; D912-A915 PolarHBondContact O-N 3.45Å; D912-L916 WeakPolarHBondContact O-CB 3.41Å; D912-L916 WeakPolarHBondContact O-CD1 3.32Å; D912-L916 PolarHBondContact O-N 3.47Å |
| 913 | Q | 42.1 | Very low | 37.4 | Very low | 71 Ų | 71 | 75 Ų | 75 | 33% | 0.332 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.6 | -55.8 | 176.6 | -170.4 | 67.5 | 21.3 | 0 | 0 | 111.5 | A915 L916 E917 | Q913-A915 VanDerWaalsContact C-N 3.33Å; Q913-A915 PolarHBondContact O-N 3.3Å; Q913-L916 PolarHBondContact O-N 3.01Å; Q913-E917 WeakPolarHBondContact CG-OE1 3.39Å; Q913-E917 PolarHBondContact NE2-OE1 3.47Å; Q913-E917 WeakPolarHBondContact O-CB 3.48Å; Q913-E917 WeakPolarHBondContact O-CG 3.46Å; Q913-E917 PolarHBondContact O-N 3Å |
| 914 | S | 41.6 | Very low | 38.1 | Very low | 75 Ų | 75 | 69.8 Ų | 69.8 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -63.8 | -31.9 | -176.7 | 178 | 0 | 0 | 0 | 0 | 113.9 | N910 D912 A918 | N910-S914 PolarHBondContact O-N 3.24Å; D912-S914 PolarHBondContact O-N 3.27Å; S914-A918 WeakPolarHBondContact O-CB 3.43Å; S914-A918 PolarHBondContact O-N 2.92Å |
| 915 | A | 39.2 | Very low | 38.7 | Very low | 31 Ų | 31 | 70.3 Ų | 70.3 | 26% | 0.256 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -82.6 | -29.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | R777 T911 D912 Q913 E917 A919 | R777-A915 VanDerWaalsContact NH2-CB 3.31Å; T911-A915 WeakPolarHBondContact O-CB 3.18Å; T911-A915 PolarHBondContact O-N 2.96Å; D912-A915 PolarHBondContact O-N 3.45Å; Q913-A915 VanDerWaalsContact C-N 3.33Å; Q913-A915 PolarHBondContact O-N 3.3Å; A915-E917 VanDerWaalsContact C-N 3.31Å; A915-A919 WeakPolarHBondContact O-CB 3.31Å; A915-A919 PolarHBondContact O-N 3.41Å |
| 916 | L | 48 | Very low | 39 | Very low | 22 Ų | 22 | 61.4 Ų | 61.4 | 12% | 0.115 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -68.2 | -32.2 | 167.5 | -91.3 | 93.5 | 0 | 0 | 0 | 111.4 | L428 C431 V497 D912 Q913 A919 A920 | L428-L916 HydrophobicContact CD1-CB 4.32Å; L428-L916 HydrophobicContact CD1-CD2 3.74Å; C431-L916 HydrophobicContact CB-CD2 4.2Å; V497-L916 HydrophobicContact CG1-CD1 3.75Å; V497-L916 HydrophobicContact CG1-CD2 4.49Å; V497-L916 HydrophobicContact CG1-CG 4.09Å; D912-L916 WeakPolarHBondContact O-CB 3.41Å; D912-L916 WeakPolarHBondContact O-CD1 3.32Å; D912-L916 PolarHBondContact O-N 3.47Å; Q913-L916 PolarHBondContact O-N 3.01Å; L916-A919 CarbonylContact O-C 3.44Å; L916-A919 PolarHBondContact O-N 3.36Å; L916-A920 VanDerWaalsContact O-CB 3.32Å; L916-A920 WeakPolarHBondContact O-CB 3.45Å; L916-A920 PolarHBondContact O-N 3.49Å |
| 917 | E | 48.3 | Very low | 39.2 | Very low | 56 Ų | 56 | 57.4 Ų | 57.4 | 26% | 0.262 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -73.1 | -41 | 173.3 | -73 | 168 | 172.2 | 0 | 0 | 111.6 | Q913 A915 A919 A920 S921 | Q913-E917 WeakPolarHBondContact CG-OE1 3.39Å; Q913-E917 PolarHBondContact NE2-OE1 3.47Å; Q913-E917 WeakPolarHBondContact O-CB 3.48Å; Q913-E917 WeakPolarHBondContact O-CG 3.46Å; Q913-E917 PolarHBondContact O-N 3Å; A915-E917 VanDerWaalsContact C-N 3.31Å; E917-A919 VanDerWaalsContact C-N 3.32Å; E917-A919 PolarHBondContact O-N 3.18Å; E917-A920 WeakPolarHBondContact O-CB 3.35Å; E917-A920 PolarHBondContact O-N 3.26Å; E917-S921 PolarHBondContact O-N 3.25Å |
| 918 | A | 46.4 | Very low | 39.5 | Very low | 46 Ų | 46 | 55.8 Ų | 55.8 | 38% | 0.38 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.1 | -40.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q490 S914 A920 S921 | Q490-A918 PolarHBondContact NE2-O 2.73Å; S914-A918 WeakPolarHBondContact O-CB 3.43Å; S914-A918 PolarHBondContact O-N 2.92Å; A918-A920 VanDerWaalsContact C-N 3.26Å; A918-A920 PolarHBondContact O-N 3.37Å; A918-S921 PolarHBondContact O-N 2.6Å; A918-S921 PolarHBondContact O-OG 2.86Å |
| 919 | A | 39.7 | Very low | 39.5 | Very low | 5 Ų | 5 | 54 Ų | 54 | 4% | 0.041 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -72.8 | -14.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | A427 A915 L916 E917 S921 V922 | A427-A919 HydrophobicContact CB-CB 4.1Å; A915-A919 WeakPolarHBondContact O-CB 3.31Å; A915-A919 PolarHBondContact O-N 3.41Å; L916-A919 CarbonylContact O-C 3.44Å; L916-A919 PolarHBondContact O-N 3.36Å; E917-A919 VanDerWaalsContact C-N 3.32Å; E917-A919 PolarHBondContact O-N 3.18Å; A919-S921 VanDerWaalsContact C-N 3.34Å; A919-V922 WeakPolarHBondContact O-CB 3.38Å; A919-V922 PolarHBondContact O-N 3.3Å |
| 920 | A | 46.4 | Very low | 39.6 | Very low | 12 Ų | 12 | 52.1 Ų | 52.1 | 10% | 0.099 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -79.1 | -18.9 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | P384 L428 L916 E917 A918 V922 | P384-A920 HydrophobicContact CG-CB 4.07Å; L428-A920 HydrophobicContact CB-CB 3.93Å; L428-A920 HydrophobicContact CD2-CB 3.57Å; L428-A920 HydrophobicContact CG-CB 4.39Å; L916-A920 VanDerWaalsContact O-CB 3.32Å; L916-A920 WeakPolarHBondContact O-CB 3.45Å; L916-A920 PolarHBondContact O-N 3.49Å; E917-A920 WeakPolarHBondContact O-CB 3.35Å; E917-A920 PolarHBondContact O-N 3.26Å; A918-A920 VanDerWaalsContact C-N 3.26Å; A918-A920 PolarHBondContact O-N 3.37Å; A920-V922 PolarHBondContact O-N 3.09Å |
| 921 | S | 48.3 | Very low | 39.7 | Very low | 52 Ų | 52 | 48.4 Ų | 48.4 | 36% | 0.364 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -9.4 | 167.7 | 74.3 | 0 | 0 | 0 | 0 | 113.3 | Q490 E917 A918 A919 T924 | Q490-S921 PolarHBondContact NE2-OG 3.06Å; E917-S921 PolarHBondContact O-N 3.25Å; A918-S921 PolarHBondContact O-N 2.6Å; A918-S921 PolarHBondContact O-OG 2.86Å; A919-S921 VanDerWaalsContact C-N 3.34Å; S921-T924 PolarHBondContact O-OG1 2.86Å |
| 922 | V | 47.2 | Very low | 39.6 | Very low | 2 Ų | 2 | 46.9 Ų | 46.9 | 1% | 0.012 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -76.4 | 128.8 | 169.1 | -172 | 0 | 0 | 0 | 0 | 108.8 | D425 L458 L461 Q490 A491 A919 A920 T924 | D425-V922 HydrophobicContact CB-CG1 4.45Å; D425-V922 WeakPolarHBondContact O-CG1 3.26Å; L458-V922 HydrophobicContact CD2-CG1 4.29Å; L461-V922 HydrophobicContact CD2-CG1 3.5Å; L461-V922 VanDerWaalsContact CD2-CG1 3.5Å; Q490-V922 HydrophobicContact CB-CG2 3.37Å; Q490-V922 HydrophobicContact CG-CG2 4.41Å; A491-V922 HydrophobicContact CB-CG1 4.25Å; A919-V922 WeakPolarHBondContact O-CB 3.38Å; A919-V922 PolarHBondContact O-N 3.3Å; A920-V922 PolarHBondContact O-N 3.09Å; V922-T924 VanDerWaalsContact C-N 3.34Å |
| 923 | G | 43.7 | Very low | 39.2 | Very low | 36 Ų | 36 | 43.3 Ų | 43.3 | 37% | 0.371 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 88.8 | -16.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 924 | T | 42.3 | Very low | 38.6 | Very low | 46 Ų | 46 | 42 Ų | 42 | 28% | 0.282 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -77.8 | 130.3 | 165.2 | 55.2 | 0 | 0 | 0 | 0 | 109.6 | L423 S921 V922 A926 | L423-T924 HydrophobicContact CD2-CG2 4.31Å; S921-T924 PolarHBondContact O-OG1 2.86Å; V922-T924 VanDerWaalsContact C-N 3.34Å; T924-A926 PolarHBondContact O-N 2.9Å; T924-A926 VanDerWaalsContact O-N 3.1Å |
| 925 | P | 36.8 | Very low | 38.1 | Very low | 75 Ų | 75 | 45 Ų | 45 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | trans | -55.9 | 118.8 | 172.5 | -24.3 | 33.9 | 0 | 0 | 0 | 109.9 | P927 | P925-P927 WeakPolarHBondContact O-CD 3.31Å; P925-P927 VanDerWaalsContact O-N 3.11Å | ||
| 926 | A | 34.4 | Very low | 37.8 | Very low | 45 Ų | 45 | 52.4 Ų | 52.4 | 37% | 0.372 | 32% | 0.318 | S | S | . | . | trans | -64.9 | 111.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | T924 D928 | T924-A926 PolarHBondContact O-N 2.9Å; T924-A926 VanDerWaalsContact O-N 3.1Å; A926-D928 PolarHBondContact O-N 3.11Å | ||
| 927 | P | 33.4 | Very low | 37.2 | Very low | 37 Ų | 37 | 52.9 Ų | 52.9 | 24% | 0.24 | 32% | 0.322 | C | S | . | . | trans | -67.4 | 137.4 | -179.1 | 29 | -33.3 | 0 | 0 | 0 | 108.5 | P925 T931 Y935 | P925-P927 WeakPolarHBondContact O-CD 3.31Å; P925-P927 VanDerWaalsContact O-N 3.11Å; P927-T931 WeakPolarHBondContact CB-O 3.22Å; P927-Y935 HydrophobicContact CG-CD2 4.3Å; P927-Y935 HydrophobicContact CG-CE2 4.09Å | ||
| 928 | D | 30.7 | Very low | 36.2 | Very low | 70 Ų | 70 | 53.6 Ų | 53.6 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | trans | -55.2 | 140 | 169.1 | 176.5 | 76 | 0 | 0 | 0 | 109.2 | R479 A926 S930 T931 | R479-D928 IonicContact CZ-OD1 3.83Å; R479-D928 IonicContact NH1-OD1 3.25Å; R479-D928 PolarHBondContact NH1-OD1 3.13Å; R479-D928 IonicContact NH2-OD1 3.77Å; R479-D928 PolarHBondContact NH2-OD1 3.17Å; A926-D928 PolarHBondContact O-N 3.11Å; D928-S930 PolarHBondContact O-N 3.16Å; D928-S930 WeakPolarHBondContact OD2-CB 3.34Å; D928-S930 PolarHBondContact OD2-N 3.43Å; D928-S930 PolarHBondContact OD2-OG 3.04Å; D928-T931 CarbonylContact O-C 3.41Å; D928-T931 WeakPolarHBondContact O-CA 3.36Å; D928-T931 WeakPolarHBondContact O-CB 3.45Å; D928-T931 PolarHBondContact O-N 2.95Å | ||
| 929 | P | 29.2 | Very low | 35.3 | Very low | 82 Ų | 82 | 55 Ų | 55 | 53% | 0.532 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -54.6 | -13.1 | -179.2 | 14 | -30.7 | 0 | 0 | 0 | 116.5 | T931 A932 | P929-T931 PolarHBondContact O-N 3.1Å; P929-A932 WeakPolarHBondContact O-CB 3.45Å |
| 930 | S | 31.8 | Very low | 34.8 | Very low | 76 Ų | 76 | 58 Ų | 58 | 53% | 0.531 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -58.9 | -23 | 162.7 | 57.9 | 0 | 0 | 0 | 0 | 114 | D928 | D928-S930 PolarHBondContact O-N 3.16Å; D928-S930 WeakPolarHBondContact OD2-CB 3.34Å; D928-S930 PolarHBondContact OD2-N 3.43Å; D928-S930 PolarHBondContact OD2-OG 3.04Å |
| 931 | T | 34.1 | Very low | 33.9 | Very low | 43 Ų | 43 | 64.7 Ų | 64.7 | 26% | 0.264 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -126.5 | 34.9 | -170.7 | -47.5 | 0 | 0 | 0 | 0 | 110.2 | V272 P927 D928 P929 A933 | V272-T931 HydrophobicContact CG1-CG2 3.84Å; P927-T931 WeakPolarHBondContact CB-O 3.22Å; D928-T931 CarbonylContact O-C 3.41Å; D928-T931 WeakPolarHBondContact O-CA 3.36Å; D928-T931 WeakPolarHBondContact O-CB 3.45Å; D928-T931 PolarHBondContact O-N 2.95Å; P929-T931 PolarHBondContact O-N 3.1Å; T931-A933 PolarHBondContact O-N 2.94Å |
| 932 | A | 28.8 | Very low | 33 | Very low | 17 Ų | 17 | 66.9 Ų | 66.9 | 14% | 0.14 | 42% | 0.416 | C | S | . | . | G | 310 helix | trans | -62.5 | 12.1 | -166.5 | 0 | 0 | 0 | 0 | 0 | 118.3 | P929 G934 Y935 | P929-A932 WeakPolarHBondContact O-CB 3.45Å; A932-G934 PolarHBondContact O-N 3.2Å; A932-G934 VanDerWaalsContact O-N 3.09Å; A932-Y935 PolarHBondContact O-N 3.42Å; A932-Y935 VanDerWaalsContact O-N 3.13Å |
| 933 | A | 30.8 | Very low | 32 | Very low | 11 Ų | 11 | 70.5 Ų | 70.5 | 9% | 0.091 | 44% | 0.44 | C | S | . | . | G | 310 helix | trans | -61.2 | -16.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | P274 L346 T931 | P274-A933 HydrophobicContact CB-CB 4.24Å; L346-A933 HydrophobicContact CD1-CB 4.19Å; T931-A933 PolarHBondContact O-N 2.94Å |
| 934 | G | 30 | Very low | 31.2 | Very low | 44 Ų | 44 | 74.2 Ų | 74.2 | 45% | 0.454 | 45% | 0.45 | S | S | . | . | G | 310 helix | trans | -76.5 | -27.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | A932 | A932-G934 PolarHBondContact O-N 3.2Å; A932-G934 VanDerWaalsContact O-N 3.09Å |
| 935 | Y | 30.8 | Very low | 30.5 | Very low | 138 Ų | 138 | 74.8 Ų | 74.8 | 54% | 0.541 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -11.9 | -172.4 | -73.4 | -74.2 | 0 | 0 | 0 | 114.6 | P927 A932 | P927-Y935 HydrophobicContact CG-CD2 4.3Å; P927-Y935 HydrophobicContact CG-CE2 4.09Å; A932-Y935 PolarHBondContact O-N 3.42Å; A932-Y935 VanDerWaalsContact O-N 3.13Å |
| 936 | Y | 32.2 | Very low | 30.1 | Very low | 186 Ų | 186 | 75.1 Ų | 75.1 | 73% | 0.729 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121 | 25.2 | -168.1 | -72.8 | -81.6 | 0 | 0 | 0 | 114.5 | ||
| 937 | T | 35.6 | Very low | 29.8 | Very low | 32 Ų | 32 | 76.5 Ų | 76.5 | 20% | 0.196 | 48% | 0.481 | C | S | . | . | S | Bend | trans | -121.4 | 9.4 | 169.1 | 77.3 | 0 | 0 | 0 | 0 | 114.6 | Y347 K383 | Y347-T937 HydrophobicContact CD1-CG2 3.71Å; Y347-T937 HydrophobicContact CE1-CG2 4.09Å; K383-T937 PolarHBondContact NZ-OG1 2.93Å |
| 938 | A | 28.6 | Very low | 29.6 | Very low | 71 Ų | 71 | 82.2 Ų | 82.2 | 59% | 0.587 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -118.8 | 91.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 939 | G | 27.6 | Very low | 29.4 | Very low | 76 Ų | 76 | 82 Ų | 82 | 78% | 0.784 | 52% | 0.522 | S | S | * | . | S | Bend | trans | 131.1 | 105.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 940 | G | 27.9 | Very low | 29.3 | Very low | 68 Ų | 68 | 84.3 Ų | 84.3 | 70% | 0.701 | 53% | 0.53 | S | S | * | . | S | Bend | trans | 150.7 | -44.5 | 169.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 941 | Y | 28.1 | Very low | 29.1 | Very low | 152 Ų | 152 | 86.7 Ų | 86.7 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | S | Bend | trans | -131.9 | 41.2 | -155.8 | -77.7 | -80.8 | 0 | 0 | 0 | 117.4 | ||
| 942 | E | 28.9 | Very low | 28.7 | Very low | 98 Ų | 98 | 91 Ų | 91 | 46% | 0.458 | 57% | 0.573 | S | S | . | * | trans | -159.3 | 117.8 | 147.7 | -137 | -178.5 | -139.9 | 0 | 0 | 112.5 | K356 H389 A945 | K356-E942 IonicContact NZ-OE1 2.71Å; K356-E942 PolarHBondContact NZ-OE1 3.07Å; H389-E942 IonicContact CE1-OE2 3.31Å; E942-A945 WeakPolarHBondContact OE2-CB 3.49Å | ||
| 943 | P | 25.8 | Very low | 28.5 | Very low | 77 Ų | 77 | 93.6 Ų | 93.6 | 50% | 0.5 | 60% | 0.602 | S | S | . | * | trans | -104 | 179.9 | 153.9 | 11.3 | 8.9 | 0 | 0 | 0 | 111.2 | A945 Y996 | P943-A945 PolarHBondContact O-N 3.18Å; P943-Y996 HydrophobicContact CB-CE1 4.3Å; P943-Y996 WeakPolarHBondContact CB-OH 3.49Å; P943-Y996 WeakPolarHBondContact CD-OH 3.46Å; P943-Y996 HydrophobicContact CG-CE1 4.45Å; P943-Y996 HydrophobicContact CG-CE2 4.17Å; P943-Y996 VanDerWaalsContact CG-OH 3.23Å; P943-Y996 WeakPolarHBondContact CG-OH 3.46Å; P943-Y996 PolarHBondContact O-OH 2.85Å | ||
| 944 | L | 26.8 | Very low | 28.3 | Very low | 114 Ų | 114 | 101 Ų | 101 | 60% | 0.597 | 64% | 0.639 | S | S | * | * | S | Bend | trans | 70.7 | -28.8 | 179.4 | -85.1 | 172.4 | 0 | 0 | 0 | 120.6 | A946 A947 Y996 | L944-A946 PolarHBondContact O-N 3.21Å; L944-A947 HydrophobicContact CD2-CB 4.28Å; L944-A947 PolarHBondContact O-N 2.88Å; L944-Y996 WeakPolarHBondContact CB-OH 3.45Å; L944-Y996 HydrophobicContact CD1-CD1 4.2Å; L944-Y996 HydrophobicContact CD1-CE1 3.46Å; L944-Y996 VanDerWaalsContact CD1-CE1 3.46Å; L944-Y996 HydrophobicContact CD1-CE2 4.5Å; L944-Y996 WeakPolarHBondContact CD1-OH 3.49Å; L944-Y996 HydrophobicContact CG-CE1 3.61Å; L944-Y996 WeakPolarHBondContact CG-OH 3.33Å; L944-Y996 PolarHBondContact N-OH 2.94Å |
| 945 | A | 28.9 | Very low | 28.3 | Very low | 59 Ų | 59 | 104.3 Ų | 104.3 | 49% | 0.488 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -60.3 | -17.9 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | E942 P943 | E942-A945 WeakPolarHBondContact OE2-CB 3.49Å; P943-A945 PolarHBondContact O-N 3.18Å |
| 946 | A | 28.6 | Very low | 28.2 | Very low | 82 Ų | 82 | 103 Ų | 103 | 68% | 0.678 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 5.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | L944 L948 | L944-A946 PolarHBondContact O-N 3.21Å; A946-L948 VanDerWaalsContact C-N 3.28Å; A946-L948 PolarHBondContact O-N 2.81Å |
| 947 | A | 27.9 | Very low | 28 | Very low | 74 Ų | 74 | 100 Ų | 100 | 61% | 0.612 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -75.9 | -10.7 | -175 | 0 | 0 | 0 | 0 | 0 | 114.7 | L944 | L944-A947 HydrophobicContact CD2-CB 4.28Å; L944-A947 PolarHBondContact O-N 2.88Å |
| 948 | L | 27.8 | Very low | 27.9 | Very low | 157 Ų | 157 | 104.9 Ų | 104.9 | 82% | 0.822 | 69% | 0.694 | S | S | * | * | trans | -104.3 | 51.8 | -175.7 | -67 | 172.6 | 0 | 0 | 0 | 112.2 | A946 | A946-L948 VanDerWaalsContact C-N 3.28Å; A946-L948 PolarHBondContact O-N 2.81Å | ||
| 949 | G | 27.2 | Very low | 27.9 | Very low | 65 Ų | 65 | 107.3 Ų | 107.3 | 67% | 0.67 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -97.3 | 13.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 950 | N | 27.9 | Very low | 28 | Very low | 131 Ų | 131 | 110.7 Ų | 110.7 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -158.8 | 36.8 | -172.5 | -135.6 | 58.5 | 0 | 0 | 0 | 116.9 | ||
| 951 | T | 27.1 | Very low | 27.9 | Very low | 126 Ų | 126 | 111 Ų | 111 | 77% | 0.773 | 71% | 0.713 | S | S | * | * | trans | -153.9 | 145.8 | 162.3 | 30.9 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 952 | S | 25.1 | Very low | 28 | Very low | 132 Ų | 132 | 111.7 Ų | 111.7 | 92% | 0.923 | 73% | 0.725 | S | S | * | * | trans | -77 | 129.9 | 167.2 | -47.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 953 | G | 25.7 | Very low | 28 | Very low | 72 Ų | 72 | 112.8 Ų | 112.8 | 74% | 0.742 | 74% | 0.74 | S | S | * | * | trans | 162.6 | 133.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 954 | L | 25.4 | Very low | 28.1 | Very low | 166 Ų | 166 | 115.6 Ų | 115.6 | 87% | 0.869 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 141 | 167.5 | -71.2 | 160.5 | 0 | 0 | 0 | 109.7 | ||
| 955 | P | 30.5 | Very low | 28.1 | Very low | 114 Ų | 114 | 118.8 Ų | 118.8 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 136.6 | 169.2 | 28.9 | -33.3 | 0 | 0 | 0 | 110 | ||
| 956 | P | 27.4 | Very low | 27.9 | Very low | 111 Ų | 111 | 121.5 Ų | 121.5 | 72% | 0.721 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 153.7 | 176.7 | 30.8 | -35.1 | 0 | 0 | 0 | 111.6 | ||
| 957 | P | 30 | Very low | 28 | Very low | 123 Ų | 123 | 123.4 Ų | 123.4 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 142.6 | 175.9 | 28.6 | -35 | 0 | 0 | 0 | 111.6 | P959 | P957-P959 WeakPolarHBondContact O-CD 3.49Š|
| 958 | V | 32.1 | Very low | 28 | Very low | 135 Ų | 135 | 125.4 Ų | 125.4 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 126.2 | -176.3 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | ||
| 959 | P | 29.9 | Very low | 28 | Very low | 122 Ų | 122 | 124.3 Ų | 124.3 | 79% | 0.792 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 132.5 | 172.6 | -18.4 | 32.5 | 0 | 0 | 0 | 112.3 | P957 | P957-P959 WeakPolarHBondContact O-CD 3.49Š|
| 960 | T | 28.3 | Very low | 28.1 | Very low | 147 Ų | 147 | 125.9 Ų | 125.9 | 90% | 0.902 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77.5 | 129.4 | 176 | 52 | 0 | 0 | 0 | 0 | 112.4 | ||
| 961 | G | 26.8 | Very low | 28.1 | Very low | 74 Ų | 74 | 126.7 Ų | 126.7 | 76% | 0.763 | 80% | 0.804 | S | S | * | * | trans | 133.1 | 91.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 962 | I | 30.4 | Very low | 28.1 | Very low | 167 Ų | 167 | 128.9 Ų | 128.9 | 86% | 0.856 | 81% | 0.811 | S | S | * | * | trans | -135.4 | 138.1 | 158.1 | -60.9 | -177.6 | 0 | 0 | 0 | 107.5 | ||||
| 963 | P | 28 | Very low | 28.3 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -83.8 | 150.9 | -173.3 | -3.6 | 22.1 | 0 | 0 | 0 | 113.4 | ||||
| 964 | V | 27.5 | Very low | 28.5 | Very low | 137 Ų | 137 | 128.4 Ų | 128.4 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -77.2 | 130.9 | 173.5 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 965 | M | 27 | Very low | 28.8 | Very low | 180 Ų | 180 | 127.1 Ų | 127.1 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -105.3 | 125 | 163.9 | -76.7 | -170.9 | 67.5 | 0 | 0 | 110.6 | ||||
| 966 | T | 25.2 | Very low | 28.9 | Very low | 116 Ų | 116 | 126.1 Ų | 126.1 | 71% | 0.712 | 80% | 0.799 | S | S | * | * | trans | -84.2 | 132.5 | 179.8 | 51.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 967 | P | 30.7 | Very low | 28.9 | Very low | 122 Ų | 122 | 128 Ų | 128 | 79% | 0.792 | 80% | 0.803 | S | S | * | * | trans | -86.6 | 107.7 | 169.9 | 32.5 | -30.8 | 0 | 0 | 0 | 111.5 | ||||
| 968 | S | 29 | Very low | 29 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 81% | 0.811 | 80% | 0.804 | S | S | * | * | trans | -76.1 | 123.1 | 169.9 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 969 | V | 27.7 | Very low | 28.7 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 81% | 0.812 | 80% | 0.799 | S | S | * | * | trans | -80.2 | 129.5 | 174.4 | 177.9 | 0 | 0 | 0 | 0 | 110.3 | I971 | V969-I971 HydrophobicContact CG1-CG1 4.27Š| ||
| 970 | A | 28.9 | Very low | 28.7 | Very low | 99 Ų | 99 | 126.9 Ų | 126.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -126.8 | 126.1 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 971 | I | 26.8 | Very low | 28.6 | Very low | 147 Ų | 147 | 125.4 Ų | 125.4 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | -99.2 | 130.6 | -172.2 | -60.4 | 168.2 | 0 | 0 | 0 | 110.4 | V969 | V969-I971 HydrophobicContact CG1-CG1 4.27Š| ||
| 972 | L | 27.9 | Very low | 28.5 | Very low | 172 Ų | 172 | 125.6 Ų | 125.6 | 90% | 0.901 | 79% | 0.794 | S | S | * | * | trans | -141.6 | 129.6 | 158.5 | -83 | 177.9 | 0 | 0 | 0 | 110.5 | ||||
| 973 | P | 30.3 | Very low | 28.2 | Very low | 122 Ų | 122 | 122.5 Ų | 122.5 | 79% | 0.792 | 79% | 0.793 | S | S | * | * | trans | -106 | 157.1 | -175.6 | 38.5 | -34.2 | 0 | 0 | 0 | 114.6 | ||||
| 974 | G | 28.2 | Very low | 28 | Very low | 73 Ų | 73 | 122 Ų | 122 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 151.1 | 152.4 | 150.7 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 975 | V | 33.4 | Very low | 27.9 | Very low | 139 Ų | 139 | 118.8 Ų | 118.8 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | 81.6 | 70.8 | 155 | -160.7 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 976 | S | 32.2 | Very low | 27.8 | Very low | 92 Ų | 92 | 119 Ų | 119 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | 46.3 | 120.3 | 125.8 | 65 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 977 | D | 27.1 | Very low | 27.8 | Very low | 150 Ų | 150 | 120 Ų | 120 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | 47.7 | 119.2 | 126.1 | -51.4 | -18 | 0 | 0 | 0 | 122.4 | |||||
| 978 | T | 31.7 | Very low | 27.7 | Very low | 135 Ų | 135 | 119 Ų | 119 | 83% | 0.828 | 81% | 0.806 | S | S | * | * | -168.2 | 120.7 | 116.5 | 11 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 979 | S | 26.5 | Very low | 27.5 | Very low | 101 Ų | 101 | 120.3 Ų | 120.3 | 71% | 0.706 | 80% | 0.804 | S | S | * | * | trans | 66.7 | 129.7 | 138.6 | 66.3 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 980 | T | 29.3 | Very low | 27.6 | Very low | 122 Ų | 122 | 117.9 Ų | 117.9 | 75% | 0.748 | 80% | 0.798 | S | S | * | * | trans | 66.8 | 95.4 | 142.9 | 40.3 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 981 | S | 25.2 | Very low | 27.7 | Very low | 116 Ų | 116 | 120.3 Ų | 120.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | 30.6 | 118.3 | 124 | 61.8 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 982 | G | 25.1 | Very low | 27.8 | Very low | 77 Ų | 77 | 116.9 Ų | 116.9 | 79% | 0.794 | 78% | 0.78 | S | S | * | * | trans | -174.2 | 37.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 983 | A | 24.3 | Very low | 27.9 | Very low | 102 Ų | 102 | 113.3 Ų | 113.3 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | 64.5 | 146.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 984 | A | 24.7 | Very low | 27.8 | Very low | 110 Ų | 110 | 117.1 Ų | 117.1 | 91% | 0.909 | 77% | 0.766 | S | S | * | * | trans | 50.7 | 70.8 | 154.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 985 | G | 24.7 | Very low | 27.9 | Very low | 70 Ų | 70 | 122.9 Ų | 122.9 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -100.9 | 137.5 | 164.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 986 | L | 24.8 | Very low | 27.6 | Very low | 183 Ų | 183 | 121.1 Ų | 121.1 | 96% | 0.958 | 75% | 0.745 | S | S | * | * | trans | -71.8 | 127.3 | 173.5 | -68.6 | 152.3 | 0 | 0 | 0 | 110.3 | ||||
| 987 | T | 26.4 | Very low | 27.2 | Very low | 138 Ų | 138 | 122.8 Ų | 122.8 | 85% | 0.847 | 75% | 0.752 | S | S | * | * | trans | -120 | 94.9 | 168.9 | 52.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 988 | A | 26.7 | Very low | 27.2 | Very low | 101 Ų | 101 | 119.8 Ų | 119.8 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | trans | -73.5 | 130.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 989 | D | 26.6 | Very low | 27 | Very low | 143 Ų | 143 | 120 Ų | 120 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | trans | -77.9 | 137.7 | -169.7 | -149.2 | -30.3 | 0 | 0 | 0 | 112.5 | ||||
| 990 | A | 28.6 | Very low | 27.1 | Very low | 83 Ų | 83 | 121.3 Ų | 121.3 | 69% | 0.686 | 75% | 0.753 | S | S | * | * | G | 310 helix | trans | -87.2 | -10.6 | -164.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 991 | Y | 30.4 | Very low | 26.9 | Very low | 151 Ų | 151 | 119.7 Ų | 119.7 | 59% | 0.592 | 76% | 0.76 | S | S | * | * | G | 310 helix | trans | -82.9 | -15.2 | -170 | -118.8 | -85.4 | 0 | 0 | 0 | 115.4 | T993 | Y991-T993 VanDerWaalsContact C-N 3.28Å; Y991-T993 PolarHBondContact O-N 3.1Å |
| 992 | A | 29.8 | Very low | 27.1 | Very low | 74 Ų | 74 | 118.9 Ų | 118.9 | 61% | 0.612 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -70.5 | -18.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | Y996 | A992-Y996 WeakPolarHBondContact O-CD2 3.25Š|
| 993 | T | 29.3 | Very low | 27.1 | Very low | 98 Ų | 98 | 121.3 Ų | 121.3 | 60% | 0.601 | 77% | 0.766 | S | S | * | * | G | 310 helix | trans | -81.7 | -20.7 | -166.9 | -47.2 | 0 | 0 | 0 | 0 | 114 | Y991 Y995 | Y991-T993 VanDerWaalsContact C-N 3.28Å; Y991-T993 PolarHBondContact O-N 3.1Å; T993-Y995 PolarHBondContact O-N 2.77Å |
| 994 | Y | 29.4 | Very low | 27.4 | Very low | 202 Ų | 202 | 121.9 Ų | 121.9 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -81.7 | -9.4 | -163.6 | -130.5 | -86.5 | 0 | 0 | 0 | 116 | ||
| 995 | Y | 30.2 | Very low | 27.7 | Very low | 194 Ų | 194 | 122.9 Ų | 122.9 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -122.2 | 12.8 | -178.9 | -75.5 | -80.9 | 0 | 0 | 0 | 113.7 | T993 | T993-Y995 PolarHBondContact O-N 2.77Š|
| 996 | Y | 26.9 | Very low | 27.7 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 40% | 0.4 | 76% | 0.764 | S | S | . | * | trans | -128.7 | 27.3 | -157.8 | -85.5 | -95.7 | 0 | 0 | 0 | 115.7 | P943 L944 A992 | P943-Y996 HydrophobicContact CB-CE1 4.3Å; P943-Y996 WeakPolarHBondContact CB-OH 3.49Å; P943-Y996 WeakPolarHBondContact CD-OH 3.46Å; P943-Y996 HydrophobicContact CG-CE1 4.45Å; P943-Y996 HydrophobicContact CG-CE2 4.17Å; P943-Y996 VanDerWaalsContact CG-OH 3.23Å; P943-Y996 WeakPolarHBondContact CG-OH 3.46Å; P943-Y996 PolarHBondContact O-OH 2.85Å; L944-Y996 WeakPolarHBondContact CB-OH 3.45Å; L944-Y996 HydrophobicContact CD1-CD1 4.2Å; L944-Y996 HydrophobicContact CD1-CE1 3.46Å; L944-Y996 VanDerWaalsContact CD1-CE1 3.46Å; L944-Y996 HydrophobicContact CD1-CE2 4.5Å; L944-Y996 WeakPolarHBondContact CD1-OH 3.49Å; L944-Y996 HydrophobicContact CG-CE1 3.61Å; L944-Y996 WeakPolarHBondContact CG-OH 3.33Å; L944-Y996 PolarHBondContact N-OH 2.94Å; A992-Y996 WeakPolarHBondContact O-CD2 3.25Å | ||
| 997 | T | 24.6 | Very low | 27.8 | Very low | 127 Ų | 127 | 123.2 Ų | 123.2 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -115.3 | 58.9 | -169.9 | 44.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 998 | A | 26.6 | Very low | 27.9 | Very low | 86 Ų | 86 | 122.2 Ų | 122.2 | 71% | 0.711 | 75% | 0.753 | S | S | * | * | trans | -140.7 | 131.3 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 999 | T | 26.5 | Very low | 28.1 | Very low | 140 Ų | 140 | 124.3 Ų | 124.3 | 86% | 0.859 | 76% | 0.755 | S | S | * | * | trans | 51.9 | 90.1 | 160.2 | 57.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1000 | T | 28.4 | Very low | 28.1 | Very low | 128 Ų | 128 | 124.7 Ų | 124.7 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -126.7 | 94.7 | 139.4 | 58.9 | 0 | 0 | 0 | 0 | 109.9 | A1002 | T1000-A1002 PolarHBondContact O-N 2.97Š| ||
| 1001 | G | 25.1 | Very low | 28.2 | Very low | 88 Ų | 88 | 127.3 Ų | 127.3 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | trans | -79.6 | 95.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1002 | A | 30.1 | Very low | 28.3 | Very low | 99 Ų | 99 | 125.9 Ų | 125.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -87.2 | 127.6 | 173 | 0 | 0 | 0 | 0 | 0 | 110.8 | T1000 S1004 | T1000-A1002 PolarHBondContact O-N 2.97Å; A1002-S1004 PolarHBondContact O-N 3.1Å | ||
| 1003 | S | 25.6 | Very low | 28.3 | Very low | 129 Ų | 129 | 127.3 Ų | 127.3 | 90% | 0.902 | 78% | 0.783 | S | S | * | * | trans | -78.3 | 117.8 | 176.4 | 179.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1004 | S | 30.5 | Very low | 28.5 | Very low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -151.2 | 121.6 | 162.5 | -165.1 | 0 | 0 | 0 | 0 | 113.8 | A1002 | A1002-S1004 PolarHBondContact O-N 3.1Š| ||
| 1005 | V | 29.6 | Very low | 28.7 | Very low | 132 Ų | 132 | 123.1 Ų | 123.1 | 80% | 0.8 | 79% | 0.788 | S | S | * | * | trans | -20.4 | 121.9 | 169.6 | -174.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1006 | L | 25.3 | Very low | 28.7 | Very low | 163 Ų | 163 | 120.8 Ų | 120.8 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -6.8 | 123.9 | 147.7 | -65.6 | 163.2 | 0 | 0 | 0 | 119.2 | ||||
| 1007 | A | 28.2 | Very low | 29.1 | Very low | 97 Ų | 97 | 121.6 Ų | 121.6 | 80% | 0.802 | 80% | 0.804 | S | S | * | * | trans | -157.5 | 112.2 | 141.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1008 | P | 28.4 | Very low | 29.5 | Very low | 116 Ų | 116 | 121.8 Ų | 121.8 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | trans | -93.6 | 140.9 | 177.3 | 34.6 | -31.9 | 0 | 0 | 0 | 112.6 | ||||
| 1009 | V | 30.4 | Very low | 29.9 | Very low | 146 Ų | 146 | 124.8 Ų | 124.8 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | trans | -128.6 | 130.6 | 167.1 | -180 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1010 | I | 26.7 | Very low | 30.3 | Very low | 150 Ų | 150 | 122.8 Ų | 122.8 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -106.4 | 132.2 | -170.5 | -60.2 | 159.5 | 0 | 0 | 0 | 110.2 | ||||
| 1011 | V | 30.3 | Very low | 30.7 | Very low | 138 Ų | 138 | 121.2 Ų | 121.2 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -144.9 | 139.9 | 149.9 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 1012 | P | 32.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 79% | 0.786 | 79% | 0.786 | S | S | * | * | trans | -106.6 | -172.2 | -164.1 | 41.8 | -36.5 | 0 | 0 | 0 | 116 | ||||
| 1013 | A | 30.1 | Very low | 31.6 | Very low | 104 Ų | 104 | 123 Ų | 123 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -96.8 | 162.2 | -164.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 1014 | A | 33.3 | Very low | 32.1 | Very low | 95 Ų | 95 | 120.1 Ų | 120.1 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | -170.2 | 154.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1015 | V | 33.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | cis | -163.8 | 138.8 | -10.9 | 122.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1016 | D | 30.6 | Very low | 32.7 | Very low | 144 Ų | 144 | 122.1 Ų | 122.1 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | 44.9 | 164.3 | 154.4 | -50.3 | -28.3 | 0 | 0 | 0 | 120.9 | ||||
| 1017 | V | 35.4 | Very low | 33.3 | Very low | 119 Ų | 119 | 119.8 Ų | 119.8 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | -163.5 | 125.5 | 50.7 | 164.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 1018 | N | 33.2 | Very low | 33.6 | Very low | 131 Ų | 131 | 120.2 Ų | 120.2 | 70% | 0.701 | 78% | 0.781 | S | S | * | * | trans | 71.7 | 131.5 | 144.4 | -79.4 | -16.5 | 0 | 0 | 0 | 127.8 | ||||
| 1019 | L | 33.8 | Very low | 33.9 | Very low | 149 Ų | 149 | 122.4 Ų | 122.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | trans | 68.9 | 143.5 | 130.8 | -61.6 | 167.9 | 0 | 0 | 0 | 120.9 | ||||
| 1020 | S | 35.3 | Very low | 34 | Very low | 99 Ų | 99 | 121.6 Ų | 121.6 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | cis | -172.5 | 155 | -10.8 | 51.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1021 | A | 36.6 | Very low | 34.4 | Very low | 95 Ų | 95 | 120.9 Ų | 120.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | 70.6 | 146.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 1022 | S | 36.7 | Very low | 34.4 | Very low | 100 Ų | 100 | 119.1 Ų | 119.1 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | cis | -166.9 | 142.9 | -12.6 | 47.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1023 | S | 38.4 | Very low | 34.5 | Very low | 124 Ų | 124 | 120 Ų | 120 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | 57.2 | 138.9 | 155.7 | 58.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 1024 | G | 36 | Very low | 34.5 | Very low | 69 Ų | 69 | 120.4 Ų | 120.4 | 71% | 0.711 | 77% | 0.771 | S | S | * | * | cis | 164.3 | -170.4 | -5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1025 | V | 37.2 | Very low | 34.5 | Very low | 155 Ų | 155 | 122.5 Ų | 122.5 | 94% | 0.939 | 77% | 0.774 | S | S | * | * | trans | 86 | 121.6 | 174.7 | -167.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1026 | T | 34.9 | Very low | 34.5 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -113.8 | 151.8 | -164.6 | 49.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1027 | S | 37.1 | Very low | 34.5 | Very low | 114 Ų | 114 | 123.1 Ų | 123.1 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | -171.5 | 124.7 | 123.9 | 54.7 | 0 | 0 | 0 | 0 | 109.2 | |||||
| 1028 | S | 34.7 | Very low | 34.4 | Very low | 107 Ų | 107 | 122.6 Ų | 122.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | cis | 87.5 | 100 | 47.4 | 176.7 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1029 | I | 36.1 | Very low | 34.4 | Very low | 161 Ų | 161 | 121.4 Ų | 121.4 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | -159.4 | 146.9 | 124.7 | -101.4 | 156.3 | 0 | 0 | 0 | 108.7 | |||||
| 1030 | V | 31 | Very low | 34.5 | Very low | 129 Ų | 129 | 120 Ų | 120 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -135 | 133.3 | -176.3 | 172.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1031 | T | 35.5 | Very low | 34.6 | Very low | 135 Ų | 135 | 123.4 Ų | 123.4 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -153.3 | 134.3 | 148.3 | -34.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1032 | S | 30.3 | Very low | 34.6 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -117.9 | 143.6 | 176.2 | 51.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1033 | V | 34.3 | Very low | 34.6 | Very low | 139 Ų | 139 | 124.3 Ų | 124.3 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -139.3 | 137.5 | 163.1 | -177.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 1034 | T | 30.2 | Very low | 35.3 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -126.8 | 168.9 | -179.3 | 50.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1035 | T | 33.4 | Very low | 35.5 | Very low | 138 Ų | 138 | 131.5 Ų | 131.5 | 85% | 0.847 | 82% | 0.819 | S | S | * | * | trans | 70.2 | 143.8 | -179.1 | 75.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1036 | S | 34.5 | Very low | 35.4 | Very low | 112 Ų | 112 | 130.3 Ų | 130.3 | 78% | 0.783 | 81% | 0.813 | S | S | * | * | cis | -150.5 | 172.1 | 32.2 | 51.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1037 | L | 30.2 | Very low | 35.4 | Very low | 163 Ų | 163 | 130.3 Ų | 130.3 | 85% | 0.853 | 81% | 0.813 | S | S | * | * | trans | -91.4 | 149.1 | 168.8 | -59.9 | 94.5 | 0 | 0 | 0 | 110.9 | ||||
| 1038 | S | 33.6 | Very low | 35.3 | Very low | 109 Ų | 109 | 131.2 Ų | 131.2 | 76% | 0.762 | 81% | 0.814 | S | S | * | * | 169.7 | 123.1 | 118.5 | -74.3 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 1039 | S | 33.2 | Very low | 35.3 | Very low | 105 Ų | 105 | 132.6 Ų | 132.6 | 73% | 0.734 | 82% | 0.818 | S | S | * | * | trans | 70.9 | 162.5 | 135.2 | 71.1 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1040 | T | 36.3 | Very low | 35.3 | Very low | 120 Ų | 120 | 130.8 Ų | 130.8 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | 72 | 87.1 | 160.8 | 50 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 1041 | I | 36.2 | Very low | 35.6 | Very low | 170 Ų | 170 | 130.9 Ų | 130.9 | 87% | 0.872 | 82% | 0.82 | S | S | * | * | 37.2 | 119.3 | 109.7 | -55 | 166.4 | 0 | 0 | 0 | 118.5 | |||||
| 1042 | S | 37.9 | Very low | 35.6 | Very low | 118 Ų | 118 | 130.6 Ų | 130.6 | 83% | 0.825 | 82% | 0.82 | S | S | * | * | -155.7 | 143.7 | 128.1 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 1043 | A | 35 | Very low | 36 | Very low | 96 Ų | 96 | 132.9 Ų | 132.9 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | trans | -82.7 | 169.3 | 166.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 1044 | G | 53.1 | Low | 36.1 | Very low | 73 Ų | 73 | 132.4 Ų | 132.4 | 75% | 0.753 | 83% | 0.827 | S | S | * | * | trans | -162.4 | -1.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1045 | Q | 40 | Very low | 36.7 | Very low | 271 Ų | 271 | 134.1 Ų | 134.1 | 100% | 1.266 | 84% | 0.839 | S | S | * | * | trans | -167.7 | 0 | 154.4 | -113.8 | 172.6 | 1 | 0 | 0 | 110.9 |
Retrieved 1,045 of 1,045 residues in 1359.7 ms
(Link to these results)