| 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 | 44.3 | Very low | 72.1 | Confident | 242 Ų | 242 | 107.3 Ų | 107.3 | 100% | 1.192 | 56% | 0.555 | S | S | * | * | 0 | 89.9 | 0 | -85.5 | 105.4 | 169.5 | 0 | 0 | 108.3 | |||||
| 2 | T | 50.7 | Low | 73.4 | Confident | 113 Ų | 113 | 104.5 Ų | 104.5 | 69% | 0.693 | 55% | 0.547 | S | S | * | . | trans | -76.3 | 132.5 | 168.2 | 41.8 | 0 | 0 | 0 | 0 | 107.8 | D4 | T2-D4 PolarHBondContact O-N 3.23Å; T2-D4 VanDerWaalsContact O-N 3.14Å | ||
| 3 | P | 55.1 | Low | 74.6 | Confident | 83 Ų | 83 | 99.6 Ų | 99.6 | 54% | 0.539 | 53% | 0.531 | S | S | . | . | trans | -66.1 | 113.5 | 166.6 | 26.1 | -29 | 0 | 0 | 0 | 107.3 | W5 | P3-W5 PolarHBondContact O-N 3.03Š| ||
| 4 | D | 70 | Confident | 75.6 | Confident | 91 Ų | 91 | 96.8 Ų | 96.8 | 49% | 0.487 | 51% | 0.51 | S | S | . | . | trans | -68.9 | 99.7 | 174.4 | -55.5 | -40.8 | 0 | 0 | 0 | 107.3 | T2 H6 S7 S8 | T2-D4 PolarHBondContact O-N 3.23Å; T2-D4 VanDerWaalsContact O-N 3.14Å; D4-H6 PolarHBondContact O-N 3.2Å; D4-S7 PolarHBondContact O-N 3.36Å; D4-S8 PolarHBondContact O-N 3.39Å | ||
| 5 | W | 73.6 | Confident | 76.5 | Confident | 189 Ų | 189 | 94.7 Ų | 94.7 | 72% | 0.716 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -50.8 | -32 | -177.2 | -63.2 | 106.2 | 0 | 0 | 0 | 112.5 | P3 S8 L9 | P3-W5 PolarHBondContact O-N 3.03Å; W5-S8 PolarHBondContact O-N 3.29Å; W5-L9 WeakPolarHBondContact O-CB 3.36Å; W5-L9 WeakPolarHBondContact O-CD1 3.49Å; W5-L9 WeakPolarHBondContact O-CG 3.4Å; W5-L9 PolarHBondContact O-N 3.15Å |
| 6 | H | 79.1 | Confident | 77.5 | Confident | 147 Ų | 147 | 95 Ų | 95 | 68% | 0.681 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -57.9 | -49.6 | 175.4 | -64.6 | -77.1 | 0 | 0 | 0 | 113.1 | D4 S8 L9 I10 | D4-H6 PolarHBondContact O-N 3.2Å; H6-S8 VanDerWaalsContact C-N 3.31Å; H6-S8 PolarHBondContact O-N 3.43Å; H6-L9 PolarHBondContact O-N 2.91Å; H6-I10 WeakPolarHBondContact O-CD1 3.18Å; H6-I10 VanDerWaalsContact O-CG1 3.25Å; H6-I10 WeakPolarHBondContact O-CG1 3.47Å; H6-I10 PolarHBondContact O-N 3.45Å |
| 7 | S | 78.4 | Confident | 78.3 | Confident | 31 Ų | 31 | 94.2 Ų | 94.2 | 22% | 0.217 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -63.9 | -39.7 | -178.6 | -53.1 | 0 | 0 | 0 | 0 | 111.3 | D4 I10 L11 | D4-S7 PolarHBondContact O-N 3.36Å; S7-I10 PolarHBondContact O-N 3.42Å; S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 PolarHBondContact O-N 3.2Å |
| 8 | S | 82.1 | Confident | 79 | Confident | 59 Ų | 59 | 92.4 Ų | 92.4 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 178 | -59.6 | 0 | 0 | 0 | 0 | 112.1 | D4 W5 H6 T12 | D4-S8 PolarHBondContact O-N 3.39Å; W5-S8 PolarHBondContact O-N 3.29Å; H6-S8 VanDerWaalsContact C-N 3.31Å; H6-S8 PolarHBondContact O-N 3.43Å; S8-T12 WeakPolarHBondContact O-CB 3.35Å; S8-T12 PolarHBondContact O-N 3.16Å; S8-T12 PolarHBondContact O-OG1 3.35Å |
| 9 | L | 87.4 | Confident | 79.7 | Confident | 117 Ų | 117 | 93.4 Ų | 93.4 | 61% | 0.613 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.8 | -45.4 | 175.5 | -72.5 | 165.8 | 0 | 0 | 0 | 111.6 | W5 H6 T12 A13 | W5-L9 WeakPolarHBondContact O-CB 3.36Å; W5-L9 WeakPolarHBondContact O-CD1 3.49Å; W5-L9 WeakPolarHBondContact O-CG 3.4Å; W5-L9 PolarHBondContact O-N 3.15Å; H6-L9 PolarHBondContact O-N 2.91Å; L9-T12 PolarHBondContact O-N 3.47Å; L9-A13 WeakPolarHBondContact O-CB 3.37Å; L9-A13 PolarHBondContact O-N 3.08Å |
| 10 | I | 85.8 | Confident | 80.3 | Confident | 61 Ų | 61 | 93.2 Ų | 93.2 | 31% | 0.313 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.4 | -47.2 | 178.8 | -68.2 | 164.2 | 0 | 0 | 0 | 110.7 | H6 S7 T12 A13 Y14 F73 | H6-I10 WeakPolarHBondContact O-CD1 3.18Å; H6-I10 VanDerWaalsContact O-CG1 3.25Å; H6-I10 WeakPolarHBondContact O-CG1 3.47Å; H6-I10 PolarHBondContact O-N 3.45Å; S7-I10 PolarHBondContact O-N 3.42Å; I10-T12 PolarHBondContact O-N 3.42Å; I10-A13 PolarHBondContact O-N 3.3Å; I10-Y14 HydrophobicContact CG2-CD2 3.88Å; I10-Y14 HydrophobicContact CG2-CE1 4.27Å; I10-Y14 HydrophobicContact CG2-CE2 3.41Å; I10-Y14 VanDerWaalsContact CG2-CE2 3.41Å; I10-Y14 HydrophobicContact CG2-CG 4.48Å; I10-Y14 PolarHBondContact O-N 3.23Å; I10-F73 HydrophobicContact CD1-CZ 4.44Å |
| 11 | L | 86.3 | Confident | 80.7 | Confident | 47 Ų | 47 | 89.3 Ų | 89.3 | 25% | 0.246 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 178.8 | -170.5 | 115.4 | 0 | 0 | 0 | 111.5 | S7 A13 Y14 I15 I66 A69 A70 | S7-L11 WeakPolarHBondContact O-CB 3.46Å; S7-L11 PolarHBondContact O-N 3.2Å; L11-A13 PolarHBondContact O-N 3.34Å; L11-Y14 PolarHBondContact O-N 2.86Å; L11-I15 HydrophobicContact CD2-CD1 3.73Å; L11-I15 HydrophobicContact CG-CD1 4.05Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.44Å; L11-I15 PolarHBondContact O-N 2.81Å; L11-I66 HydrophobicContact CD1-CG2 4.12Å; L11-I66 HydrophobicContact CG-CG2 4.45Å; L11-A69 HydrophobicContact CD1-CB 4.12Å; L11-A70 HydrophobicContact CD1-CB 3.83Å |
| 12 | T | 88 | Confident | 82.9 | Confident | 74 Ų | 74 | 80 Ų | 80 | 45% | 0.454 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 177.8 | -54.6 | 0 | 0 | 0 | 0 | 111 | S8 L9 I10 Y14 I15 L16 | S8-T12 WeakPolarHBondContact O-CB 3.35Å; S8-T12 PolarHBondContact O-N 3.16Å; S8-T12 PolarHBondContact O-OG1 3.35Å; L9-T12 PolarHBondContact O-N 3.47Å; I10-T12 PolarHBondContact O-N 3.42Å; T12-Y14 PolarHBondContact O-N 3.19Å; T12-I15 PolarHBondContact O-N 3.38Å; T12-L16 HydrophobicContact CG2-CD1 4.1Å; T12-L16 HydrophobicContact CG2-CG 4.48Å; T12-L16 WeakPolarHBondContact O-CB 3.43Å; T12-L16 WeakPolarHBondContact O-CG 3.46Å; T12-L16 PolarHBondContact O-N 3.2Å |
| 13 | A | 89.3 | Confident | 84.8 | Confident | 41 Ų | 41 | 77.6 Ų | 77.6 | 34% | 0.339 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -60.5 | -46.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | L9 I10 L11 I15 L16 I17 | L9-A13 WeakPolarHBondContact O-CB 3.37Å; L9-A13 PolarHBondContact O-N 3.08Å; I10-A13 PolarHBondContact O-N 3.3Å; L11-A13 PolarHBondContact O-N 3.34Å; A13-I15 PolarHBondContact O-N 3.05Å; A13-L16 PolarHBondContact O-N 2.98Å; A13-I17 WeakPolarHBondContact O-CB 3.39Å; A13-I17 WeakPolarHBondContact O-CD1 3.22Å; A13-I17 WeakPolarHBondContact O-CG1 3.39Å; A13-I17 PolarHBondContact O-N 2.86Å |
| 14 | Y | 88.9 | Confident | 86.5 | Confident | 60 Ų | 60 | 76.3 Ų | 76.3 | 24% | 0.235 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.8 | -43.2 | 177.4 | -69.7 | -15.6 | 0 | 0 | 0 | 112.6 | I10 L11 T12 L16 I17 F18 L62 R65 I66 | I10-Y14 HydrophobicContact CG2-CD2 3.88Å; I10-Y14 HydrophobicContact CG2-CE1 4.27Å; I10-Y14 HydrophobicContact CG2-CE2 3.41Å; I10-Y14 VanDerWaalsContact CG2-CE2 3.41Å; I10-Y14 HydrophobicContact CG2-CG 4.48Å; I10-Y14 PolarHBondContact O-N 3.23Å; L11-Y14 PolarHBondContact O-N 2.86Å; T12-Y14 PolarHBondContact O-N 3.19Å; Y14-L16 PolarHBondContact O-N 3.28Å; Y14-I17 PolarHBondContact O-N 3.08Å; Y14-F18 WeakPolarHBondContact O-CB 3.42Å; Y14-F18 PolarHBondContact O-N 3.46Å; Y14-L62 HydrophobicContact CD1-CD2 4.42Å; Y14-L62 HydrophobicContact CG-CD2 4.34Å; Y14-L62 WeakPolarHBondContact O-CD2 3.41Å; Y14-R65 HydrophobicContact CD2-CB 4.28Å; Y14-R65 HydrophobicContact CE2-CB 4.03Å; Y14-I66 HydrophobicContact CD2-CG1 4.27Å; Y14-I66 HydrophobicContact CG-CG1 4.39Å |
| 15 | I | 88.8 | Confident | 87.5 | Confident | 66 Ų | 66 | 73.4 Ų | 73.4 | 34% | 0.338 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -62.2 | -44.7 | 176.8 | -68 | 165.8 | 0 | 0 | 0 | 110.8 | L11 T12 A13 F18 L19 I66 | L11-I15 HydrophobicContact CD2-CD1 3.73Å; L11-I15 HydrophobicContact CG-CD1 4.05Å; L11-I15 VanDerWaalsContact O-CG1 3.3Å; L11-I15 WeakPolarHBondContact O-CG1 3.44Å; L11-I15 PolarHBondContact O-N 2.81Å; T12-I15 PolarHBondContact O-N 3.38Å; A13-I15 PolarHBondContact O-N 3.05Å; I15-F18 PolarHBondContact O-N 2.99Å; I15-L19 HydrophobicContact CG2-CD1 3.79Å; I15-L19 HydrophobicContact CG2-CG 4.33Å; I15-L19 WeakPolarHBondContact O-CB 3.33Å; I15-L19 WeakPolarHBondContact O-CG 3.23Å; I15-L19 PolarHBondContact O-N 2.52Å; I15-I66 HydrophobicContact CG1-CD1 3.94Å; I15-I66 HydrophobicContact CG1-CG1 4.49Å; I15-I66 HydrophobicContact CG1-CG2 4.24Å |
| 16 | L | 92.1 | Very high | 88.2 | Confident | 99 Ų | 99 | 68.1 Ų | 68.1 | 52% | 0.518 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 177.8 | -71.8 | 175 | 0 | 0 | 0 | 112 | T12 A13 Y14 F18 L19 T20 | T12-L16 HydrophobicContact CG2-CD1 4.1Å; T12-L16 HydrophobicContact CG2-CG 4.48Å; T12-L16 WeakPolarHBondContact O-CB 3.43Å; T12-L16 WeakPolarHBondContact O-CG 3.46Å; T12-L16 PolarHBondContact O-N 3.2Å; A13-L16 PolarHBondContact O-N 2.98Å; Y14-L16 PolarHBondContact O-N 3.28Å; L16-F18 VanDerWaalsContact C-N 3.3Å; L16-F18 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.5Å; L16-T20 WeakPolarHBondContact O-CB 3.43Å; L16-T20 WeakPolarHBondContact O-CG2 3.33Å; L16-T20 PolarHBondContact O-N 3.46Å; L16-T20 PolarHBondContact O-OG1 3.26Å |
| 17 | I | 91.4 | Very high | 88.8 | Confident | 82 Ų | 82 | 67 Ų | 67 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -41.3 | 176.6 | -69.5 | 162.9 | 0 | 0 | 0 | 110.4 | A13 Y14 G21 L59 L62 | A13-I17 WeakPolarHBondContact O-CB 3.39Å; A13-I17 WeakPolarHBondContact O-CD1 3.22Å; A13-I17 WeakPolarHBondContact O-CG1 3.39Å; A13-I17 PolarHBondContact O-N 2.86Å; Y14-I17 PolarHBondContact O-N 3.08Å; I17-G21 WeakPolarHBondContact O-CA 3.45Å; I17-G21 PolarHBondContact O-N 2.95Å; I17-L59 HydrophobicContact CG2-CD2 4.05Å; I17-L59 WeakPolarHBondContact O-CD2 3.26Å; I17-L62 HydrophobicContact CB-CD2 4.22Å; I17-L62 HydrophobicContact CG2-CD1 4.42Å; I17-L62 HydrophobicContact CG2-CD2 4.12Å |
| 18 | F | 90.7 | Very high | 89.2 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 27% | 0.272 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.6 | -53.4 | 176.2 | -176 | -96.6 | 0 | 0 | 0 | 111.5 | Y14 I15 L16 T20 L22 L59 L62 P63 | Y14-F18 WeakPolarHBondContact O-CB 3.42Å; Y14-F18 PolarHBondContact O-N 3.46Å; I15-F18 PolarHBondContact O-N 2.99Å; L16-F18 VanDerWaalsContact C-N 3.3Å; L16-F18 PolarHBondContact O-N 2.98Å; F18-T20 VanDerWaalsContact C-N 3.31Å; F18-T20 PolarHBondContact O-N 3.18Å; F18-L22 HydrophobicContact CD1-CD1 4.34Å; F18-L22 HydrophobicContact CD2-CD1 3.76Å; F18-L22 HydrophobicContact CE1-CD1 3.83Å; F18-L22 HydrophobicContact CE2-CD1 3.18Å; F18-L22 HydrophobicContact CG-CD1 4.31Å; F18-L22 HydrophobicContact CZ-CD1 3.21Å; F18-L22 WeakPolarHBondContact O-CB 3.49Å; F18-L22 PolarHBondContact O-N 3.4Å; F18-L59 VanDerWaalsContact CD2-O 3.3Å; F18-L59 WeakPolarHBondContact CD2-O 3.2Å; F18-L59 VanDerWaalsContact CE2-O 3.31Å; F18-L59 WeakPolarHBondContact CE2-O 3.32Å; F18-L62 HydrophobicContact CB-CD2 4.03Å; F18-L62 HydrophobicContact CD2-CB 4.36Å; F18-P63 HydrophobicContact CE2-CG 4.18Å |
| 19 | L | 91.4 | Very high | 89.5 | Confident | 110 Ų | 110 | 65 Ų | 65 | 58% | 0.576 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -62.8 | -34.8 | -176.6 | -74.6 | 174.2 | 0 | 0 | 0 | 113.5 | I15 L16 P23 | I15-L19 HydrophobicContact CG2-CD1 3.79Å; I15-L19 HydrophobicContact CG2-CG 4.33Å; I15-L19 WeakPolarHBondContact O-CB 3.33Å; I15-L19 WeakPolarHBondContact O-CG 3.23Å; I15-L19 PolarHBondContact O-N 2.52Å; L16-L19 PolarHBondContact O-N 3.5Å; L19-P23 WeakPolarHBondContact O-CD 3.11Å; L19-P23 WeakPolarHBondContact O-CG 3.4Å |
| 20 | T | 91.8 | Very high | 89.4 | Confident | 90 Ų | 90 | 68.7 Ų | 68.7 | 55% | 0.552 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -89.5 | -40.6 | 179.5 | 58.2 | 0 | 0 | 0 | 0 | 112 | L16 F18 P23 A24 | L16-T20 WeakPolarHBondContact O-CB 3.43Å; L16-T20 WeakPolarHBondContact O-CG2 3.33Å; L16-T20 PolarHBondContact O-N 3.46Å; L16-T20 PolarHBondContact O-OG1 3.26Å; F18-T20 VanDerWaalsContact C-N 3.31Å; F18-T20 PolarHBondContact O-N 3.18Å; T20-P23 WeakPolarHBondContact O-CD 3.49Å; T20-P23 WeakPolarHBondContact O-CG 3.4Å; T20-A24 VanDerWaalsContact O-CB 3.23Å; T20-A24 WeakPolarHBondContact O-CB 3.3Å; T20-A24 PolarHBondContact O-N 2.92Å |
| 21 | G | 88.9 | Confident | 89.4 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 12% | 0.124 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -71.5 | -39.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I17 N25 L59 | I17-G21 WeakPolarHBondContact O-CA 3.45Å; I17-G21 PolarHBondContact O-N 2.95Å; G21-N25 VanDerWaalsContact O-CB 3.28Å; G21-N25 WeakPolarHBondContact O-CB 3.39Å; G21-N25 PolarHBondContact O-N 3.24Å; G21-N25 PolarHBondContact O-ND2 2.86Å; G21-L59 WeakPolarHBondContact O-CD1 3.33Å |
| 22 | L | 90.5 | Very high | 89.1 | Confident | 46 Ų | 46 | 68.5 Ų | 68.5 | 24% | 0.241 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -63.1 | -53.5 | 179.8 | -126.2 | 153.8 | 0 | 0 | 0 | 112.9 | F18 A24 L26 L56 L59 | F18-L22 HydrophobicContact CD1-CD1 4.34Å; F18-L22 HydrophobicContact CD2-CD1 3.76Å; F18-L22 HydrophobicContact CE1-CD1 3.83Å; F18-L22 HydrophobicContact CE2-CD1 3.18Å; F18-L22 HydrophobicContact CG-CD1 4.31Å; F18-L22 HydrophobicContact CZ-CD1 3.21Å; F18-L22 WeakPolarHBondContact O-CB 3.49Å; F18-L22 PolarHBondContact O-N 3.4Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-A24 PolarHBondContact O-N 2.85Å; L22-L26 WeakPolarHBondContact O-CB 3.27Å; L22-L26 PolarHBondContact O-N 2.82Å; L22-L56 HydrophobicContact CD2-CD2 4.4Å; L22-L59 HydrophobicContact CG-CB 4.44Å |
| 23 | P | 90.8 | Very high | 88.5 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 41% | 0.409 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 177.4 | 24 | -32 | 0 | 0 | 0 | 111.6 | L19 T20 L26 L27 | L19-P23 WeakPolarHBondContact O-CD 3.11Å; L19-P23 WeakPolarHBondContact O-CG 3.4Å; T20-P23 WeakPolarHBondContact O-CD 3.49Å; T20-P23 WeakPolarHBondContact O-CG 3.4Å; P23-L26 PolarHBondContact O-N 3.42Å; P23-L27 WeakPolarHBondContact O-CB 3.14Å; P23-L27 WeakPolarHBondContact O-CG 3.28Å; P23-L27 PolarHBondContact O-N 2.93Å |
| 24 | A | 90.8 | Very high | 87.7 | Confident | 56 Ų | 56 | 69.5 Ų | 69.5 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.2 | -49.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | T20 L22 L27 A28 | T20-A24 VanDerWaalsContact O-CB 3.23Å; T20-A24 WeakPolarHBondContact O-CB 3.3Å; T20-A24 PolarHBondContact O-N 2.92Å; L22-A24 VanDerWaalsContact C-N 3.34Å; L22-A24 PolarHBondContact O-N 2.85Å; A24-L27 PolarHBondContact O-N 3.47Å; A24-A28 WeakPolarHBondContact O-CB 3.44Å; A24-A28 PolarHBondContact O-N 3.3Å |
| 25 | N | 91.1 | Very high | 86.8 | Confident | 29 Ų | 29 | 74.2 Ų | 74.2 | 16% | 0.155 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -69.7 | -33.3 | 179.7 | -77.7 | -70.6 | 0 | 0 | 0 | 112.6 | G21 A28 L29 L56 L59 | G21-N25 VanDerWaalsContact O-CB 3.28Å; G21-N25 WeakPolarHBondContact O-CB 3.39Å; G21-N25 PolarHBondContact O-N 3.24Å; G21-N25 PolarHBondContact O-ND2 2.86Å; N25-A28 PolarHBondContact O-N 3.43Å; N25-L29 WeakPolarHBondContact O-CB 3.17Å; N25-L29 PolarHBondContact O-N 2.84Å; N25-L56 HydrophobicContact CB-CD2 3.87Å; N25-L56 HydrophobicContact CB-CG 4Å; N25-L59 HydrophobicContact CB-CD1 4.3Å |
| 26 | L | 89.6 | Confident | 85.6 | Confident | 79 Ų | 79 | 73.4 Ų | 73.4 | 41% | 0.414 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -67.9 | -41.6 | 175.5 | -172 | 64.5 | 0 | 0 | 0 | 111.8 | L22 P23 L29 R30 | L22-L26 WeakPolarHBondContact O-CB 3.27Å; L22-L26 PolarHBondContact O-N 2.82Å; P23-L26 PolarHBondContact O-N 3.42Å; L26-L29 PolarHBondContact O-N 3.28Å; L26-R30 WeakPolarHBondContact O-CG 3.22Å; L26-R30 PolarHBondContact O-N 2.86Å |
| 27 | L | 89.9 | Confident | 84.2 | Confident | 124 Ų | 124 | 79 Ų | 79 | 65% | 0.649 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 173.3 | -72.2 | 169.5 | 0 | 0 | 0 | 111 | P23 A24 R30 A31 | P23-L27 WeakPolarHBondContact O-CB 3.14Å; P23-L27 WeakPolarHBondContact O-CG 3.28Å; P23-L27 PolarHBondContact O-N 2.93Å; A24-L27 PolarHBondContact O-N 3.47Å; L27-R30 PolarHBondContact O-N 3.22Å; L27-A31 WeakPolarHBondContact O-CB 3.49Å; L27-A31 PolarHBondContact O-N 2.84Å |
| 28 | A | 87.6 | Confident | 83 | Confident | 26 Ų | 26 | 80.9 Ų | 80.9 | 22% | 0.215 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A24 N25 R30 A31 F32 T52 | A24-A28 WeakPolarHBondContact O-CB 3.44Å; A24-A28 PolarHBondContact O-N 3.3Å; N25-A28 PolarHBondContact O-N 3.43Å; A28-R30 PolarHBondContact O-N 3.44Å; A28-A31 PolarHBondContact O-N 3.27Å; A28-F32 HydrophobicContact CB-CD2 4.34Å; A28-F32 HydrophobicContact CB-CE2 3.89Å; A28-F32 WeakPolarHBondContact O-CB 3.35Å; A28-F32 WeakPolarHBondContact O-CD2 3.4Å; A28-F32 VanDerWaalsContact O-CG 3.28Å; A28-F32 WeakPolarHBondContact O-CG 3.4Å; A28-F32 PolarHBondContact O-N 2.78Å; A28-T52 HydrophobicContact CB-CG2 3.85Å |
| 29 | L | 87.7 | Confident | 81.1 | Confident | 22 Ų | 22 | 83.6 Ų | 83.6 | 12% | 0.115 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -58.4 | -46.5 | 175.7 | -178.8 | 68.8 | 0 | 0 | 0 | 111.2 | N25 L26 A31 F32 M33 L49 L53 L56 | N25-L29 WeakPolarHBondContact O-CB 3.17Å; N25-L29 PolarHBondContact O-N 2.84Å; L26-L29 PolarHBondContact O-N 3.28Å; L29-A31 PolarHBondContact O-N 3.36Å; L29-F32 PolarHBondContact O-N 3.29Å; L29-M33 HydrophobicContact CD1-CE 4.45Å; L29-M33 HydrophobicContact CG-CE 4.27Å; L29-M33 WeakPolarHBondContact O-CB 3.32Å; L29-M33 PolarHBondContact O-N 3.29Å; L29-L49 HydrophobicContact CD1-CD1 4.4Å; L29-L49 HydrophobicContact CD1-CG 4.25Å; L29-L53 HydrophobicContact CD1-CD2 3.99Å; L29-L53 HydrophobicContact CD1-CG 4.23Å; L29-L53 HydrophobicContact CD2-CD2 4.38Å; L29-L56 HydrophobicContact CB-CD1 4.4Å; L29-L56 HydrophobicContact CD2-CD1 3.73Å |
| 30 | R | 86.8 | Confident | 79.5 | Confident | 193 Ų | 193 | 86.5 Ų | 86.5 | 73% | 0.728 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 176.9 | -70.2 | -132.6 | -175.9 | -154.8 | 2.3 | 111.9 | L26 L27 A28 G34 | L26-R30 WeakPolarHBondContact O-CG 3.22Å; L26-R30 PolarHBondContact O-N 2.86Å; L27-R30 PolarHBondContact O-N 3.22Å; A28-R30 PolarHBondContact O-N 3.44Å; R30-G34 PolarHBondContact O-N 3.4Å |
| 31 | A | 84.7 | Confident | 78 | Confident | 58 Ų | 58 | 84 Ų | 84 | 48% | 0.479 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L27 A28 L29 G34 R35 | L27-A31 WeakPolarHBondContact O-CB 3.49Å; L27-A31 PolarHBondContact O-N 2.84Å; A28-A31 PolarHBondContact O-N 3.27Å; L29-A31 PolarHBondContact O-N 3.36Å; A31-G34 PolarHBondContact O-N 3.3Å; A31-R35 WeakPolarHBondContact O-CG 3.44Å; A31-R35 PolarHBondContact O-N 3.01Å |
| 32 | F | 80.8 | Confident | 77 | Confident | 46 Ų | 46 | 84.9 Ų | 84.9 | 20% | 0.202 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -70.9 | -35.4 | 179.8 | -61.5 | -37.2 | 0 | 0 | 0 | 112.8 | A28 L29 G34 R35 V36 L48 T52 | A28-F32 HydrophobicContact CB-CD2 4.34Å; A28-F32 HydrophobicContact CB-CE2 3.89Å; A28-F32 WeakPolarHBondContact O-CB 3.35Å; A28-F32 WeakPolarHBondContact O-CD2 3.4Å; A28-F32 VanDerWaalsContact O-CG 3.28Å; A28-F32 WeakPolarHBondContact O-CG 3.4Å; A28-F32 PolarHBondContact O-N 2.78Å; L29-F32 PolarHBondContact O-N 3.29Å; F32-G34 VanDerWaalsContact C-N 3.27Å; F32-G34 PolarHBondContact O-N 3.48Å; F32-R35 CarbonylContact O-C 3.58Å; F32-R35 PolarHBondContact O-N 2.93Å; F32-V36 WeakPolarHBondContact O-CB 3.31Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.34Å; F32-L48 HydrophobicContact CD2-CB 4.09Å; F32-L48 HydrophobicContact CE1-CD2 4.08Å; F32-L48 HydrophobicContact CE2-CB 3.94Å; F32-L48 HydrophobicContact CE2-CD2 3.68Å; F32-L48 HydrophobicContact CE2-CG 4.45Å; F32-L48 HydrophobicContact CG-CB 4.49Å; F32-L48 HydrophobicContact CZ-CB 4.22Å; F32-L48 HydrophobicContact CZ-CD2 3.38Å; F32-L48 HydrophobicContact CZ-CG 4.36Å; F32-T52 HydrophobicContact CD2-CG2 3.82Å; F32-T52 HydrophobicContact CE2-CG2 3.73Å |
| 33 | M | 75.9 | Confident | 75.9 | Confident | 92 Ų | 92 | 83.6 Ų | 83.6 | 45% | 0.453 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.4 | -37.5 | 174 | -169.5 | -179.5 | -64.6 | 0 | 0 | 111.7 | L29 R35 R37 | L29-M33 HydrophobicContact CD1-CE 4.45Å; L29-M33 HydrophobicContact CG-CE 4.27Å; L29-M33 WeakPolarHBondContact O-CB 3.32Å; L29-M33 PolarHBondContact O-N 3.29Å; M33-R35 VanDerWaalsContact C-N 3.34Å; M33-R37 PolarHBondContact O-N 2.87Å |
| 34 | G | 72.4 | Confident | 74.9 | Confident | 45 Ų | 45 | 82 Ų | 82 | 46% | 0.464 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.6 | -33.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | R30 A31 F32 | R30-G34 PolarHBondContact O-N 3.4Å; A31-G34 PolarHBondContact O-N 3.3Å; F32-G34 VanDerWaalsContact C-N 3.27Å; F32-G34 PolarHBondContact O-N 3.48Å |
| 35 | R | 68.4 | Low | 74.2 | Confident | 159 Ų | 159 | 81.7 Ų | 81.7 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -81.1 | -31.1 | 178.7 | -64.9 | -66.3 | -172.2 | 125.3 | 0.2 | 113.5 | A31 F32 M33 R37 Q38 | A31-R35 WeakPolarHBondContact O-CG 3.44Å; A31-R35 PolarHBondContact O-N 3.01Å; F32-R35 CarbonylContact O-C 3.58Å; F32-R35 PolarHBondContact O-N 2.93Å; M33-R35 VanDerWaalsContact C-N 3.34Å; R35-R37 VanDerWaalsContact C-N 3.32Å; R35-Q38 WeakPolarHBondContact O-CB 3.16Å; R35-Q38 WeakPolarHBondContact O-CG 3.42Å; R35-Q38 PolarHBondContact O-N 3.24Å |
| 36 | V | 64.8 | Low | 73.4 | Confident | 49 Ų | 49 | 83.5 Ų | 83.5 | 30% | 0.297 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -70 | -28.4 | 176.4 | 160.2 | 0 | 0 | 0 | 0 | 112.2 | F32 Q38 H45 L49 | F32-V36 WeakPolarHBondContact O-CB 3.31Å; F32-V36 WeakPolarHBondContact O-CG2 3.47Å; F32-V36 PolarHBondContact O-N 3.34Å; V36-Q38 PolarHBondContact O-N 2.99Å; V36-H45 HydrophobicContact CG2-CB 4.04Å; V36-L49 HydrophobicContact CG2-CD1 4.22Å |
| 37 | R | 62.8 | Low | 72.6 | Confident | 215 Ų | 215 | 79.8 Ų | 79.8 | 81% | 0.811 | 41% | 0.407 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -6.2 | 174.3 | -95.9 | -179 | 173.5 | 142.6 | -1.5 | 114.7 | M33 R35 | M33-R37 PolarHBondContact O-N 2.87Å; R35-R37 VanDerWaalsContact C-N 3.32Å |
| 38 | Q | 66.2 | Low | 72.1 | Confident | 122 Ų | 122 | 75.7 Ų | 75.7 | 57% | 0.57 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -71.3 | 148.7 | 174.7 | -70.5 | -78.3 | -22.4 | 0 | 0 | 110.6 | R35 V36 Q40 P41 | R35-Q38 WeakPolarHBondContact O-CB 3.16Å; R35-Q38 WeakPolarHBondContact O-CG 3.42Å; R35-Q38 PolarHBondContact O-N 3.24Å; V36-Q38 PolarHBondContact O-N 2.99Å; Q38-Q40 PolarHBondContact O-N 2.99Å; Q38-P41 WeakPolarHBondContact O-CD 3.09Å |
| 39 | P | 50.7 | Low | 71.7 | Confident | 120 Ų | 120 | 76.1 Ų | 76.1 | 78% | 0.779 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -62 | -17.5 | -173.6 | -22.4 | 32.4 | 0 | 0 | 0 | 115.5 | ||
| 40 | Q | 57.1 | Low | 71.4 | Confident | 171 Ų | 171 | 78 Ų | 78 | 80% | 0.799 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -135.2 | 71.3 | 179.7 | -64 | -171.6 | -1.6 | 0 | 0 | 111.3 | Q38 A42 | Q38-Q40 PolarHBondContact O-N 2.99Å; Q40-A42 PolarHBondContact O-N 3.5Å |
| 41 | P | 61 | Low | 71.2 | Confident | 37 Ų | 37 | 69.6 Ų | 69.6 | 24% | 0.24 | 36% | 0.363 | C | S | . | . | trans | -64.9 | 130.3 | 178.9 | 27.1 | -29.4 | 0 | 0 | 0 | 109.4 | Q38 R121 | Q38-P41 WeakPolarHBondContact O-CD 3.09Å; P41-R121 PolarHBondContact O-NH1 3.41Å | ||
| 42 | A | 67.3 | Low | 71.3 | Confident | 31 Ų | 31 | 67.1 Ų | 67.1 | 26% | 0.256 | 34% | 0.342 | S | S | . | . | trans | -63.9 | 141.1 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | Q40 V44 H45 | Q40-A42 PolarHBondContact O-N 3.5Å; A42-V44 HydrophobicContact CB-CG1 3.78Å; A42-V44 PolarHBondContact O-N 3.01Å; A42-V44 VanDerWaalsContact O-N 3.08Å; A42-H45 WeakPolarHBondContact O-CB 3.46Å; A42-H45 PolarHBondContact O-N 3.23Å | ||
| 43 | P | 67.4 | Low | 71.3 | Confident | 19 Ų | 19 | 68.8 Ų | 68.8 | 12% | 0.123 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -53 | -34.7 | -178.5 | -26.1 | 33.5 | 0 | 0 | 0 | 112.8 | H45 I46 L47 E106 R121 Y125 | P43-H45 VanDerWaalsContact C-N 3.26Å; P43-H45 PolarHBondContact O-N 3.34Å; P43-I46 PolarHBondContact O-N 3Å; P43-L47 PolarHBondContact O-N 3.24Å; P43-E106 WeakPolarHBondContact CB-OE2 3.45Å; P43-R121 HydrophobicContact CG-CG 4.13Å; P43-Y125 PolarHBondContact O-OH 3.08Å |
| 44 | V | 69.8 | Low | 71.7 | Confident | 29 Ų | 29 | 65 Ų | 65 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.4 | -35.4 | 174.6 | 72.6 | 0 | 0 | 0 | 0 | 112.8 | A42 L47 L48 I103 | A42-V44 HydrophobicContact CB-CG1 3.78Å; A42-V44 PolarHBondContact O-N 3.01Å; A42-V44 VanDerWaalsContact O-N 3.08Å; V44-L47 WeakPolarHBondContact O-CB 3.25Å; V44-L47 PolarHBondContact O-N 2.88Å; V44-L48 HydrophobicContact CB-CD1 4.48Å; V44-L48 HydrophobicContact CG2-CD1 3.57Å; V44-L48 WeakPolarHBondContact O-CB 3.48Å; V44-L48 WeakPolarHBondContact O-CD1 3.47Å; V44-L48 PolarHBondContact O-N 3.42Å; V44-I103 HydrophobicContact CG2-CG2 4.26Å |
| 45 | H | 75.4 | Confident | 72.4 | Confident | 50 Ų | 50 | 64.6 Ų | 64.6 | 23% | 0.231 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -70 | -36.2 | 179.5 | -68.5 | -53.3 | 0 | 0 | 0 | 113.2 | V36 A42 P43 L49 | V36-H45 HydrophobicContact CG2-CB 4.04Å; A42-H45 WeakPolarHBondContact O-CB 3.46Å; A42-H45 PolarHBondContact O-N 3.23Å; P43-H45 VanDerWaalsContact C-N 3.26Å; P43-H45 PolarHBondContact O-N 3.34Å; H45-L49 WeakPolarHBondContact O-CB 3.19Å; H45-L49 PolarHBondContact O-N 3.45Å |
| 46 | I | 74.3 | Confident | 73.3 | Confident | 66 Ų | 66 | 58.1 Ų | 58.1 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.9 | -38.1 | 173.9 | -59.8 | 172.3 | 0 | 0 | 0 | 109.2 | P43 L49 N50 Y125 | P43-I46 PolarHBondContact O-N 3Å; I46-L49 PolarHBondContact O-N 3.25Å; I46-N50 PolarHBondContact O-N 3.18Å; I46-N50 PolarHBondContact O-ND2 2.91Å; I46-Y125 HydrophobicContact CB-CE2 4.29Å; I46-Y125 HydrophobicContact CG2-CD2 4.08Å; I46-Y125 HydrophobicContact CG2-CE2 4.24Å |
| 47 | L | 74.4 | Confident | 74.2 | Confident | 2 Ų | 2 | 60.2 Ų | 60.2 | 1% | 0.01 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.1 | -45.2 | -179.6 | -150.2 | 47.3 | 0 | 0 | 0 | 113.2 | P43 V44 L49 N50 L51 L99 G102 I103 E106 Y125 | P43-L47 PolarHBondContact O-N 3.24Å; V44-L47 WeakPolarHBondContact O-CB 3.25Å; V44-L47 PolarHBondContact O-N 2.88Å; L47-L49 VanDerWaalsContact C-N 3.3Å; L47-L49 PolarHBondContact O-N 2.86Å; L47-N50 PolarHBondContact O-N 2.87Å; L47-L51 WeakPolarHBondContact O-CB 3.34Å; L47-L51 PolarHBondContact O-N 3.44Å; L47-L99 HydrophobicContact CD1-CD2 3.64Å; L47-G102 VanDerWaalsContact CD2-C 3.5Å; L47-I103 HydrophobicContact CB-CG1 4.04Å; L47-I103 HydrophobicContact CD2-CB 4.42Å; L47-I103 HydrophobicContact CD2-CG1 3.69Å; L47-I103 HydrophobicContact CG-CD1 4.48Å; L47-I103 HydrophobicContact CG-CG1 3.71Å; L47-E106 HydrophobicContact CD2-CG 4.14Å; L47-Y125 HydrophobicContact CB-CE1 4.16Å; L47-Y125 HydrophobicContact CD1-CD1 3.24Å; L47-Y125 HydrophobicContact CD1-CE1 2.89Å; L47-Y125 HydrophobicContact CD1-CG 4.29Å; L47-Y125 HydrophobicContact CD2-CE1 3.64Å; L47-Y125 WeakPolarHBondContact CD2-OH 3.3Å; L47-Y125 HydrophobicContact CG-CD1 4.45Å; L47-Y125 HydrophobicContact CG-CE1 3.7Å |
| 48 | L | 78.4 | Confident | 75.2 | Confident | 38 Ų | 38 | 51.4 Ų | 51.4 | 20% | 0.199 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -62.3 | -37 | 171.1 | -87.3 | 122.3 | 0 | 0 | 0 | 112.1 | F32 V44 L51 T52 I103 | F32-L48 HydrophobicContact CD2-CB 4.09Å; F32-L48 HydrophobicContact CE1-CD2 4.08Å; F32-L48 HydrophobicContact CE2-CB 3.94Å; F32-L48 HydrophobicContact CE2-CD2 3.68Å; F32-L48 HydrophobicContact CE2-CG 4.45Å; F32-L48 HydrophobicContact CG-CB 4.49Å; F32-L48 HydrophobicContact CZ-CB 4.22Å; F32-L48 HydrophobicContact CZ-CD2 3.38Å; F32-L48 HydrophobicContact CZ-CG 4.36Å; V44-L48 HydrophobicContact CB-CD1 4.48Å; V44-L48 HydrophobicContact CG2-CD1 3.57Å; V44-L48 WeakPolarHBondContact O-CB 3.48Å; V44-L48 WeakPolarHBondContact O-CD1 3.47Å; V44-L48 PolarHBondContact O-N 3.42Å; L48-L51 PolarHBondContact O-N 3.43Å; L48-T52 WeakPolarHBondContact O-CG2 3.25Å; L48-T52 PolarHBondContact O-N 3.44Å; L48-T52 PolarHBondContact O-OG1 3.4Å; L48-I103 HydrophobicContact CG-CD1 4.05Å |
| 49 | L | 80.1 | Confident | 76.2 | Confident | 34 Ų | 34 | 45.9 Ų | 45.9 | 18% | 0.178 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.5 | -46.1 | 177.1 | -171.3 | 134.1 | 0 | 0 | 0 | 111.5 | L29 V36 H45 I46 L47 L51 T52 L53 | L29-L49 HydrophobicContact CD1-CD1 4.4Å; L29-L49 HydrophobicContact CD1-CG 4.25Å; V36-L49 HydrophobicContact CG2-CD1 4.22Å; H45-L49 WeakPolarHBondContact O-CB 3.19Å; H45-L49 PolarHBondContact O-N 3.45Å; I46-L49 PolarHBondContact O-N 3.25Å; L47-L49 VanDerWaalsContact C-N 3.3Å; L47-L49 PolarHBondContact O-N 2.86Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 3.23Å; L49-T52 PolarHBondContact O-N 2.86Å; L49-T52 PolarHBondContact O-OG1 3.35Å; L49-L53 HydrophobicContact CD2-CD1 3.74Å; L49-L53 HydrophobicContact CD2-CG 4.49Å; L49-L53 WeakPolarHBondContact O-CG 3.36Å; L49-L53 PolarHBondContact O-N 2.89Å |
| 50 | N | 81.1 | Confident | 77.9 | Confident | 62 Ų | 62 | 45.2 Ų | 45.2 | 33% | 0.332 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.2 | -38.8 | 173.8 | -77.6 | -34.4 | 0 | 0 | 0 | 112.3 | I46 L47 L53 A54 L99 | I46-N50 PolarHBondContact O-N 3.18Å; I46-N50 PolarHBondContact O-ND2 2.91Å; L47-N50 PolarHBondContact O-N 2.87Å; N50-L53 PolarHBondContact O-N 2.83Å; N50-A54 PolarHBondContact O-N 2.87Å; N50-L99 HydrophobicContact CB-CD1 4.22Å; N50-L99 HydrophobicContact CB-CD2 4.03Å |
| 51 | L | 81.7 | Confident | 79.2 | Confident | 17 Ų | 17 | 38.1 Ų | 38.1 | 9% | 0.089 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -62 | -49.9 | 175.7 | -179 | 66.8 | 0 | 0 | 0 | 111.1 | L47 L48 L49 L53 A54 D55 S96 L99 L100 I103 | L47-L51 WeakPolarHBondContact O-CB 3.34Å; L47-L51 PolarHBondContact O-N 3.44Å; L48-L51 PolarHBondContact O-N 3.43Å; L49-L51 VanDerWaalsContact C-N 3.29Å; L49-L51 PolarHBondContact O-N 3.23Å; L51-L53 VanDerWaalsContact C-N 3.26Å; L51-L53 PolarHBondContact O-N 3.25Å; L51-A54 PolarHBondContact O-N 2.78Å; L51-A54 VanDerWaalsContact O-N 3.13Å; L51-D55 PolarHBondContact O-N 3.03Å; L51-S96 VanDerWaalsContact CD1-CA 3.49Å; L51-L99 HydrophobicContact CB-CB 4.27Å; L51-L99 HydrophobicContact CB-CD1 4.17Å; L51-L99 HydrophobicContact CD1-CB 3.97Å; L51-L99 HydrophobicContact CD1-CD1 4.29Å; L51-L100 HydrophobicContact CD1-CG 4.22Å; L51-L100 HydrophobicContact CD2-CD2 3.75Å; L51-L100 HydrophobicContact CD2-CG 4.14Å; L51-I103 HydrophobicContact CD2-CD1 3.8Å |
| 52 | T | 86.2 | Confident | 80.4 | Confident | 6 Ų | 6 | 36.5 Ų | 36.5 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -62.4 | -32.5 | 178.4 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | A28 F32 L48 L49 L56 | A28-T52 HydrophobicContact CB-CG2 3.85Å; F32-T52 HydrophobicContact CD2-CG2 3.82Å; F32-T52 HydrophobicContact CE2-CG2 3.73Å; L48-T52 WeakPolarHBondContact O-CG2 3.25Å; L48-T52 PolarHBondContact O-N 3.44Å; L48-T52 PolarHBondContact O-OG1 3.4Å; L49-T52 PolarHBondContact O-N 2.86Å; L49-T52 PolarHBondContact O-OG1 3.35Å; T52-L56 WeakPolarHBondContact O-CB 3.28Å; T52-L56 VanDerWaalsContact O-CG 3.26Å; T52-L56 WeakPolarHBondContact O-CG 3.41Å; T52-L56 PolarHBondContact O-N 3.14Å |
| 53 | L | 82.3 | Confident | 81.1 | Confident | 81 Ų | 81 | 37.1 Ų | 37.1 | 42% | 0.424 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -70.1 | -41.3 | 174.9 | -72.6 | 172.7 | 0 | 0 | 0 | 111.8 | L29 L49 N50 L51 L56 L57 | L29-L53 HydrophobicContact CD1-CD2 3.99Å; L29-L53 HydrophobicContact CD1-CG 4.23Å; L29-L53 HydrophobicContact CD2-CD2 4.38Å; L49-L53 HydrophobicContact CD2-CD1 3.74Å; L49-L53 HydrophobicContact CD2-CG 4.49Å; L49-L53 WeakPolarHBondContact O-CG 3.36Å; L49-L53 PolarHBondContact O-N 2.89Å; N50-L53 PolarHBondContact O-N 2.83Å; L51-L53 VanDerWaalsContact C-N 3.26Å; L51-L53 PolarHBondContact O-N 3.25Å; L53-L56 PolarHBondContact O-N 3.31Å; L53-L57 PolarHBondContact O-N 2.94Å |
| 54 | A | 83.8 | Confident | 82 | Confident | 11 Ų | 11 | 39.8 Ų | 39.8 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -62.9 | -42.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N50 L51 L57 L58 C95 L99 | N50-A54 PolarHBondContact O-N 2.87Å; L51-A54 PolarHBondContact O-N 2.78Å; L51-A54 VanDerWaalsContact O-N 3.13Å; A54-L57 WeakPolarHBondContact O-CB 3.29Å; A54-L57 PolarHBondContact O-N 3.42Å; A54-L58 PolarHBondContact O-N 3.03Å; A54-C95 HydrophobicContact CB-CB 4.46Å; A54-L99 HydrophobicContact CB-CD1 4.4Å |
| 55 | D | 87.6 | Confident | 82.6 | Confident | 37 Ų | 37 | 40.2 Ų | 40.2 | 20% | 0.198 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.5 | -37.8 | 177.7 | -66.3 | -24.9 | 0 | 0 | 0 | 111.9 | L51 L58 L59 S96 | L51-D55 PolarHBondContact O-N 3.03Å; D55-L58 WeakPolarHBondContact O-CB 3.2Å; D55-L58 PolarHBondContact O-N 3.47Å; D55-L59 WeakPolarHBondContact O-CB 3.43Å; D55-L59 WeakPolarHBondContact O-CD1 3.27Å; D55-L59 VanDerWaalsContact O-CG 3.22Å; D55-L59 WeakPolarHBondContact O-CG 3.36Å; D55-L59 PolarHBondContact O-N 3.42Å; D55-S96 PolarHBondContact OD1-OG 2.94Å |
| 56 | L | 86.1 | Confident | 83 | Confident | 24 Ų | 24 | 39.2 Ų | 39.2 | 13% | 0.126 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.4 | -40.1 | 172.5 | -76.4 | 169.9 | 0 | 0 | 0 | 112.1 | L22 N25 L29 T52 L53 L59 L60 | L22-L56 HydrophobicContact CD2-CD2 4.4Å; N25-L56 HydrophobicContact CB-CD2 3.87Å; N25-L56 HydrophobicContact CB-CG 4Å; L29-L56 HydrophobicContact CB-CD1 4.4Å; L29-L56 HydrophobicContact CD2-CD1 3.73Å; T52-L56 WeakPolarHBondContact O-CB 3.28Å; T52-L56 VanDerWaalsContact O-CG 3.26Å; T52-L56 WeakPolarHBondContact O-CG 3.41Å; T52-L56 PolarHBondContact O-N 3.14Å; L53-L56 PolarHBondContact O-N 3.31Å; L56-L59 PolarHBondContact O-N 2.87Å; L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.29Å |
| 57 | L | 84 | Confident | 83.5 | Confident | 93 Ų | 93 | 39.7 Ų | 39.7 | 49% | 0.487 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -61.9 | -44.1 | 175.3 | -173.4 | 67.9 | 0 | 0 | 0 | 111.1 | L53 A54 L59 L60 L61 | L53-L57 PolarHBondContact O-N 2.94Å; A54-L57 WeakPolarHBondContact O-CB 3.29Å; A54-L57 PolarHBondContact O-N 3.42Å; L57-L59 PolarHBondContact O-N 3.43Å; L57-L60 PolarHBondContact O-N 3.41Å; L57-L61 WeakPolarHBondContact O-CG 3.47Å; L57-L61 PolarHBondContact O-N 3.23Å; L57-L61 VanDerWaalsContact O-N 3.15Å |
| 58 | L | 84.6 | Confident | 83.9 | Confident | 30 Ų | 30 | 40.9 Ų | 40.9 | 16% | 0.157 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.2 | -48.1 | 173.1 | -176.9 | 80.3 | 0 | 0 | 0 | 111.5 | A54 D55 L60 L61 L62 F89 I93 | A54-L58 PolarHBondContact O-N 3.03Å; D55-L58 WeakPolarHBondContact O-CB 3.2Å; D55-L58 PolarHBondContact O-N 3.47Å; L58-L60 VanDerWaalsContact C-N 3.29Å; L58-L60 PolarHBondContact O-N 2.95Å; L58-L61 PolarHBondContact O-N 2.99Å; L58-L62 HydrophobicContact CG-CD1 4.31Å; L58-L62 PolarHBondContact O-N 2.98Å; L58-F89 HydrophobicContact CD1-CB 4.42Å; L58-F89 HydrophobicContact CD1-CD2 3.39Å; L58-F89 HydrophobicContact CD1-CE2 3.69Å; L58-F89 HydrophobicContact CD1-CG 3.91Å; L58-F89 HydrophobicContact CD1-CZ 4.41Å; L58-F89 WeakPolarHBondContact CD1-O 3.26Å; L58-F89 HydrophobicContact CG-CD2 4.32Å; L58-F89 HydrophobicContact CG-CE2 4.35Å; L58-I93 HydrophobicContact CD1-CG1 4.21Å |
| 59 | L | 88 | Confident | 83.9 | Confident | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.7 | -32.7 | -179.4 | -71.8 | 164.1 | 0 | 0 | 0 | 112.5 | I17 F18 G21 L22 N25 D55 L56 L57 L61 L62 P63 | I17-L59 HydrophobicContact CG2-CD2 4.05Å; I17-L59 WeakPolarHBondContact O-CD2 3.26Å; F18-L59 VanDerWaalsContact CD2-O 3.3Å; F18-L59 WeakPolarHBondContact CD2-O 3.2Å; F18-L59 VanDerWaalsContact CE2-O 3.31Å; F18-L59 WeakPolarHBondContact CE2-O 3.32Å; G21-L59 WeakPolarHBondContact O-CD1 3.33Å; L22-L59 HydrophobicContact CG-CB 4.44Å; N25-L59 HydrophobicContact CB-CD1 4.3Å; D55-L59 WeakPolarHBondContact O-CB 3.43Å; D55-L59 WeakPolarHBondContact O-CD1 3.27Å; D55-L59 VanDerWaalsContact O-CG 3.22Å; D55-L59 WeakPolarHBondContact O-CG 3.36Å; D55-L59 PolarHBondContact O-N 3.42Å; L56-L59 PolarHBondContact O-N 2.87Å; L57-L59 PolarHBondContact O-N 3.43Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L59-L62 WeakPolarHBondContact O-CB 3.46Å; L59-L62 PolarHBondContact O-N 2.95Å; L59-P63 WeakPolarHBondContact O-CD 3.49Å |
| 60 | L | 85.8 | Confident | 83.9 | Confident | 105 Ų | 105 | 41.1 Ų | 41.1 | 55% | 0.55 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -69.4 | -27.8 | 172.8 | -72.9 | 169.3 | 0 | 0 | 0 | 112.8 | L56 L57 L58 P63 | L56-L60 VanDerWaalsContact O-CG 3.29Å; L56-L60 WeakPolarHBondContact O-CG 3.46Å; L56-L60 PolarHBondContact O-N 3.29Å; L57-L60 PolarHBondContact O-N 3.41Å; L58-L60 VanDerWaalsContact C-N 3.29Å; L58-L60 PolarHBondContact O-N 2.95Å; L60-P63 VanDerWaalsContact O-CD 3.3Å; L60-P63 WeakPolarHBondContact O-CD 3.41Å; L60-P63 VanDerWaalsContact O-CG 3.24Å; L60-P63 WeakPolarHBondContact O-CG 3.38Å |
| 61 | L | 83.9 | Confident | 84 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -84.7 | -24.1 | 176 | -65.2 | 174.3 | 0 | 0 | 0 | 113.1 | L57 L58 L59 F64 R65 T85 G88 | L57-L61 WeakPolarHBondContact O-CG 3.47Å; L57-L61 PolarHBondContact O-N 3.23Å; L57-L61 VanDerWaalsContact O-N 3.15Å; L58-L61 PolarHBondContact O-N 2.99Å; L59-L61 VanDerWaalsContact C-N 3.31Å; L61-F64 WeakPolarHBondContact O-CB 3.15Å; L61-F64 PolarHBondContact O-N 2.97Å; L61-R65 PolarHBondContact O-N 3.15Å; L61-T85 HydrophobicContact CB-CG2 4.48Å; L61-G88 VanDerWaalsContact CD1-CA 3.47Å |
| 62 | L | 85.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -52.5 | -44.4 | 175.9 | -125.5 | 102.2 | 0 | 0 | 0 | 115.4 | Y14 I17 F18 L58 L59 F64 R65 I66 F89 | Y14-L62 HydrophobicContact CD1-CD2 4.42Å; Y14-L62 HydrophobicContact CG-CD2 4.34Å; Y14-L62 WeakPolarHBondContact O-CD2 3.41Å; I17-L62 HydrophobicContact CB-CD2 4.22Å; I17-L62 HydrophobicContact CG2-CD1 4.42Å; I17-L62 HydrophobicContact CG2-CD2 4.12Å; F18-L62 HydrophobicContact CB-CD2 4.03Å; F18-L62 HydrophobicContact CD2-CB 4.36Å; L58-L62 HydrophobicContact CG-CD1 4.31Å; L58-L62 PolarHBondContact O-N 2.98Å; L59-L62 WeakPolarHBondContact O-CB 3.46Å; L59-L62 PolarHBondContact O-N 2.95Å; L62-F64 PolarHBondContact O-N 3.13Å; L62-R65 WeakPolarHBondContact O-CA 3.48Å; L62-R65 WeakPolarHBondContact O-CB 3.44Å; L62-R65 PolarHBondContact O-N 2.92Å; L62-I66 WeakPolarHBondContact O-CG1 3.37Å; L62-I66 PolarHBondContact O-N 3.28Å; L62-F89 HydrophobicContact CD1-CE2 3.94Å |
| 63 | P | 83.7 | Confident | 83.2 | Confident | 45 Ų | 45 | 48.9 Ų | 48.9 | 29% | 0.292 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.7 | -32.7 | 179.1 | 21.5 | -34.2 | 0 | 0 | 0 | 113 | F18 L59 L60 R65 I66 V67 | F18-P63 HydrophobicContact CE2-CG 4.18Å; L59-P63 WeakPolarHBondContact O-CD 3.49Å; L60-P63 VanDerWaalsContact O-CD 3.3Å; L60-P63 WeakPolarHBondContact O-CD 3.41Å; L60-P63 VanDerWaalsContact O-CG 3.24Å; L60-P63 WeakPolarHBondContact O-CG 3.38Å; P63-R65 VanDerWaalsContact C-N 3.32Å; P63-R65 PolarHBondContact O-N 3Å; P63-I66 PolarHBondContact O-N 3.41Å; P63-V67 WeakPolarHBondContact O-CG2 3.42Å; P63-V67 PolarHBondContact O-N 2.92Å |
| 64 | F | 84.5 | Confident | 82.9 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 33% | 0.329 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -65.6 | -36.8 | 174.3 | -63.6 | -84.6 | 0 | 0 | 0 | 111.7 | L61 L62 V67 E68 W75 L77 V81 T85 | L61-F64 WeakPolarHBondContact O-CB 3.15Å; L61-F64 PolarHBondContact O-N 2.97Å; L62-F64 PolarHBondContact O-N 3.13Å; F64-V67 PolarHBondContact O-N 3.44Å; F64-E68 PolarHBondContact O-N 2.74Å; F64-E68 VanDerWaalsContact O-N 3.1Å; F64-W75 HydrophobicContact CB-CH2 4.14Å; F64-L77 HydrophobicContact CD1-CD2 3.89Å; F64-L77 HydrophobicContact CE1-CD2 3.96Å; F64-V81 HydrophobicContact CD1-CG1 4.13Å; F64-V81 HydrophobicContact CE1-CG1 4.2Å; F64-T85 HydrophobicContact CB-CG2 3.73Å |
| 65 | R | 83.1 | Confident | 82.6 | Confident | 38 Ų | 38 | 54.2 Ų | 54.2 | 14% | 0.143 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -69.5 | -35.1 | 172.5 | -68.3 | -60.9 | -163.6 | 173.7 | 5.4 | 113 | Y14 L61 L62 P63 E68 A69 T85 | Y14-R65 HydrophobicContact CD2-CB 4.28Å; Y14-R65 HydrophobicContact CE2-CB 4.03Å; L61-R65 PolarHBondContact O-N 3.15Å; L62-R65 WeakPolarHBondContact O-CA 3.48Å; L62-R65 WeakPolarHBondContact O-CB 3.44Å; L62-R65 PolarHBondContact O-N 2.92Å; P63-R65 VanDerWaalsContact C-N 3.32Å; P63-R65 PolarHBondContact O-N 3Å; R65-E68 VanDerWaalsContact CD-OE2 3.3Å; R65-E68 WeakPolarHBondContact CD-OE2 3.04Å; R65-E68 IonicContact CZ-OE2 3.71Å; R65-E68 IonicContact NE-OE2 3.94Å; R65-E68 IonicContact NH1-OE1 3.47Å; R65-E68 PolarHBondContact NH1-OE1 3.32Å; R65-E68 IonicContact NH1-OE2 2.72Å; R65-E68 PolarHBondContact NH1-OE2 2.89Å; R65-E68 PolarHBondContact O-N 2.83Å; R65-A69 WeakPolarHBondContact O-CB 3.49Å; R65-A69 PolarHBondContact O-N 2.86Å; R65-T85 HydrophobicContact CG-CG2 3.95Å |
| 66 | I | 84.7 | Confident | 82.1 | Confident | 29 Ų | 29 | 60.1 Ų | 60.1 | 15% | 0.149 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -63.5 | -43.8 | 174.5 | -65.9 | 168 | 0 | 0 | 0 | 110.3 | L11 Y14 I15 L62 P63 A69 A70 | L11-I66 HydrophobicContact CD1-CG2 4.12Å; L11-I66 HydrophobicContact CG-CG2 4.45Å; Y14-I66 HydrophobicContact CD2-CG1 4.27Å; Y14-I66 HydrophobicContact CG-CG1 4.39Å; I15-I66 HydrophobicContact CG1-CD1 3.94Å; I15-I66 HydrophobicContact CG1-CG1 4.49Å; I15-I66 HydrophobicContact CG1-CG2 4.24Å; L62-I66 WeakPolarHBondContact O-CG1 3.37Å; L62-I66 PolarHBondContact O-N 3.28Å; P63-I66 PolarHBondContact O-N 3.41Å; I66-A69 PolarHBondContact O-N 3.39Å; I66-A70 VanDerWaalsContact O-CB 3.3Å; I66-A70 WeakPolarHBondContact O-CB 3.42Å; I66-A70 PolarHBondContact O-N 2.66Å |
| 67 | V | 84.3 | Confident | 81.7 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 46% | 0.455 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.2 | -40.1 | 177.2 | 173 | 0 | 0 | 0 | 0 | 111.5 | P63 F64 S71 L77 | P63-V67 WeakPolarHBondContact O-CG2 3.42Å; P63-V67 PolarHBondContact O-N 2.92Å; F64-V67 PolarHBondContact O-N 3.44Å; V67-S71 WeakPolarHBondContact O-CB 3.05Å; V67-S71 PolarHBondContact O-N 3.28Å; V67-S71 VanDerWaalsContact O-N 3.08Å; V67-S71 PolarHBondContact O-OG 3.19Å; V67-L77 HydrophobicContact CG1-CD1 4.43Å |
| 68 | E | 82.2 | Confident | 81.7 | Confident | 28 Ų | 28 | 61.3 Ų | 61.3 | 13% | 0.131 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.5 | -48.6 | 173.5 | 179.8 | -177.5 | -122.2 | 0 | 0 | 111.8 | F64 R65 S71 F73 W75 | F64-E68 PolarHBondContact O-N 2.74Å; F64-E68 VanDerWaalsContact O-N 3.1Å; R65-E68 VanDerWaalsContact CD-OE2 3.3Å; R65-E68 WeakPolarHBondContact CD-OE2 3.04Å; R65-E68 IonicContact CZ-OE2 3.71Å; R65-E68 IonicContact NE-OE2 3.94Å; R65-E68 IonicContact NH1-OE1 3.47Å; R65-E68 PolarHBondContact NH1-OE1 3.32Å; R65-E68 IonicContact NH1-OE2 2.72Å; R65-E68 PolarHBondContact NH1-OE2 2.89Å; R65-E68 PolarHBondContact O-N 2.83Å; E68-S71 WeakPolarHBondContact O-CB 3.31Å; E68-S71 PolarHBondContact O-N 2.9Å; E68-S71 VanDerWaalsContact O-N 3.13Å; E68-F73 VanDerWaalsContact O-CA 3.23Å; E68-F73 WeakPolarHBondContact O-CA 3.34Å; E68-F73 PolarHBondContact O-N 3.48Å; E68-W75 HydrophobicContact CB-CE3 3.8Å; E68-W75 HydrophobicContact CB-CZ3 3.93Å; E68-W75 HydrophobicContact CG-CE3 3.84Å; E68-W75 HydrophobicContact CG-CZ3 4.33Å; E68-W75 VanDerWaalsContact OE1-CE3 3.26Å |
| 69 | A | 79.4 | Confident | 81.3 | Confident | 9 Ų | 9 | 68.9 Ų | 68.9 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -41.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L11 R65 I66 S71 N72 | L11-A69 HydrophobicContact CD1-CB 4.12Å; R65-A69 WeakPolarHBondContact O-CB 3.49Å; R65-A69 PolarHBondContact O-N 2.86Å; I66-A69 PolarHBondContact O-N 3.39Å; A69-S71 PolarHBondContact O-N 3.24Å; A69-N72 PolarHBondContact O-N 2.96Å |
| 70 | A | 79.4 | Confident | 80.7 | Confident | 67 Ų | 67 | 75.2 Ų | 75.2 | 55% | 0.554 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.2 | -27.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L11 I66 N72 | L11-A70 HydrophobicContact CD1-CB 3.83Å; I66-A70 VanDerWaalsContact O-CB 3.3Å; I66-A70 WeakPolarHBondContact O-CB 3.42Å; I66-A70 PolarHBondContact O-N 2.66Å; A70-N72 VanDerWaalsContact C-N 3.25Å; A70-N72 PolarHBondContact O-N 3.33Å |
| 71 | S | 82.4 | Confident | 80.2 | Confident | 27 Ų | 27 | 72 Ų | 72 | 19% | 0.189 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | 17.7 | -178.8 | -66.9 | 0 | 0 | 0 | 0 | 113.8 | V67 E68 A69 F73 R74 | V67-S71 WeakPolarHBondContact O-CB 3.05Å; V67-S71 PolarHBondContact O-N 3.28Å; V67-S71 VanDerWaalsContact O-N 3.08Å; V67-S71 PolarHBondContact O-OG 3.19Å; E68-S71 WeakPolarHBondContact O-CB 3.31Å; E68-S71 PolarHBondContact O-N 2.9Å; E68-S71 VanDerWaalsContact O-N 3.13Å; A69-S71 PolarHBondContact O-N 3.24Å; S71-F73 VanDerWaalsContact C-N 3.32Å; S71-R74 WeakPolarHBondContact CB-O 3.38Å; S71-R74 VanDerWaalsContact O-CB 3.31Å; S71-R74 WeakPolarHBondContact O-CB 3.18Å; S71-R74 PolarHBondContact O-N 3.35Å |
| 72 | N | 77.9 | Confident | 80.1 | Confident | 113 Ų | 113 | 73 Ų | 73 | 60% | 0.604 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 42.4 | -169.7 | -62.3 | -81.6 | 0 | 0 | 0 | 112.5 | A69 A70 R74 | A69-N72 PolarHBondContact O-N 2.96Å; A70-N72 VanDerWaalsContact C-N 3.25Å; A70-N72 PolarHBondContact O-N 3.33Å; N72-R74 PolarHBondContact O-N 3.38Å; N72-R74 VanDerWaalsContact O-N 3.12Å |
| 73 | F | 74.4 | Confident | 79.7 | Confident | 109 Ų | 109 | 74.5 Ų | 74.5 | 48% | 0.478 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.6 | 21.5 | -175.5 | -58.2 | -84.9 | 0 | 0 | 0 | 114.1 | I10 E68 S71 | I10-F73 HydrophobicContact CD1-CZ 4.44Å; E68-F73 VanDerWaalsContact O-CA 3.23Å; E68-F73 WeakPolarHBondContact O-CA 3.34Å; E68-F73 PolarHBondContact O-N 3.48Å; S71-F73 VanDerWaalsContact C-N 3.32Å |
| 74 | R | 75.7 | Confident | 79.4 | Confident | 149 Ų | 149 | 77.6 Ų | 77.6 | 56% | 0.562 | 39% | 0.393 | S | S | * | . | trans | -91.7 | 118.5 | 172 | -60.7 | -163.7 | -68.8 | -135.8 | -0.7 | 109.6 | S71 N72 Y76 | S71-R74 WeakPolarHBondContact CB-O 3.38Å; S71-R74 VanDerWaalsContact O-CB 3.31Å; S71-R74 WeakPolarHBondContact O-CB 3.18Å; S71-R74 PolarHBondContact O-N 3.35Å; N72-R74 PolarHBondContact O-N 3.38Å; N72-R74 VanDerWaalsContact O-N 3.12Å; R74-Y76 HydrophobicContact CB-CD2 4.49Å; R74-Y76 HydrophobicContact CB-CE2 3.8Å; R74-Y76 PolarHBondContact NE-OH 2.93Å; R74-Y76 PolarHBondContact NH2-OH 3.39Å; R74-Y76 VanDerWaalsContact O-CD2 3.3Å; R74-Y76 WeakPolarHBondContact O-CD2 3.23Å | ||
| 75 | W | 77.3 | Confident | 79.2 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 21% | 0.208 | 38% | 0.378 | C | S | . | . | trans | -86 | 111.8 | 179.5 | -170.6 | -89.5 | 0 | 0 | 0 | 111.1 | F64 E68 L77 P78 V81 C82 T85 | F64-W75 HydrophobicContact CB-CH2 4.14Å; E68-W75 HydrophobicContact CB-CE3 3.8Å; E68-W75 HydrophobicContact CB-CZ3 3.93Å; E68-W75 HydrophobicContact CG-CE3 3.84Å; E68-W75 HydrophobicContact CG-CZ3 4.33Å; E68-W75 VanDerWaalsContact OE1-CE3 3.26Å; W75-L77 HydrophobicContact CZ2-CB 3.69Å; W75-L77 HydrophobicContact CZ2-CD1 4.48Å; W75-L77 HydrophobicContact CZ2-CG 4.48Å; W75-L77 VanDerWaalsContact NE1-C 3.3Å; W75-L77 VanDerWaalsContact NE1-CB 3.33Å; W75-L77 PolarHBondContact NE1-O 2.87Å; W75-P78 PolarHBondContact NE1-O 3.25Å; W75-V81 HydrophobicContact CH2-CG1 4.5Å; W75-V81 HydrophobicContact CZ2-CB 4.02Å; W75-V81 HydrophobicContact CZ2-CG1 3.91Å; W75-C82 HydrophobicContact CD2-CB 3.79Å; W75-C82 VanDerWaalsContact CE2-CA 3.42Å; W75-C82 VanDerWaalsContact CE2-CB 3.42Å; W75-C82 HydrophobicContact CG-CB 4Å; W75-C82 HydrophobicContact CZ2-CB 3.9Å; W75-T85 HydrophobicContact CH2-CG2 4.28Å | ||
| 76 | Y | 77 | Confident | 79 | Confident | 160 Ų | 160 | 72.8 Ų | 72.8 | 63% | 0.627 | 38% | 0.376 | S | S | * | . | trans | -98.3 | -11.4 | 180 | -66.1 | -78.3 | 0 | 0 | 0 | 113.9 | R74 | R74-Y76 HydrophobicContact CB-CD2 4.49Å; R74-Y76 HydrophobicContact CB-CE2 3.8Å; R74-Y76 PolarHBondContact NE-OH 2.93Å; R74-Y76 PolarHBondContact NH2-OH 3.39Å; R74-Y76 VanDerWaalsContact O-CD2 3.3Å; R74-Y76 WeakPolarHBondContact O-CD2 3.23Å | ||
| 77 | L | 78.4 | Confident | 78.6 | Confident | 60 Ų | 60 | 74.4 Ų | 74.4 | 31% | 0.314 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -79 | 169.3 | 177.3 | -81.2 | 95.9 | 0 | 0 | 0 | 111.3 | F64 V67 W75 V81 | F64-L77 HydrophobicContact CD1-CD2 3.89Å; F64-L77 HydrophobicContact CE1-CD2 3.96Å; V67-L77 HydrophobicContact CG1-CD1 4.43Å; W75-L77 HydrophobicContact CZ2-CB 3.69Å; W75-L77 HydrophobicContact CZ2-CD1 4.48Å; W75-L77 HydrophobicContact CZ2-CG 4.48Å; W75-L77 VanDerWaalsContact NE1-C 3.3Å; W75-L77 VanDerWaalsContact NE1-CB 3.33Å; W75-L77 PolarHBondContact NE1-O 2.87Å; L77-V81 HydrophobicContact CB-CB 4.36Å; L77-V81 HydrophobicContact CD2-CB 4.41Å; L77-V81 HydrophobicContact CD2-CG1 3.91Å |
| 78 | P | 82.9 | Confident | 78.3 | Confident | 82 Ų | 82 | 71.3 Ų | 71.3 | 53% | 0.532 | 37% | 0.366 | S | S | . | . | trans | -56.3 | 146.9 | 175.5 | -22.1 | 31.6 | 0 | 0 | 0 | 111.9 | W75 I80 V81 C82 | W75-P78 PolarHBondContact NE1-O 3.25Å; P78-I80 PolarHBondContact O-N 3.4Å; P78-I80 VanDerWaalsContact O-N 3.16Å; P78-V81 HydrophobicContact CB-CG2 4.15Å; P78-V81 HydrophobicContact CG-CG2 4.12Å; P78-V81 PolarHBondContact O-N 2.91Å; P78-C82 PolarHBondContact O-N 3.49Å | ||
| 79 | K | 77.3 | Confident | 78.2 | Confident | 189 Ų | 189 | 71.5 Ų | 71.5 | 82% | 0.822 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -54.5 | -35 | 177.6 | -68.3 | -177.1 | 178.6 | -177.2 | 0 | 112.8 | V81 C82 A83 | K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 3.46Å; K79-C82 WeakPolarHBondContact O-CB 3.39Å; K79-C82 PolarHBondContact O-N 3.06Å; K79-A83 PolarHBondContact O-N 2.87Å |
| 80 | I | 74.8 | Confident | 78.2 | Confident | 139 Ų | 139 | 77.6 Ų | 77.6 | 71% | 0.713 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | 176.9 | -61.8 | 163.8 | 0 | 0 | 0 | 110.7 | P78 A83 L84 | P78-I80 PolarHBondContact O-N 3.4Å; P78-I80 VanDerWaalsContact O-N 3.16Å; I80-A83 PolarHBondContact O-N 2.92Å; I80-L84 VanDerWaalsContact O-CB 3.3Å; I80-L84 WeakPolarHBondContact O-CB 3.24Å; I80-L84 PolarHBondContact O-N 2.97Å |
| 81 | V | 76.1 | Confident | 78 | Confident | 38 Ų | 38 | 75.4 Ų | 75.4 | 23% | 0.23 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -71.1 | -37.5 | 179 | -171.2 | 0 | 0 | 0 | 0 | 110.4 | F64 W75 L77 P78 K79 A83 L84 T85 | F64-V81 HydrophobicContact CD1-CG1 4.13Å; F64-V81 HydrophobicContact CE1-CG1 4.2Å; W75-V81 HydrophobicContact CH2-CG1 4.5Å; W75-V81 HydrophobicContact CZ2-CB 4.02Å; W75-V81 HydrophobicContact CZ2-CG1 3.91Å; L77-V81 HydrophobicContact CB-CB 4.36Å; L77-V81 HydrophobicContact CD2-CB 4.41Å; L77-V81 HydrophobicContact CD2-CG1 3.91Å; P78-V81 HydrophobicContact CB-CG2 4.15Å; P78-V81 HydrophobicContact CG-CG2 4.12Å; P78-V81 PolarHBondContact O-N 2.91Å; K79-V81 VanDerWaalsContact C-N 3.3Å; K79-V81 PolarHBondContact O-N 3.46Å; V81-A83 PolarHBondContact O-N 3.03Å; V81-L84 PolarHBondContact O-N 3.41Å; V81-T85 VanDerWaalsContact O-CB 3.3Å; V81-T85 WeakPolarHBondContact O-CB 3.3Å; V81-T85 PolarHBondContact O-N 3.47Å; V81-T85 PolarHBondContact O-OG1 3.25Å |
| 82 | C | 81 | Confident | 78 | Confident | 43 Ų | 43 | 74.3 Ų | 74.3 | 29% | 0.291 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56.9 | -52 | 174 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | W75 P78 K79 L84 T85 G86 | W75-C82 HydrophobicContact CD2-CB 3.79Å; W75-C82 VanDerWaalsContact CE2-CA 3.42Å; W75-C82 VanDerWaalsContact CE2-CB 3.42Å; W75-C82 HydrophobicContact CG-CB 4Å; W75-C82 HydrophobicContact CZ2-CB 3.9Å; P78-C82 PolarHBondContact O-N 3.49Å; K79-C82 WeakPolarHBondContact O-CB 3.39Å; K79-C82 PolarHBondContact O-N 3.06Å; C82-L84 PolarHBondContact O-N 2.88Å; C82-T85 PolarHBondContact O-N 3.29Å; C82-G86 PolarHBondContact O-N 2.94Å |
| 83 | A | 77.3 | Confident | 78.1 | Confident | 34 Ų | 34 | 72.2 Ų | 72.2 | 28% | 0.281 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | K79 I80 V81 T85 G86 F87 | K79-A83 PolarHBondContact O-N 2.87Å; I80-A83 PolarHBondContact O-N 2.92Å; V81-A83 PolarHBondContact O-N 3.03Å; A83-T85 PolarHBondContact O-N 3.48Å; A83-G86 PolarHBondContact O-N 3.38Å; A83-F87 WeakPolarHBondContact O-CB 3.22Å; A83-F87 PolarHBondContact O-N 3.06Å |
| 84 | L | 77.3 | Confident | 78.4 | Confident | 110 Ų | 110 | 74 Ų | 74 | 58% | 0.576 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 179.6 | -167.9 | 72.1 | 0 | 0 | 0 | 112.6 | I80 V81 C82 G88 | I80-L84 VanDerWaalsContact O-CB 3.3Å; I80-L84 WeakPolarHBondContact O-CB 3.24Å; I80-L84 PolarHBondContact O-N 2.97Å; V81-L84 PolarHBondContact O-N 3.41Å; C82-L84 PolarHBondContact O-N 2.88Å; L84-G88 WeakPolarHBondContact O-CA 3.09Å; L84-G88 PolarHBondContact O-N 3.4Å |
| 85 | T | 80.3 | Confident | 78.3 | Confident | 2 Ų | 2 | 68.3 Ų | 68.3 | 1% | 0.012 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -65.6 | -44.9 | 177.2 | -60.6 | 0 | 0 | 0 | 0 | 111 | L61 F64 R65 W75 V81 C82 A83 F89 | L61-T85 HydrophobicContact CB-CG2 4.48Å; F64-T85 HydrophobicContact CB-CG2 3.73Å; R65-T85 HydrophobicContact CG-CG2 3.95Å; W75-T85 HydrophobicContact CH2-CG2 4.28Å; V81-T85 VanDerWaalsContact O-CB 3.3Å; V81-T85 WeakPolarHBondContact O-CB 3.3Å; V81-T85 PolarHBondContact O-N 3.47Å; V81-T85 PolarHBondContact O-OG1 3.25Å; C82-T85 PolarHBondContact O-N 3.29Å; A83-T85 PolarHBondContact O-N 3.48Å; T85-F89 VanDerWaalsContact O-CB 3.23Å; T85-F89 WeakPolarHBondContact O-CB 3.46Å; T85-F89 PolarHBondContact O-N 3.48Å |
| 86 | G | 78.4 | Confident | 78.5 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 10% | 0.103 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -64.9 | -52 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | C82 A83 G88 F89 Y90 | C82-G86 PolarHBondContact O-N 2.94Å; A83-G86 PolarHBondContact O-N 3.38Å; G86-G88 PolarHBondContact O-N 3.15Å; G86-F89 PolarHBondContact O-N 3.16Å; G86-Y90 WeakPolarHBondContact O-CD2 3.44Å; G86-Y90 PolarHBondContact O-N 3.19Å; G86-Y90 VanDerWaalsContact O-N 3.11Å |
| 87 | F | 77.3 | Confident | 78.7 | Confident | 63 Ų | 63 | 62.5 Ų | 62.5 | 28% | 0.276 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -57.2 | -50.2 | 177.7 | 177.9 | -102.7 | 0 | 0 | 0 | 112.6 | A83 F89 Y90 S91 M136 H140 | A83-F87 WeakPolarHBondContact O-CB 3.22Å; A83-F87 PolarHBondContact O-N 3.06Å; F87-F89 VanDerWaalsContact C-N 3.29Å; F87-F89 PolarHBondContact O-N 3.21Å; F87-Y90 PolarHBondContact O-N 2.94Å; F87-S91 WeakPolarHBondContact O-CB 3.24Å; F87-S91 PolarHBondContact O-N 3.48Å; F87-M136 HydrophobicContact CD1-SD 4.47Å; F87-M136 HydrophobicContact CE1-CB 4.33Å; F87-M136 HydrophobicContact CE1-CG 4.02Å; F87-M136 HydrophobicContact CE1-SD 3.38Å; F87-M136 WeakPolarHBondContact CE1-SD 3.21Å; F87-M136 HydrophobicContact CE2-CB 4.19Å; F87-M136 HydrophobicContact CE2-CG 4.04Å; F87-M136 HydrophobicContact CE2-SD 4.44Å; F87-M136 HydrophobicContact CZ-CB 3.45Å; F87-M136 VanDerWaalsContact CZ-CB 3.45Å; F87-M136 HydrophobicContact CZ-CG 3.36Å; F87-M136 WeakPolarHBondContact CZ-O 3.44Å; F87-M136 HydrophobicContact CZ-SD 3.41Å; F87-M136 WeakPolarHBondContact CZ-SD 3.45Å; F87-H140 AromaticContact CD2-CD2 3.84Å |
| 88 | G | 76.9 | Confident | 78.5 | Confident | 10 Ų | 10 | 67 Ų | 67 | 10% | 0.103 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.1 | -34.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L61 L84 G86 S92 | L61-G88 VanDerWaalsContact CD1-CA 3.47Å; L84-G88 WeakPolarHBondContact O-CA 3.09Å; L84-G88 PolarHBondContact O-N 3.4Å; G86-G88 PolarHBondContact O-N 3.15Å; G88-S92 WeakPolarHBondContact O-CB 3.36Å; G88-S92 PolarHBondContact O-N 2.96Å; G88-S92 PolarHBondContact O-OG 2.9Å |
| 89 | F | 80.8 | Confident | 78.2 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -64.5 | -52.5 | 176 | -171.5 | -93.5 | 0 | 0 | 0 | 111.7 | L58 L62 T85 G86 F87 S92 I93 | L58-F89 HydrophobicContact CD1-CB 4.42Å; L58-F89 HydrophobicContact CD1-CD2 3.39Å; L58-F89 HydrophobicContact CD1-CE2 3.69Å; L58-F89 HydrophobicContact CD1-CG 3.91Å; L58-F89 HydrophobicContact CD1-CZ 4.41Å; L58-F89 WeakPolarHBondContact CD1-O 3.26Å; L58-F89 HydrophobicContact CG-CD2 4.32Å; L58-F89 HydrophobicContact CG-CE2 4.35Å; L62-F89 HydrophobicContact CD1-CE2 3.94Å; T85-F89 VanDerWaalsContact O-CB 3.23Å; T85-F89 WeakPolarHBondContact O-CB 3.46Å; T85-F89 PolarHBondContact O-N 3.48Å; G86-F89 PolarHBondContact O-N 3.16Å; F87-F89 VanDerWaalsContact C-N 3.29Å; F87-F89 PolarHBondContact O-N 3.21Å; F89-S92 PolarHBondContact O-N 3.43Å; F89-I93 HydrophobicContact CD1-CD1 3.75Å; F89-I93 HydrophobicContact CE1-CD1 3.44Å; F89-I93 VanDerWaalsContact CE1-CD1 3.44Å; F89-I93 HydrophobicContact CZ-CD1 4.07Å; F89-I93 WeakPolarHBondContact O-CG1 3.49Å; F89-I93 PolarHBondContact O-N 3.38Å |
| 90 | Y | 78.9 | Confident | 78.3 | Confident | 137 Ų | 137 | 59.3 Ų | 59.3 | 54% | 0.537 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 178.4 | -70 | -68.3 | 0 | 0 | 0 | 111.9 | G86 F87 S92 I93 Y94 | G86-Y90 WeakPolarHBondContact O-CD2 3.44Å; G86-Y90 PolarHBondContact O-N 3.19Å; G86-Y90 VanDerWaalsContact O-N 3.11Å; F87-Y90 PolarHBondContact O-N 2.94Å; Y90-S92 VanDerWaalsContact C-N 3.32Å; Y90-S92 PolarHBondContact O-N 3.49Å; Y90-I93 PolarHBondContact O-N 3.02Å; Y90-Y94 WeakPolarHBondContact O-CD2 3.44Å; Y90-Y94 PolarHBondContact O-N 3.25Å |
| 91 | S | 76.9 | Confident | 78.5 | Confident | 22 Ų | 22 | 55.2 Ų | 55.2 | 15% | 0.154 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 178.5 | 179.4 | 0 | 0 | 0 | 0 | 111.9 | F87 I93 Y94 C95 M136 | F87-S91 WeakPolarHBondContact O-CB 3.24Å; F87-S91 PolarHBondContact O-N 3.48Å; S91-I93 PolarHBondContact O-N 2.92Å; S91-Y94 PolarHBondContact O-N 2.79Å; S91-C95 VanDerWaalsContact O-CB 3.27Å; S91-C95 WeakPolarHBondContact O-CB 3.23Å; S91-C95 PolarHBondContact O-N 3.34Å; S91-M136 PolarHBondContact OG-SD 2.97Å |
| 92 | S | 80.6 | Confident | 78.4 | Confident | 3 Ų | 3 | 54.1 Ų | 54.1 | 2% | 0.021 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -40.1 | 178.1 | -57.4 | 0 | 0 | 0 | 0 | 111.7 | G88 F89 Y90 Y94 C95 S96 | G88-S92 WeakPolarHBondContact O-CB 3.36Å; G88-S92 PolarHBondContact O-N 2.96Å; G88-S92 PolarHBondContact O-OG 2.9Å; F89-S92 PolarHBondContact O-N 3.43Å; Y90-S92 VanDerWaalsContact C-N 3.32Å; Y90-S92 PolarHBondContact O-N 3.49Å; S92-Y94 PolarHBondContact O-N 2.92Å; S92-C95 PolarHBondContact O-N 2.81Å; S92-S96 WeakPolarHBondContact O-CB 3.22Å; S92-S96 PolarHBondContact O-N 3.25Å; S92-S96 PolarHBondContact O-OG 3.47Å |
| 93 | I | 81.5 | Confident | 78.3 | Confident | 69 Ų | 69 | 52.9 Ų | 52.9 | 35% | 0.354 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.1 | -46.1 | 175.1 | -68.3 | 167.2 | 0 | 0 | 0 | 111.5 | L58 F89 Y90 S91 T97 | L58-I93 HydrophobicContact CD1-CG1 4.21Å; F89-I93 HydrophobicContact CD1-CD1 3.75Å; F89-I93 HydrophobicContact CE1-CD1 3.44Å; F89-I93 VanDerWaalsContact CE1-CD1 3.44Å; F89-I93 HydrophobicContact CZ-CD1 4.07Å; F89-I93 WeakPolarHBondContact O-CG1 3.49Å; F89-I93 PolarHBondContact O-N 3.38Å; Y90-I93 PolarHBondContact O-N 3.02Å; S91-I93 PolarHBondContact O-N 2.92Å; I93-T97 WeakPolarHBondContact O-CB 3.3Å; I93-T97 PolarHBondContact O-N 3.19Å; I93-T97 PolarHBondContact O-OG1 3.19Å |
| 94 | Y | 79.1 | Confident | 78.4 | Confident | 147 Ų | 147 | 55 Ų | 55 | 58% | 0.576 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -64.4 | -45.6 | 177.7 | -75.2 | -65.3 | 0 | 0 | 0 | 111 | Y90 S91 S92 S96 T97 W98 | Y90-Y94 WeakPolarHBondContact O-CD2 3.44Å; Y90-Y94 PolarHBondContact O-N 3.25Å; S91-Y94 PolarHBondContact O-N 2.79Å; S92-Y94 PolarHBondContact O-N 2.92Å; Y94-S96 PolarHBondContact O-N 3.38Å; Y94-T97 WeakPolarHBondContact O-CB 3.3Å; Y94-T97 PolarHBondContact O-N 3.38Å; Y94-W98 PolarHBondContact O-N 3.48Å |
| 95 | C | 74.8 | Confident | 78.4 | Confident | 30 Ų | 30 | 55.3 Ų | 55.3 | 20% | 0.203 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -57 | -51.1 | 177.7 | -168 | 0 | 0 | 0 | 0 | 111 | A54 S91 S92 T97 W98 L99 | A54-C95 HydrophobicContact CB-CB 4.46Å; S91-C95 VanDerWaalsContact O-CB 3.27Å; S91-C95 WeakPolarHBondContact O-CB 3.23Å; S91-C95 PolarHBondContact O-N 3.34Å; S92-C95 PolarHBondContact O-N 2.81Å; C95-T97 VanDerWaalsContact C-N 3.29Å; C95-T97 PolarHBondContact O-N 3.48Å; C95-W98 PolarHBondContact O-N 3.11Å; C95-L99 WeakPolarHBondContact O-CB 3.47Å; C95-L99 WeakPolarHBondContact O-CD1 3.39Å; C95-L99 WeakPolarHBondContact O-CG 3.09Å; C95-L99 PolarHBondContact O-N 3.41Å |
| 96 | S | 80.4 | Confident | 78.1 | Confident | 11 Ų | 11 | 56.8 Ų | 56.8 | 8% | 0.077 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -39.5 | 177.6 | -64 | 0 | 0 | 0 | 0 | 112 | L51 D55 S92 Y94 L99 L100 | L51-S96 VanDerWaalsContact CD1-CA 3.49Å; D55-S96 PolarHBondContact OD1-OG 2.94Å; S92-S96 WeakPolarHBondContact O-CB 3.22Å; S92-S96 PolarHBondContact O-N 3.25Å; S92-S96 PolarHBondContact O-OG 3.47Å; Y94-S96 PolarHBondContact O-N 3.38Å; S96-L99 PolarHBondContact O-N 3.39Å; S96-L100 WeakPolarHBondContact O-CB 3.46Å; S96-L100 VanDerWaalsContact O-CG 3.24Å; S96-L100 WeakPolarHBondContact O-CG 3.04Å; S96-L100 PolarHBondContact O-N 2.84Å |
| 97 | T | 81.5 | Confident | 78.2 | Confident | 82 Ų | 82 | 64.4 Ų | 64.4 | 50% | 0.503 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.9 | -47 | 176.7 | -55.3 | 0 | 0 | 0 | 0 | 112.3 | I93 Y94 C95 L100 A101 | I93-T97 WeakPolarHBondContact O-CB 3.3Å; I93-T97 PolarHBondContact O-N 3.19Å; I93-T97 PolarHBondContact O-OG1 3.19Å; Y94-T97 WeakPolarHBondContact O-CB 3.3Å; Y94-T97 PolarHBondContact O-N 3.38Å; C95-T97 VanDerWaalsContact C-N 3.29Å; C95-T97 PolarHBondContact O-N 3.48Å; T97-L100 PolarHBondContact O-N 3.03Å; T97-A101 WeakPolarHBondContact O-CB 3.09Å; T97-A101 PolarHBondContact O-N 2.76Å |
| 98 | W | 75.4 | Confident | 78.3 | Confident | 155 Ų | 155 | 68.8 Ų | 68.8 | 59% | 0.587 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.3 | -39.1 | 177.3 | -81.9 | 104.6 | 0 | 0 | 0 | 112.2 | Y94 C95 A101 G102 | Y94-W98 PolarHBondContact O-N 3.48Å; C95-W98 PolarHBondContact O-N 3.11Å; W98-A101 PolarHBondContact O-N 3.01Å; W98-G102 PolarHBondContact O-N 3.5Å |
| 99 | L | 75.4 | Confident | 78.2 | Confident | 10 Ų | 10 | 70.7 Ų | 70.7 | 5% | 0.052 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.6 | -42.6 | 176 | -68.5 | 168 | 0 | 0 | 0 | 111.3 | L47 N50 L51 A54 C95 S96 G102 I103 | L47-L99 HydrophobicContact CD1-CD2 3.64Å; N50-L99 HydrophobicContact CB-CD1 4.22Å; N50-L99 HydrophobicContact CB-CD2 4.03Å; L51-L99 HydrophobicContact CB-CB 4.27Å; L51-L99 HydrophobicContact CB-CD1 4.17Å; L51-L99 HydrophobicContact CD1-CB 3.97Å; L51-L99 HydrophobicContact CD1-CD1 4.29Å; A54-L99 HydrophobicContact CB-CD1 4.4Å; C95-L99 WeakPolarHBondContact O-CB 3.47Å; C95-L99 WeakPolarHBondContact O-CD1 3.39Å; C95-L99 WeakPolarHBondContact O-CG 3.09Å; C95-L99 PolarHBondContact O-N 3.41Å; S96-L99 PolarHBondContact O-N 3.39Å; L99-G102 PolarHBondContact O-N 3.46Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.32Å |
| 100 | L | 79.2 | Confident | 77.9 | Confident | 98 Ų | 98 | 70.6 Ų | 70.6 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 173.7 | -75.5 | 168.9 | 0 | 0 | 0 | 112 | L51 S96 T97 G102 I103 S104 | L51-L100 HydrophobicContact CD1-CG 4.22Å; L51-L100 HydrophobicContact CD2-CD2 3.75Å; L51-L100 HydrophobicContact CD2-CG 4.14Å; S96-L100 WeakPolarHBondContact O-CB 3.46Å; S96-L100 VanDerWaalsContact O-CG 3.24Å; S96-L100 WeakPolarHBondContact O-CG 3.04Å; S96-L100 PolarHBondContact O-N 2.84Å; T97-L100 PolarHBondContact O-N 3.03Å; L100-G102 VanDerWaalsContact C-N 3.33Å; L100-G102 PolarHBondContact O-N 2.82Å; L100-I103 PolarHBondContact O-N 2.76Å; L100-S104 WeakPolarHBondContact O-CB 3.3Å; L100-S104 PolarHBondContact O-N 3.44Å |
| 101 | A | 79.5 | Confident | 78 | Confident | 54 Ų | 54 | 70.3 Ų | 70.3 | 45% | 0.446 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | T97 W98 S104 M105 | T97-A101 WeakPolarHBondContact O-CB 3.09Å; T97-A101 PolarHBondContact O-N 2.76Å; W98-A101 PolarHBondContact O-N 3.01Å; A101-S104 WeakPolarHBondContact O-CB 3.34Å; A101-S104 PolarHBondContact O-N 3.33Å; A101-M105 WeakPolarHBondContact O-CB 3.38Å; A101-M105 PolarHBondContact O-N 3.03Å |
| 102 | G | 73.1 | Confident | 78.2 | Confident | 15 Ų | 15 | 71.2 Ų | 71.2 | 16% | 0.155 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -59.1 | -47 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | L47 W98 L99 L100 S104 M105 E106 | L47-G102 VanDerWaalsContact CD2-C 3.5Å; W98-G102 PolarHBondContact O-N 3.5Å; L99-G102 PolarHBondContact O-N 3.46Å; L100-G102 VanDerWaalsContact C-N 3.33Å; L100-G102 PolarHBondContact O-N 2.82Å; G102-S104 VanDerWaalsContact C-N 3.31Å; G102-S104 PolarHBondContact O-N 2.88Å; G102-M105 PolarHBondContact O-N 2.88Å; G102-E106 WeakPolarHBondContact O-CB 3.39Å; G102-E106 WeakPolarHBondContact O-CG 3.48Å; G102-E106 PolarHBondContact O-N 3.39Å |
| 103 | I | 79.4 | Confident | 78.1 | Confident | 16 Ų | 16 | 75.8 Ų | 75.8 | 8% | 0.082 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 177.6 | -66.9 | 161.7 | 0 | 0 | 0 | 110.9 | V44 L47 L48 L51 L99 L100 E106 R107 | V44-I103 HydrophobicContact CG2-CG2 4.26Å; L47-I103 HydrophobicContact CB-CG1 4.04Å; L47-I103 HydrophobicContact CD2-CB 4.42Å; L47-I103 HydrophobicContact CD2-CG1 3.69Å; L47-I103 HydrophobicContact CG-CD1 4.48Å; L47-I103 HydrophobicContact CG-CG1 3.71Å; L48-I103 HydrophobicContact CG-CD1 4.05Å; L51-I103 HydrophobicContact CD2-CD1 3.8Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.42Å; L99-I103 PolarHBondContact O-N 3.32Å; L100-I103 PolarHBondContact O-N 2.76Å; I103-E106 PolarHBondContact O-N 2.67Å; I103-R107 WeakPolarHBondContact O-CG 3.36Å; I103-R107 PolarHBondContact O-N 2.94Å |
| 104 | S | 80.1 | Confident | 77.5 | Confident | 78 Ų | 78 | 76.7 Ų | 76.7 | 55% | 0.545 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -61.7 | -46 | 177.2 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | L100 A101 G102 R107 Y108 | L100-S104 WeakPolarHBondContact O-CB 3.3Å; L100-S104 PolarHBondContact O-N 3.44Å; A101-S104 WeakPolarHBondContact O-CB 3.34Å; A101-S104 PolarHBondContact O-N 3.33Å; G102-S104 VanDerWaalsContact C-N 3.31Å; G102-S104 PolarHBondContact O-N 2.88Å; S104-R107 PolarHBondContact O-N 3.48Å; S104-Y108 WeakPolarHBondContact O-CB 3.39Å; S104-Y108 PolarHBondContact O-N 2.94Å |
| 105 | M | 77.4 | Confident | 76.9 | Confident | 117 Ų | 117 | 75.3 Ų | 75.3 | 58% | 0.576 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 178.6 | -170.6 | 164.3 | -174.3 | 0 | 0 | 112.2 | A101 G102 R107 Y108 L109 | A101-M105 WeakPolarHBondContact O-CB 3.38Å; A101-M105 PolarHBondContact O-N 3.03Å; G102-M105 PolarHBondContact O-N 2.88Å; M105-R107 VanDerWaalsContact C-N 3.34Å; M105-R107 PolarHBondContact O-N 3.01Å; M105-Y108 PolarHBondContact O-N 3.01Å; M105-L109 HydrophobicContact CE-CD1 4.4Å; M105-L109 HydrophobicContact CG-CD1 4.1Å; M105-L109 HydrophobicContact CG-CG 4.45Å; M105-L109 WeakPolarHBondContact O-CB 3.06Å; M105-L109 WeakPolarHBondContact O-CG 3.46Å; M105-L109 PolarHBondContact O-N 3.27Å |
| 106 | E | 72.6 | Confident | 76.2 | Confident | 34 Ų | 34 | 80.3 Ų | 80.3 | 16% | 0.159 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.8 | -43.6 | 175.6 | -71.2 | -71 | 94.2 | 0 | 0 | 111.4 | P43 L47 G102 I103 G110 Y117 | P43-E106 WeakPolarHBondContact CB-OE2 3.45Å; L47-E106 HydrophobicContact CD2-CG 4.14Å; G102-E106 WeakPolarHBondContact O-CB 3.39Å; G102-E106 WeakPolarHBondContact O-CG 3.48Å; G102-E106 PolarHBondContact O-N 3.39Å; I103-E106 PolarHBondContact O-N 2.67Å; E106-G110 PolarHBondContact O-N 3.23Å; E106-Y117 WeakPolarHBondContact CB-OH 3.3Å; E106-Y117 WeakPolarHBondContact OE1-CE2 3.38Å; E106-Y117 PolarHBondContact OE1-OH 2.86Å; E106-Y117 PolarHBondContact OE2-OH 3.26Å |
| 107 | R | 80.4 | Confident | 75.1 | Confident | 169 Ų | 169 | 82.1 Ų | 82.1 | 64% | 0.638 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65 | -42.2 | 175.3 | -76.5 | -178 | 175.2 | -100.1 | 2.2 | 112 | I103 S104 M105 G110 V111 | I103-R107 WeakPolarHBondContact O-CG 3.36Å; I103-R107 PolarHBondContact O-N 2.94Å; S104-R107 PolarHBondContact O-N 3.48Å; M105-R107 VanDerWaalsContact C-N 3.34Å; M105-R107 PolarHBondContact O-N 3.01Å; R107-G110 PolarHBondContact O-N 3.1Å; R107-V111 WeakPolarHBondContact O-CG2 3.38Å; R107-V111 PolarHBondContact O-N 2.72Å |
| 108 | Y | 80.5 | Confident | 74 | Confident | 156 Ų | 156 | 86.8 Ų | 86.8 | 61% | 0.612 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -62.2 | -48.8 | 178.4 | 178.5 | -99.6 | 0 | 0 | 0 | 111.4 | S104 M105 G110 V111 A112 | S104-Y108 WeakPolarHBondContact O-CB 3.39Å; S104-Y108 PolarHBondContact O-N 2.94Å; M105-Y108 PolarHBondContact O-N 3.01Å; Y108-G110 VanDerWaalsContact C-N 3.34Å; Y108-G110 PolarHBondContact O-N 2.98Å; Y108-V111 PolarHBondContact O-N 3.47Å; Y108-A112 HydrophobicContact CE1-CB 4.38Å; Y108-A112 WeakPolarHBondContact O-CB 3.46Å; Y108-A112 PolarHBondContact O-N 3.48Å |
| 109 | L | 74.4 | Confident | 73 | Confident | 49 Ų | 49 | 86.6 Ų | 86.6 | 26% | 0.257 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.1 | -37.6 | 178.2 | -70.2 | 171.6 | 0 | 0 | 0 | 112.4 | M105 V111 F113 Y117 | M105-L109 HydrophobicContact CE-CD1 4.4Å; M105-L109 HydrophobicContact CG-CD1 4.1Å; M105-L109 HydrophobicContact CG-CG 4.45Å; M105-L109 WeakPolarHBondContact O-CB 3.06Å; M105-L109 WeakPolarHBondContact O-CG 3.46Å; M105-L109 PolarHBondContact O-N 3.27Å; L109-V111 VanDerWaalsContact C-N 3.3Å; L109-V111 PolarHBondContact O-N 2.96Å; L109-F113 HydrophobicContact CD2-CD2 4.23Å; L109-F113 CarbonylContact O-C 3.37Å; L109-F113 WeakPolarHBondContact O-CA 3.39Å; L109-F113 PolarHBondContact O-N 3.49Å; L109-Y117 HydrophobicContact CB-CD2 3.47Å; L109-Y117 VanDerWaalsContact CB-CD2 3.47Å; L109-Y117 HydrophobicContact CB-CE2 3.78Å; L109-Y117 HydrophobicContact CB-CG 4.26Å; L109-Y117 HydrophobicContact CD1-CD2 4.16Å; L109-Y117 HydrophobicContact CD1-CE2 4.21Å; L109-Y117 HydrophobicContact CG-CD2 4.45Å |
| 110 | G | 74 | Confident | 71.9 | Confident | 31 Ų | 31 | 90.7 Ų | 90.7 | 32% | 0.32 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.1 | -31.8 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E106 R107 Y108 | E106-G110 PolarHBondContact O-N 3.23Å; R107-G110 PolarHBondContact O-N 3.1Å; Y108-G110 VanDerWaalsContact C-N 3.34Å; Y108-G110 PolarHBondContact O-N 2.98Å |
| 111 | V | 80.8 | Confident | 70.9 | Confident | 130 Ų | 130 | 92.7 Ų | 92.7 | 79% | 0.788 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -85 | -43.7 | 177.4 | 174.8 | 0 | 0 | 0 | 0 | 111.5 | R107 Y108 L109 | R107-V111 WeakPolarHBondContact O-CG2 3.38Å; R107-V111 PolarHBondContact O-N 2.72Å; Y108-V111 PolarHBondContact O-N 3.47Å; L109-V111 VanDerWaalsContact C-N 3.3Å; L109-V111 PolarHBondContact O-N 2.96Å |
| 112 | A | 82.9 | Confident | 70 | Confident | 42 Ų | 42 | 100.5 Ų | 100.5 | 35% | 0.347 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -80.5 | -34.8 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y108 | Y108-A112 HydrophobicContact CE1-CB 4.38Å; Y108-A112 WeakPolarHBondContact O-CB 3.46Å; Y108-A112 PolarHBondContact O-N 3.48Å |
| 113 | F | 77.4 | Confident | 69 | Low | 99 Ų | 99 | 104.6 Ų | 104.6 | 43% | 0.434 | 53% | 0.529 | S | S | . | . | trans | -136.9 | 65.6 | -172.6 | -60.2 | -76.4 | 0 | 0 | 0 | 113.1 | L109 V115 Q116 Y117 | L109-F113 HydrophobicContact CD2-CD2 4.23Å; L109-F113 CarbonylContact O-C 3.37Å; L109-F113 WeakPolarHBondContact O-CA 3.39Å; L109-F113 PolarHBondContact O-N 3.49Å; F113-V115 VanDerWaalsContact C-N 3.27Å; F113-V115 PolarHBondContact O-N 3.31Å; F113-V115 VanDerWaalsContact O-N 3.15Å; F113-Q116 PolarHBondContact O-N 3.35Å; F113-Y117 WeakPolarHBondContact O-CB 3.3Å; F113-Y117 PolarHBondContact O-N 3.49Å; F113-Y117 VanDerWaalsContact O-N 3.16Å | ||
| 114 | P | 69.6 | Low | 68 | Low | 88 Ų | 88 | 108.1 Ų | 108.1 | 57% | 0.571 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -61.4 | -28.6 | -172.5 | 22.9 | -33.8 | 0 | 0 | 0 | 114.6 | ||
| 115 | V | 65.9 | Low | 66.9 | Low | 117 Ų | 117 | 106.8 Ų | 106.8 | 71% | 0.709 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -83.3 | -44.7 | -177.1 | -178.9 | 0 | 0 | 0 | 0 | 112.4 | F113 | F113-V115 VanDerWaalsContact C-N 3.27Å; F113-V115 PolarHBondContact O-N 3.31Å; F113-V115 VanDerWaalsContact O-N 3.15Å |
| 116 | Q | 59.3 | Low | 65.7 | Low | 135 Ų | 135 | 103.6 Ų | 103.6 | 63% | 0.631 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73.3 | -32.6 | -178.8 | -70.1 | 174.5 | -14.9 | 0 | 0 | 112.2 | F113 K118 L119 S120 | F113-Q116 PolarHBondContact O-N 3.35Å; Q116-K118 VanDerWaalsContact C-N 3.28Å; Q116-K118 PolarHBondContact O-N 3.39Å; Q116-L119 PolarHBondContact O-N 3.48Å; Q116-S120 PolarHBondContact O-N 2.99Å |
| 117 | Y | 59 | Low | 65 | Low | 50 Ų | 50 | 105.7 Ų | 105.7 | 20% | 0.196 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -66.1 | -28.3 | -179.5 | -174.4 | -108.8 | 0 | 0 | 0 | 113.3 | E106 L109 F113 L119 S120 | E106-Y117 WeakPolarHBondContact CB-OH 3.3Å; E106-Y117 WeakPolarHBondContact OE1-CE2 3.38Å; E106-Y117 PolarHBondContact OE1-OH 2.86Å; E106-Y117 PolarHBondContact OE2-OH 3.26Å; L109-Y117 HydrophobicContact CB-CD2 3.47Å; L109-Y117 VanDerWaalsContact CB-CD2 3.47Å; L109-Y117 HydrophobicContact CB-CE2 3.78Å; L109-Y117 HydrophobicContact CB-CG 4.26Å; L109-Y117 HydrophobicContact CD1-CD2 4.16Å; L109-Y117 HydrophobicContact CD1-CE2 4.21Å; L109-Y117 HydrophobicContact CG-CD2 4.45Å; F113-Y117 WeakPolarHBondContact O-CB 3.3Å; F113-Y117 PolarHBondContact O-N 3.49Å; F113-Y117 VanDerWaalsContact O-N 3.16Å; Y117-L119 PolarHBondContact O-N 3.35Å; Y117-S120 PolarHBondContact O-N 3.47Å |
| 118 | K | 57.3 | Low | 64.1 | Low | 179 Ų | 179 | 99 Ų | 99 | 78% | 0.778 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -26 | 176.1 | -132.9 | -177.9 | -173.6 | -176.5 | 0 | 113.1 | Q116 | Q116-K118 VanDerWaalsContact C-N 3.28Å; Q116-K118 PolarHBondContact O-N 3.39Å |
| 119 | L | 54.5 | Low | 63.1 | Low | 152 Ų | 152 | 94.4 Ų | 94.4 | 80% | 0.796 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -26.9 | -179.6 | -85.7 | 123 | 0 | 0 | 0 | 113.7 | Q116 Y117 R121 | Q116-L119 PolarHBondContact O-N 3.48Å; Y117-L119 PolarHBondContact O-N 3.35Å; L119-R121 VanDerWaalsContact C-N 3.3Å; L119-R121 PolarHBondContact O-N 2.86Å |
| 120 | S | 53 | Low | 62.3 | Low | 95 Ų | 95 | 94.6 Ų | 94.6 | 66% | 0.664 | 52% | 0.522 | S | S | * | . | trans | -90.6 | 35.6 | -173.9 | -156.5 | 0 | 0 | 0 | 0 | 114 | Q116 Y117 R122 | Q116-S120 PolarHBondContact O-N 2.99Å; Y117-S120 PolarHBondContact O-N 3.47Å; S120-R122 PolarHBondContact O-N 3.36Å; S120-R122 VanDerWaalsContact O-N 3.08Å | ||
| 121 | R | 57.6 | Low | 61.8 | Low | 141 Ų | 141 | 97.7 Ų | 97.7 | 53% | 0.532 | 53% | 0.531 | S | S | . | . | trans | -80.9 | 74.7 | 175.3 | -77.3 | -170.2 | 170.7 | -153.2 | 2.6 | 110.7 | P41 P43 L119 | P41-R121 PolarHBondContact O-NH1 3.41Å; P43-R121 HydrophobicContact CG-CG 4.13Å; L119-R121 VanDerWaalsContact C-N 3.3Å; L119-R121 PolarHBondContact O-N 2.86Å | ||
| 122 | R | 60.5 | Low | 61.1 | Low | 218 Ų | 218 | 92.9 Ų | 92.9 | 82% | 0.823 | 50% | 0.502 | S | S | * | . | trans | -141.5 | 176.7 | 174.9 | -61.5 | -157.2 | -179.5 | -144.4 | 5.3 | 113.8 | S120 L124 | S120-R122 PolarHBondContact O-N 3.36Å; S120-R122 VanDerWaalsContact O-N 3.08Å; R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 2.92Å | ||
| 123 | P | 51.5 | Low | 59.9 | Low | 101 Ų | 101 | 93 Ų | 93 | 66% | 0.656 | 50% | 0.503 | S | S | * | . | -88.9 | 45.3 | -115.9 | 32.8 | -9.1 | 0 | 0 | 0 | 112.4 | Y125 G126 V127 | P123-Y125 PolarHBondContact O-N 2.75Å; P123-G126 PolarHBondContact O-N 2.91Å; P123-V127 PolarHBondContact O-N 3.5Å | |||
| 124 | L | 58.8 | Low | 59.2 | Low | 89 Ų | 89 | 96.6 Ų | 96.6 | 47% | 0.466 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.6 | -32.3 | -171.6 | -163.3 | 71.5 | 0 | 0 | 0 | 112.5 | R122 G126 V127 I128 | R122-L124 VanDerWaalsContact C-N 3.3Å; R122-L124 PolarHBondContact O-N 2.92Å; L124-G126 PolarHBondContact O-N 2.71Å; L124-V127 PolarHBondContact O-N 3.33Å; L124-I128 HydrophobicContact CD2-CD1 4.03Å; L124-I128 HydrophobicContact CG-CD1 3.73Å; L124-I128 HydrophobicContact CG-CG1 4.28Å; L124-I128 WeakPolarHBondContact O-CB 3.33Å; L124-I128 VanDerWaalsContact O-CG1 3.23Å; L124-I128 WeakPolarHBondContact O-CG1 3.49Å; L124-I128 PolarHBondContact O-N 3.37Å |
| 125 | Y | 57.1 | Low | 59 | Low | 50 Ų | 50 | 98 Ų | 98 | 20% | 0.196 | 52% | 0.515 | C | S | . | . | H | α-helix | trans | -66 | -36.6 | -179.9 | -52 | -40.5 | 0 | 0 | 0 | 113.6 | P43 I46 L47 P123 A129 | P43-Y125 PolarHBondContact O-OH 3.08Å; I46-Y125 HydrophobicContact CB-CE2 4.29Å; I46-Y125 HydrophobicContact CG2-CD2 4.08Å; I46-Y125 HydrophobicContact CG2-CE2 4.24Å; L47-Y125 HydrophobicContact CB-CE1 4.16Å; L47-Y125 HydrophobicContact CD1-CD1 3.24Å; L47-Y125 HydrophobicContact CD1-CE1 2.89Å; L47-Y125 HydrophobicContact CD1-CG 4.29Å; L47-Y125 HydrophobicContact CD2-CE1 3.64Å; L47-Y125 WeakPolarHBondContact CD2-OH 3.3Å; L47-Y125 HydrophobicContact CG-CD1 4.45Å; L47-Y125 HydrophobicContact CG-CE1 3.7Å; P123-Y125 PolarHBondContact O-N 2.75Å; Y125-A129 VanDerWaalsContact O-CB 3.26Å; Y125-A129 WeakPolarHBondContact O-CB 3.3Å; Y125-A129 PolarHBondContact O-N 3.39Å |
| 126 | G | 52.7 | Low | 58.8 | Low | 50 Ų | 50 | 95.2 Ų | 95.2 | 52% | 0.515 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.8 | -38 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P123 L124 A130 | P123-G126 PolarHBondContact O-N 2.91Å; L124-G126 PolarHBondContact O-N 2.71Å; G126-A130 WeakPolarHBondContact O-CB 3.21Å; G126-A130 PolarHBondContact O-N 3.02Å |
| 127 | V | 57.7 | Low | 58.5 | Low | 78 Ų | 78 | 92.9 Ų | 92.9 | 47% | 0.473 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.4 | -41 | 176.5 | 178.5 | 0 | 0 | 0 | 0 | 111.2 | P123 L124 A130 L131 | P123-V127 PolarHBondContact O-N 3.5Å; L124-V127 PolarHBondContact O-N 3.33Å; V127-A130 PolarHBondContact O-N 3.33Å; V127-L131 HydrophobicContact CG1-CD1 4.01Å; V127-L131 WeakPolarHBondContact O-CB 3.39Å; V127-L131 WeakPolarHBondContact O-CG 3.16Å; V127-L131 PolarHBondContact O-N 3.47Å |
| 128 | I | 62.3 | Low | 58.5 | Low | 29 Ų | 29 | 97.3 Ų | 97.3 | 15% | 0.149 | 51% | 0.514 | C | S | . | . | H | α-helix | trans | -68.1 | -45.5 | 176.8 | -67.9 | 167.9 | 0 | 0 | 0 | 110.6 | L124 A130 L131 V132 | L124-I128 HydrophobicContact CD2-CD1 4.03Å; L124-I128 HydrophobicContact CG-CD1 3.73Å; L124-I128 HydrophobicContact CG-CG1 4.28Å; L124-I128 WeakPolarHBondContact O-CB 3.33Å; L124-I128 VanDerWaalsContact O-CG1 3.23Å; L124-I128 WeakPolarHBondContact O-CG1 3.49Å; L124-I128 PolarHBondContact O-N 3.37Å; I128-A130 VanDerWaalsContact C-N 3.29Å; I128-A130 PolarHBondContact O-N 2.88Å; I128-L131 PolarHBondContact O-N 3.02Å; I128-V132 HydrophobicContact CG2-CG2 4.29Å; I128-V132 WeakPolarHBondContact O-CB 3.34Å; I128-V132 VanDerWaalsContact O-CG2 3.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.2Å; I128-V132 PolarHBondContact O-N 3.02Å |
| 129 | A | 58.6 | Low | 58.5 | Low | 60 Ų | 60 | 91.3 Ų | 91.3 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y125 A133 | Y125-A129 VanDerWaalsContact O-CB 3.26Å; Y125-A129 WeakPolarHBondContact O-CB 3.3Å; Y125-A129 PolarHBondContact O-N 3.39Å; A129-A133 VanDerWaalsContact O-CB 3.31Å; A129-A133 WeakPolarHBondContact O-CB 3.23Å; A129-A133 PolarHBondContact O-N 3.29Å |
| 130 | A | 57 | Low | 58.3 | Low | 52 Ų | 52 | 89.1 Ų | 89.1 | 43% | 0.43 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | G126 V127 I128 A133 W134 | G126-A130 WeakPolarHBondContact O-CB 3.21Å; G126-A130 PolarHBondContact O-N 3.02Å; V127-A130 PolarHBondContact O-N 3.33Å; I128-A130 VanDerWaalsContact C-N 3.29Å; I128-A130 PolarHBondContact O-N 2.88Å; A130-A133 PolarHBondContact O-N 2.93Å; A130-W134 VanDerWaalsContact O-CB 3.3Å; A130-W134 WeakPolarHBondContact O-CB 3.38Å; A130-W134 PolarHBondContact O-N 3.47Å |
| 131 | L | 64 | Low | 58 | Low | 97 Ų | 97 | 90 Ų | 90 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.4 | -43.2 | 174.4 | -82.9 | 166.3 | 0 | 0 | 0 | 111.7 | V127 I128 W134 I135 | V127-L131 HydrophobicContact CG1-CD1 4.01Å; V127-L131 WeakPolarHBondContact O-CB 3.39Å; V127-L131 WeakPolarHBondContact O-CG 3.16Å; V127-L131 PolarHBondContact O-N 3.47Å; I128-L131 PolarHBondContact O-N 3.02Å; L131-W134 WeakPolarHBondContact O-CB 3.48Å; L131-W134 PolarHBondContact O-N 3.48Å; L131-I135 WeakPolarHBondContact O-CB 3.37Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.38Å; L131-I135 PolarHBondContact O-N 3.3Å |
| 132 | V | 66.3 | Low | 57.2 | Low | 29 Ų | 29 | 92.8 Ų | 92.8 | 18% | 0.176 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -63.4 | -48.2 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 109.8 | I128 W134 I135 M136 | I128-V132 HydrophobicContact CG2-CG2 4.29Å; I128-V132 WeakPolarHBondContact O-CB 3.34Å; I128-V132 VanDerWaalsContact O-CG2 3.25Å; I128-V132 WeakPolarHBondContact O-CG2 3.2Å; I128-V132 PolarHBondContact O-N 3.02Å; V132-W134 VanDerWaalsContact C-N 3.28Å; V132-W134 PolarHBondContact O-N 3.33Å; V132-I135 PolarHBondContact O-N 3.18Å; V132-M136 HydrophobicContact CG1-CE 4.15Å; V132-M136 HydrophobicContact CG1-CG 4.35Å; V132-M136 HydrophobicContact CG1-SD 4.45Å; V132-M136 WeakPolarHBondContact O-CB 3.31Å; V132-M136 WeakPolarHBondContact O-CG 3.44Å; V132-M136 PolarHBondContact O-N 3.13Å |
| 133 | A | 58.7 | Low | 57.1 | Low | 44 Ų | 44 | 86.6 Ų | 86.6 | 36% | 0.364 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -35.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A129 A130 S137 | A129-A133 VanDerWaalsContact O-CB 3.31Å; A129-A133 WeakPolarHBondContact O-CB 3.23Å; A129-A133 PolarHBondContact O-N 3.29Å; A130-A133 PolarHBondContact O-N 2.93Å; A133-S137 WeakPolarHBondContact O-CB 3.47Å; A133-S137 PolarHBondContact O-N 3.41Å; A133-S137 PolarHBondContact O-OG 2.99Å |
| 134 | W | 61.9 | Low | 57.4 | Low | 174 Ų | 174 | 85.8 Ų | 85.8 | 66% | 0.659 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67 | -53.4 | 175.2 | -108.7 | 64.8 | 0 | 0 | 0 | 112.3 | A130 L131 V132 M136 S137 F138 | A130-W134 VanDerWaalsContact O-CB 3.3Å; A130-W134 WeakPolarHBondContact O-CB 3.38Å; A130-W134 PolarHBondContact O-N 3.47Å; L131-W134 WeakPolarHBondContact O-CB 3.48Å; L131-W134 PolarHBondContact O-N 3.48Å; V132-W134 VanDerWaalsContact C-N 3.28Å; V132-W134 PolarHBondContact O-N 3.33Å; W134-M136 PolarHBondContact O-N 2.98Å; W134-S137 PolarHBondContact O-N 3.4Å; W134-F138 HydrophobicContact CD2-CE2 4.07Å; W134-F138 AromaticContact CE3-CD2 3.99Å; W134-F138 HydrophobicContact CE3-CD2 3.99Å; W134-F138 AromaticContact CE3-CE2 3.57Å; W134-F138 HydrophobicContact CE3-CE2 3.57Å; W134-F138 HydrophobicContact CH2-CE2 4.12Å; W134-F138 HydrophobicContact CZ3-CD2 4.35Å; W134-F138 AromaticContact CZ3-CE2 3.6Å; W134-F138 HydrophobicContact CZ3-CE2 3.6Å; W134-F138 HydrophobicContact CZ3-CZ 4.27Å; W134-F138 WeakPolarHBondContact O-CD2 3.25Å; W134-F138 PolarHBondContact O-N 3.12Å; W134-F138 VanDerWaalsContact O-N 3.14Å |
| 135 | I | 66.2 | Low | 57.3 | Low | 118 Ų | 118 | 85.6 Ų | 85.6 | 61% | 0.605 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.7 | -38.6 | 179.2 | -66.8 | 166 | 0 | 0 | 0 | 110.2 | L131 V132 S137 F138 G139 | L131-I135 WeakPolarHBondContact O-CB 3.37Å; L131-I135 VanDerWaalsContact O-CG1 3.25Å; L131-I135 WeakPolarHBondContact O-CG1 3.38Å; L131-I135 PolarHBondContact O-N 3.3Å; V132-I135 PolarHBondContact O-N 3.18Å; I135-S137 VanDerWaalsContact C-N 3.35Å; I135-S137 PolarHBondContact O-N 3.44Å; I135-F138 PolarHBondContact O-N 3.02Å; I135-G139 PolarHBondContact O-N 3.14Å |
| 136 | M | 60.1 | Low | 57.3 | Low | 59 Ų | 59 | 87.7 Ų | 87.7 | 29% | 0.291 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -39 | 173 | -85.7 | -150.3 | -54.4 | 0 | 0 | 113.7 | F87 S91 V132 W134 | F87-M136 HydrophobicContact CD1-SD 4.47Å; F87-M136 HydrophobicContact CE1-CB 4.33Å; F87-M136 HydrophobicContact CE1-CG 4.02Å; F87-M136 HydrophobicContact CE1-SD 3.38Å; F87-M136 WeakPolarHBondContact CE1-SD 3.21Å; F87-M136 HydrophobicContact CE2-CB 4.19Å; F87-M136 HydrophobicContact CE2-CG 4.04Å; F87-M136 HydrophobicContact CE2-SD 4.44Å; F87-M136 HydrophobicContact CZ-CB 3.45Å; F87-M136 VanDerWaalsContact CZ-CB 3.45Å; F87-M136 HydrophobicContact CZ-CG 3.36Å; F87-M136 WeakPolarHBondContact CZ-O 3.44Å; F87-M136 HydrophobicContact CZ-SD 3.41Å; F87-M136 WeakPolarHBondContact CZ-SD 3.45Å; S91-M136 PolarHBondContact OG-SD 2.97Å; V132-M136 HydrophobicContact CG1-CE 4.15Å; V132-M136 HydrophobicContact CG1-CG 4.35Å; V132-M136 HydrophobicContact CG1-SD 4.45Å; V132-M136 WeakPolarHBondContact O-CB 3.31Å; V132-M136 WeakPolarHBondContact O-CG 3.44Å; V132-M136 PolarHBondContact O-N 3.13Å; W134-M136 PolarHBondContact O-N 2.98Å |
| 137 | S | 54.3 | Low | 57.6 | Low | 85 Ų | 85 | 90.1 Ų | 90.1 | 59% | 0.594 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.3 | -31.9 | -179.6 | -60.8 | 0 | 0 | 0 | 0 | 112.7 | A133 W134 I135 | A133-S137 WeakPolarHBondContact O-CB 3.47Å; A133-S137 PolarHBondContact O-N 3.41Å; A133-S137 PolarHBondContact O-OG 2.99Å; W134-S137 PolarHBondContact O-N 3.4Å; I135-S137 VanDerWaalsContact C-N 3.35Å; I135-S137 PolarHBondContact O-N 3.44Å |
| 138 | F | 58.5 | Low | 57.6 | Low | 143 Ų | 143 | 90.9 Ų | 90.9 | 63% | 0.627 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -89 | -22.4 | -178.8 | -77.9 | -76.5 | 0 | 0 | 0 | 114.1 | W134 I135 H140 | W134-F138 HydrophobicContact CD2-CE2 4.07Å; W134-F138 AromaticContact CE3-CD2 3.99Å; W134-F138 HydrophobicContact CE3-CD2 3.99Å; W134-F138 AromaticContact CE3-CE2 3.57Å; W134-F138 HydrophobicContact CE3-CE2 3.57Å; W134-F138 HydrophobicContact CH2-CE2 4.12Å; W134-F138 HydrophobicContact CZ3-CD2 4.35Å; W134-F138 AromaticContact CZ3-CE2 3.6Å; W134-F138 HydrophobicContact CZ3-CE2 3.6Å; W134-F138 HydrophobicContact CZ3-CZ 4.27Å; W134-F138 WeakPolarHBondContact O-CD2 3.25Å; W134-F138 PolarHBondContact O-N 3.12Å; W134-F138 VanDerWaalsContact O-N 3.14Å; I135-F138 PolarHBondContact O-N 3.02Å; F138-H140 VanDerWaalsContact C-N 3.35Å; F138-H140 PolarHBondContact O-N 2.94Å |
| 139 | G | 56.4 | Low | 57.2 | Low | 53 Ų | 53 | 95.3 Ų | 95.3 | 55% | 0.546 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -7.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | I135 | I135-G139 PolarHBondContact O-N 3.14Š|
| 140 | H | 51.3 | Low | 57.1 | Low | 107 Ų | 107 | 98 Ų | 98 | 50% | 0.495 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.7 | 15.3 | -172.9 | -147.8 | -99.9 | 0 | 0 | 0 | 113.6 | F87 F138 | F87-H140 AromaticContact CD2-CD2 3.84Å; F138-H140 VanDerWaalsContact C-N 3.35Å; F138-H140 PolarHBondContact O-N 2.94Å |
| 141 | C | 45.7 | Very low | 57.1 | Low | 114 Ų | 114 | 101.8 Ų | 101.8 | 77% | 0.77 | 57% | 0.571 | S | S | * | * | trans | -121.1 | 58.5 | 170.7 | -80.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 142 | T | 42.2 | Very low | 56.5 | Low | 199 Ų | 199 | 102.3 Ų | 102.3 | 100% | 1.221 | 58% | 0.577 | S | S | * | * | trans | -150.9 | 0 | 159.7 | 46.3 | 0 | 0 | 0 | 0 | 109.7 |
Retrieved 142 of 142 residues in 389.4 ms
(Link to these results)