| 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 | 61.8 | Low | 74.5 | Confident | 215 Ų | 215 | 129 Ų | 129 | 100% | 1.059 | 62% | 0.624 | S | S | * | * | 0 | -24 | 0 | -72.8 | -164 | 173.3 | 0 | 0 | 114.2 | H3 F4 | M1-H3 VanDerWaalsContact C-N 3.35Å; M1-H3 PolarHBondContact O-N 3.38Å; M1-F4 PolarHBondContact O-N 3.31Å | |||
| 2 | L | 63.5 | Low | 75.2 | Confident | 142 Ų | 142 | 124.6 Ų | 124.6 | 74% | 0.743 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -58 | -37.9 | -179.4 | -134.3 | 86.7 | 0 | 0 | 0 | 114.8 | F4 Q5 T6 | L2-F4 PolarHBondContact O-N 3.42Å; L2-Q5 PolarHBondContact O-N 3.25Å; L2-T6 PolarHBondContact O-N 3.06Å |
| 3 | H | 65.3 | Low | 75.8 | Confident | 155 Ų | 155 | 124.2 Ų | 124.2 | 72% | 0.718 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -67.2 | -30.5 | -177.1 | -69 | -69.9 | 0 | 0 | 0 | 114.5 | M1 T6 V7 | M1-H3 VanDerWaalsContact C-N 3.35Å; M1-H3 PolarHBondContact O-N 3.38Å; H3-T6 PolarHBondContact O-OG1 3.34Å; H3-T6 VanDerWaalsContact O-OG1 3.05Å; H3-V7 WeakPolarHBondContact O-CG2 3.48Å; H3-V7 PolarHBondContact O-N 3.06Å |
| 4 | F | 70.7 | Confident | 76.4 | Confident | 177 Ų | 177 | 121.6 Ų | 121.6 | 78% | 0.776 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -71.1 | -36.7 | 177.8 | -87.1 | -82.3 | 0 | 0 | 0 | 111.6 | M1 L2 F8 | M1-F4 PolarHBondContact O-N 3.31Å; L2-F4 PolarHBondContact O-N 3.42Å; F4-F8 WeakPolarHBondContact O-CB 3.19Å; F4-F8 PolarHBondContact O-N 3.05Å |
| 5 | Q | 75.9 | Confident | 76.8 | Confident | 121 Ų | 121 | 119.3 Ų | 119.3 | 57% | 0.565 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.8 | -41.1 | -179.4 | -166.4 | 160.3 | -1.3 | 0 | 0 | 111.4 | L2 F8 W9 | L2-Q5 PolarHBondContact O-N 3.25Å; Q5-F8 PolarHBondContact O-N 3.37Å; Q5-W9 PolarHBondContact O-N 3.48Å; Q5-W9 VanDerWaalsContact O-N 3.16Å |
| 6 | T | 77 | Confident | 77 | Confident | 73 Ų | 73 | 116.1 Ų | 116.1 | 45% | 0.448 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -65.1 | -40.7 | 176.2 | 55.4 | 0 | 0 | 0 | 0 | 112.3 | L2 H3 F8 W9 V10 | L2-T6 PolarHBondContact O-N 3.06Å; H3-T6 PolarHBondContact O-OG1 3.34Å; H3-T6 VanDerWaalsContact O-OG1 3.05Å; T6-F8 VanDerWaalsContact C-N 3.34Å; T6-F8 PolarHBondContact O-N 3.29Å; T6-W9 PolarHBondContact O-N 3.16Å; T6-V10 VanDerWaalsContact O-CG2 3.31Å; T6-V10 WeakPolarHBondContact O-CG2 3.31Å; T6-V10 PolarHBondContact O-N 3.37Å |
| 7 | V | 78.2 | Confident | 77.2 | Confident | 77 Ų | 77 | 116.5 Ų | 116.5 | 47% | 0.467 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -63.5 | -40.6 | 176.8 | 173.2 | 0 | 0 | 0 | 0 | 111.4 | H3 W9 V10 Q11 | H3-V7 WeakPolarHBondContact O-CG2 3.48Å; H3-V7 PolarHBondContact O-N 3.06Å; V7-W9 PolarHBondContact O-N 2.67Å; V7-V10 PolarHBondContact O-N 3.42Å; V7-Q11 WeakPolarHBondContact O-CG 3.21Å; V7-Q11 PolarHBondContact O-N 2.84Å |
| 8 | F | 81.1 | Confident | 77.4 | Confident | 120 Ų | 120 | 117.9 Ų | 117.9 | 53% | 0.526 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.7 | -45.1 | 176.6 | -178.1 | -100.7 | 0 | 0 | 0 | 112.3 | F4 Q5 T6 V10 Q11 L12 | F4-F8 WeakPolarHBondContact O-CB 3.19Å; F4-F8 PolarHBondContact O-N 3.05Å; Q5-F8 PolarHBondContact O-N 3.37Å; T6-F8 VanDerWaalsContact C-N 3.34Å; T6-F8 PolarHBondContact O-N 3.29Å; F8-V10 PolarHBondContact O-N 3.25Å; F8-Q11 PolarHBondContact O-N 3.05Å; F8-L12 HydrophobicContact CD1-CD1 3.86Å; F8-L12 HydrophobicContact CE1-CD1 3.33Å; F8-L12 HydrophobicContact CE1-CG 4.23Å; F8-L12 HydrophobicContact CZ-CD1 3.82Å; F8-L12 HydrophobicContact CZ-CG 4.35Å; F8-L12 PolarHBondContact O-N 3.37Å |
| 9 | W | 80.5 | Confident | 77.3 | Confident | 149 Ų | 149 | 120.2 Ų | 120.2 | 56% | 0.564 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.9 | -39.5 | 176.9 | -71 | 117.1 | 0 | 0 | 0 | 112.8 | Q5 T6 V7 Q11 L12 L13 | Q5-W9 PolarHBondContact O-N 3.48Å; Q5-W9 VanDerWaalsContact O-N 3.16Å; T6-W9 PolarHBondContact O-N 3.16Å; V7-W9 PolarHBondContact O-N 2.67Å; W9-Q11 VanDerWaalsContact C-N 3.35Å; W9-L12 HydrophobicContact CE3-CD1 4.03Å; W9-L12 HydrophobicContact CZ3-CD1 4.18Å; W9-L12 PolarHBondContact O-N 2.85Å; W9-L13 WeakPolarHBondContact O-CG 3.11Å; W9-L13 PolarHBondContact O-N 3.29Å |
| 10 | V | 83.2 | Confident | 77.2 | Confident | 79 Ų | 79 | 117.7 Ų | 117.7 | 48% | 0.479 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.6 | -42 | 176.6 | 172.5 | 0 | 0 | 0 | 0 | 111 | T6 V7 F8 L13 I14 | T6-V10 VanDerWaalsContact O-CG2 3.31Å; T6-V10 WeakPolarHBondContact O-CG2 3.31Å; T6-V10 PolarHBondContact O-N 3.37Å; V7-V10 PolarHBondContact O-N 3.42Å; F8-V10 PolarHBondContact O-N 3.25Å; V10-L13 PolarHBondContact O-N 2.94Å; V10-I14 HydrophobicContact CG1-CD1 3.84Å; V10-I14 HydrophobicContact CG1-CG1 4.48Å; V10-I14 VanDerWaalsContact O-CG1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 3.39Å; V10-I14 PolarHBondContact O-N 3.39Å |
| 11 | Q | 81.8 | Confident | 77 | Confident | 111 Ų | 111 | 117.5 Ų | 117.5 | 52% | 0.519 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.4 | -43.1 | 176.2 | -73.2 | -176.9 | -7.7 | 0 | 0 | 112 | V7 F8 W9 L13 I14 I15 | V7-Q11 WeakPolarHBondContact O-CG 3.21Å; V7-Q11 PolarHBondContact O-N 2.84Å; F8-Q11 PolarHBondContact O-N 3.05Å; W9-Q11 VanDerWaalsContact C-N 3.35Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.43Å; Q11-I14 PolarHBondContact O-N 2.64Å; Q11-I15 WeakPolarHBondContact O-CB 3.38Å; Q11-I15 WeakPolarHBondContact O-CG1 3.2Å; Q11-I15 PolarHBondContact O-N 3Å |
| 12 | L | 82.9 | Confident | 77.4 | Confident | 76 Ų | 76 | 114.2 Ų | 114.2 | 40% | 0.398 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -59.5 | -42.8 | 175.1 | -83.4 | 172.2 | 0 | 0 | 0 | 112.3 | F8 W9 I15 S16 | F8-L12 HydrophobicContact CD1-CD1 3.86Å; F8-L12 HydrophobicContact CE1-CD1 3.33Å; F8-L12 HydrophobicContact CE1-CG 4.23Å; F8-L12 HydrophobicContact CZ-CD1 3.82Å; F8-L12 HydrophobicContact CZ-CG 4.35Å; F8-L12 PolarHBondContact O-N 3.37Å; W9-L12 HydrophobicContact CE3-CD1 4.03Å; W9-L12 HydrophobicContact CZ3-CD1 4.18Å; W9-L12 PolarHBondContact O-N 2.85Å; L12-I15 PolarHBondContact O-N 3.32Å; L12-S16 WeakPolarHBondContact O-CB 3.35Å; L12-S16 PolarHBondContact O-N 3.35Å |
| 13 | L | 83.5 | Confident | 77.6 | Confident | 120 Ų | 120 | 111.1 Ų | 111.1 | 63% | 0.628 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 177.2 | -72.4 | 173.7 | 0 | 0 | 0 | 111.7 | W9 V10 Q11 I15 S16 L17 | W9-L13 WeakPolarHBondContact O-CG 3.11Å; W9-L13 PolarHBondContact O-N 3.29Å; V10-L13 PolarHBondContact O-N 2.94Å; Q11-L13 VanDerWaalsContact C-N 3.33Å; Q11-L13 PolarHBondContact O-N 3.43Å; L13-I15 PolarHBondContact O-N 3.43Å; L13-S16 PolarHBondContact O-N 3.5Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.99Å |
| 14 | I | 84 | Confident | 77.6 | Confident | 88 Ų | 88 | 109.1 Ų | 109.1 | 45% | 0.451 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -60.4 | -48 | 177.4 | -68.7 | 166.9 | 0 | 0 | 0 | 110.3 | V10 Q11 S16 L17 F18 | V10-I14 HydrophobicContact CG1-CD1 3.84Å; V10-I14 HydrophobicContact CG1-CG1 4.48Å; V10-I14 VanDerWaalsContact O-CG1 3.3Å; V10-I14 WeakPolarHBondContact O-CG1 3.39Å; V10-I14 PolarHBondContact O-N 3.39Å; Q11-I14 PolarHBondContact O-N 2.64Å; I14-S16 PolarHBondContact O-N 3.32Å; I14-L17 PolarHBondContact O-N 3.5Å; I14-F18 HydrophobicContact CG2-CD2 3.65Å; I14-F18 HydrophobicContact CG2-CE2 3.69Å; I14-F18 VanDerWaalsContact O-CD2 3.32Å; I14-F18 WeakPolarHBondContact O-CD2 3.44Å; I14-F18 PolarHBondContact O-N 3.35Å |
| 15 | I | 82.4 | Confident | 77.3 | Confident | 86 Ų | 86 | 105 Ų | 105 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.7 | -46.9 | 179.1 | -68.9 | 167.5 | 0 | 0 | 0 | 110.5 | Q11 L12 L13 L17 F18 Y19 | Q11-I15 WeakPolarHBondContact O-CB 3.38Å; Q11-I15 WeakPolarHBondContact O-CG1 3.2Å; Q11-I15 PolarHBondContact O-N 3Å; L12-I15 PolarHBondContact O-N 3.32Å; L13-I15 PolarHBondContact O-N 3.43Å; I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 PolarHBondContact O-N 3.34Å; I15-F18 PolarHBondContact O-N 3.04Å; I15-Y19 HydrophobicContact CG2-CD2 3.56Å; I15-Y19 HydrophobicContact CG2-CE2 3.36Å; I15-Y19 WeakPolarHBondContact O-CD2 3.35Å; I15-Y19 PolarHBondContact O-N 3.26Å |
| 16 | S | 80.8 | Confident | 76.6 | Confident | 69 Ų | 69 | 103.4 Ų | 103.4 | 48% | 0.483 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -56.6 | -44.1 | 176.3 | -172.5 | 0 | 0 | 0 | 0 | 111.7 | L12 L13 I14 Y19 T20 | L12-S16 WeakPolarHBondContact O-CB 3.35Å; L12-S16 PolarHBondContact O-N 3.35Å; L13-S16 PolarHBondContact O-N 3.5Å; I14-S16 PolarHBondContact O-N 3.32Å; S16-Y19 PolarHBondContact O-N 3Å; S16-T20 WeakPolarHBondContact O-CG2 3.39Å; S16-T20 PolarHBondContact O-N 3.5Å; S16-T20 PolarHBondContact O-OG1 2.71Å |
| 17 | L | 80.5 | Confident | 75.3 | Confident | 123 Ų | 123 | 105.6 Ų | 105.6 | 64% | 0.644 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.8 | -40.5 | -178.4 | -144.6 | 146.9 | 0 | 0 | 0 | 111.4 | L13 I14 I15 T20 H21 | L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 2.99Å; I14-L17 PolarHBondContact O-N 3.5Å; I15-L17 VanDerWaalsContact C-N 3.29Å; I15-L17 PolarHBondContact O-N 3.34Å; L17-T20 WeakPolarHBondContact CA-OG1 3.44Å; L17-T20 PolarHBondContact O-N 3.43Å; L17-T20 PolarHBondContact O-OG1 3.27Å; L17-H21 WeakPolarHBondContact O-CB 3.36Å; L17-H21 PolarHBondContact O-N 3.44Å |
| 18 | F | 79.2 | Confident | 74.1 | Confident | 142 Ų | 142 | 106.5 Ų | 106.5 | 62% | 0.623 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.6 | -42.3 | 173.2 | -92.2 | -78.5 | 0 | 0 | 0 | 112.8 | I14 I15 H21 K22 | I14-F18 HydrophobicContact CG2-CD2 3.65Å; I14-F18 HydrophobicContact CG2-CE2 3.69Å; I14-F18 VanDerWaalsContact O-CD2 3.32Å; I14-F18 WeakPolarHBondContact O-CD2 3.44Å; I14-F18 PolarHBondContact O-N 3.35Å; I15-F18 PolarHBondContact O-N 3.04Å; F18-H21 PolarHBondContact O-N 3.49Å; F18-K22 PolarHBondContact O-N 2.89Å |
| 19 | Y | 76.6 | Confident | 72.8 | Confident | 160 Ų | 160 | 108.4 Ų | 108.4 | 63% | 0.627 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.9 | -45.8 | 175.8 | -82.4 | -68.7 | 0 | 0 | 0 | 111.4 | I15 S16 H21 K22 V23 | I15-Y19 HydrophobicContact CG2-CD2 3.56Å; I15-Y19 HydrophobicContact CG2-CE2 3.36Å; I15-Y19 WeakPolarHBondContact O-CD2 3.35Å; I15-Y19 PolarHBondContact O-N 3.26Å; S16-Y19 PolarHBondContact O-N 3Å; Y19-H21 VanDerWaalsContact C-N 3.32Å; Y19-H21 PolarHBondContact O-N 3.26Å; Y19-K22 PolarHBondContact O-N 3.04Å; Y19-V23 VanDerWaalsContact O-CG2 3.32Å; Y19-V23 WeakPolarHBondContact O-CG2 3.4Å; Y19-V23 PolarHBondContact O-N 3.1Å |
| 20 | T | 75.2 | Confident | 71.3 | Confident | 70 Ų | 70 | 103.2 Ų | 103.2 | 43% | 0.429 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -60.8 | -42 | 176.8 | 49.3 | 0 | 0 | 0 | 0 | 112 | S16 L17 V23 I24 | S16-T20 WeakPolarHBondContact O-CG2 3.39Å; S16-T20 PolarHBondContact O-N 3.5Å; S16-T20 PolarHBondContact O-OG1 2.71Å; L17-T20 WeakPolarHBondContact CA-OG1 3.44Å; L17-T20 PolarHBondContact O-N 3.43Å; L17-T20 PolarHBondContact O-OG1 3.27Å; T20-V23 PolarHBondContact O-N 3.24Å; T20-I24 WeakPolarHBondContact O-CD1 3.25Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 2.87Å; T20-I24 PolarHBondContact O-N 3.38Å |
| 21 | H | 72.3 | Confident | 69.8 | Low | 114 Ų | 114 | 108.2 Ų | 108.2 | 53% | 0.528 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.6 | -44.9 | 177.3 | -175 | -87.3 | 0 | 0 | 0 | 111.3 | L17 F18 Y19 V23 I24 T25 | L17-H21 WeakPolarHBondContact O-CB 3.36Å; L17-H21 PolarHBondContact O-N 3.44Å; F18-H21 PolarHBondContact O-N 3.49Å; Y19-H21 VanDerWaalsContact C-N 3.32Å; Y19-H21 PolarHBondContact O-N 3.26Å; H21-V23 VanDerWaalsContact C-N 3.34Å; H21-V23 PolarHBondContact O-N 2.96Å; H21-I24 PolarHBondContact O-N 2.98Å; H21-T25 VanDerWaalsContact CE1-CG2 3.41Å; H21-T25 WeakPolarHBondContact CE1-CG2 3.41Å; H21-T25 WeakPolarHBondContact O-CG2 3.43Å; H21-T25 PolarHBondContact O-N 3.32Å; H21-T25 PolarHBondContact O-OG1 3.02Å |
| 22 | K | 70.3 | Confident | 68.5 | Low | 147 Ų | 147 | 112 Ų | 112 | 64% | 0.639 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -58.3 | -46.1 | 175.3 | -87.7 | -159.8 | 172.4 | -171.5 | 0 | 112 | F18 Y19 I24 T25 S26 | F18-K22 PolarHBondContact O-N 2.89Å; Y19-K22 PolarHBondContact O-N 3.04Å; K22-I24 PolarHBondContact O-N 3.01Å; K22-T25 WeakPolarHBondContact CA-OG1 3.41Å; K22-T25 PolarHBondContact O-N 3.15Å; K22-T25 PolarHBondContact O-OG1 2.01Å; K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 2.87Å; K22-S26 PolarHBondContact O-N 3.21Å; K22-S26 PolarHBondContact O-OG 3.35Å |
| 23 | V | 67.2 | Low | 67.1 | Low | 76 Ų | 76 | 110.5 Ų | 110.5 | 46% | 0.461 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -57.9 | -49.8 | 177 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | Y19 T20 H21 T25 S26 M27 | Y19-V23 VanDerWaalsContact O-CG2 3.32Å; Y19-V23 WeakPolarHBondContact O-CG2 3.4Å; Y19-V23 PolarHBondContact O-N 3.1Å; T20-V23 PolarHBondContact O-N 3.24Å; H21-V23 VanDerWaalsContact C-N 3.34Å; H21-V23 PolarHBondContact O-N 2.96Å; V23-T25 PolarHBondContact O-N 3.45Å; V23-S26 WeakPolarHBondContact CA-OG 3.41Å; V23-S26 PolarHBondContact O-N 3.5Å; V23-S26 PolarHBondContact O-OG 3.21Å; V23-M27 HydrophobicContact CG1-CE 3.95Å; V23-M27 PolarHBondContact O-N 3.14Å; V23-M27 VanDerWaalsContact O-N 3.08Å |
| 24 | I | 65.5 | Low | 65.9 | Low | 114 Ų | 114 | 107.5 Ų | 107.5 | 59% | 0.585 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.2 | -45.6 | 178.8 | -66.6 | 164.1 | 0 | 0 | 0 | 111.2 | T20 H21 K22 S26 M27 | T20-I24 WeakPolarHBondContact O-CD1 3.25Å; T20-I24 VanDerWaalsContact O-CG1 3.22Å; T20-I24 WeakPolarHBondContact O-CG1 2.87Å; T20-I24 PolarHBondContact O-N 3.38Å; H21-I24 PolarHBondContact O-N 2.98Å; K22-I24 PolarHBondContact O-N 3.01Å; I24-S26 VanDerWaalsContact C-N 3.33Å; I24-S26 PolarHBondContact O-N 2.95Å; I24-M27 PolarHBondContact O-N 2.95Å |
| 25 | T | 65 | Low | 64.8 | Low | 89 Ų | 89 | 109.9 Ų | 109.9 | 55% | 0.546 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -71.5 | -25.9 | 179.9 | 54.8 | 0 | 0 | 0 | 0 | 114 | H21 K22 V23 | H21-T25 VanDerWaalsContact CE1-CG2 3.41Å; H21-T25 WeakPolarHBondContact CE1-CG2 3.41Å; H21-T25 WeakPolarHBondContact O-CG2 3.43Å; H21-T25 PolarHBondContact O-N 3.32Å; H21-T25 PolarHBondContact O-OG1 3.02Å; K22-T25 WeakPolarHBondContact CA-OG1 3.41Å; K22-T25 PolarHBondContact O-N 3.15Å; K22-T25 PolarHBondContact O-OG1 2.01Å; V23-T25 PolarHBondContact O-N 3.45Å |
| 26 | S | 60.7 | Low | 63.9 | Low | 89 Ų | 89 | 112.4 Ų | 112.4 | 62% | 0.622 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -83.4 | -14.9 | 177.2 | 64.4 | 0 | 0 | 0 | 0 | 113.1 | K22 V23 I24 P28 | K22-S26 VanDerWaalsContact O-CB 3.27Å; K22-S26 WeakPolarHBondContact O-CB 2.87Å; K22-S26 PolarHBondContact O-N 3.21Å; K22-S26 PolarHBondContact O-OG 3.35Å; V23-S26 WeakPolarHBondContact CA-OG 3.41Å; V23-S26 PolarHBondContact O-N 3.5Å; V23-S26 PolarHBondContact O-OG 3.21Å; I24-S26 VanDerWaalsContact C-N 3.33Å; I24-S26 PolarHBondContact O-N 2.95Å; S26-P28 WeakPolarHBondContact O-CD 3.36Å |
| 27 | M | 51 | Low | 63.2 | Low | 119 Ų | 119 | 110 Ų | 110 | 59% | 0.586 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -69.3 | 123.3 | 168.2 | -74.5 | -179.8 | -179.6 | 0 | 0 | 107.3 | V23 I24 I29 | V23-M27 HydrophobicContact CG1-CE 3.95Å; V23-M27 PolarHBondContact O-N 3.14Å; V23-M27 VanDerWaalsContact O-N 3.08Å; I24-M27 PolarHBondContact O-N 2.95Å; M27-I29 PolarHBondContact O-N 2.92Å |
| 28 | P | 52.2 | Low | 62.4 | Low | 96 Ų | 96 | 107.7 Ų | 107.7 | 62% | 0.623 | 56% | 0.559 | S | S | * | * | trans | -56.5 | 121.3 | 169.2 | 25.1 | -31.1 | 0 | 0 | 0 | 106.1 | S26 A30 | S26-P28 WeakPolarHBondContact O-CD 3.36Å; P28-A30 PolarHBondContact O-N 2.98Å | ||
| 29 | I | 53 | Low | 61.9 | Low | 160 Ų | 160 | 106.1 Ų | 106.1 | 82% | 0.821 | 56% | 0.556 | S | S | * | * | trans | -63.8 | 85 | 166.9 | -63.7 | 165.4 | 0 | 0 | 0 | 104.5 | M27 E31 | M27-I29 PolarHBondContact O-N 2.92Å; I29-E31 PolarHBondContact O-N 3.18Å | ||
| 30 | A | 50.2 | Low | 61.5 | Low | 39 Ų | 39 | 103.9 Ų | 103.9 | 32% | 0.322 | 55% | 0.551 | S | S | . | * | trans | -66.9 | 94.7 | 164.5 | 0 | 0 | 0 | 0 | 0 | 104.6 | P28 E32 L33 T74 | P28-A30 PolarHBondContact O-N 2.98Å; A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 3.49Å; A30-L33 HydrophobicContact CB-CB 4.39Å; A30-T74 HydrophobicContact CB-CG2 3.78Å | ||
| 31 | E | 52.1 | Low | 61.3 | Low | 184 Ų | 184 | 101.1 Ų | 101.1 | 86% | 0.86 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.1 | 108.4 | 148.9 | -69.4 | 179 | 132.2 | 0 | 0 | 106.5 | I29 | I29-E31 PolarHBondContact O-N 3.18Š|
| 32 | E | 53.1 | Low | 61.2 | Low | 190 Ų | 190 | 97.4 Ų | 97.4 | 89% | 0.888 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.8 | 66.3 | 179.8 | -53.5 | -159.8 | 149.1 | 0 | 0 | 117 | A30 S34 | A30-E32 VanDerWaalsContact C-N 3.32Å; A30-E32 PolarHBondContact O-N 3.49Å; E32-S34 PolarHBondContact O-N 3.43Å; E32-S34 VanDerWaalsContact O-N 3.09Å |
| 33 | L | 53.7 | Low | 61.3 | Low | 46 Ų | 46 | 93.8 Ų | 93.8 | 24% | 0.241 | 52% | 0.517 | C | S | . | . | trans | -61.8 | 113.7 | 148.3 | -160.8 | 77.7 | 0 | 0 | 0 | 107 | A30 I35 C37 V70 C73 T74 | A30-L33 HydrophobicContact CB-CB 4.39Å; L33-I35 PolarHBondContact O-N 2.94Å; L33-C37 HydrophobicContact CD1-CB 4.41Å; L33-C37 HydrophobicContact CG-CB 4.13Å; L33-V70 HydrophobicContact CD1-CG1 4.12Å; L33-C73 HydrophobicContact CD1-CB 3.78Å; L33-T74 HydrophobicContact CD1-CG2 3.25Å | ||
| 34 | S | 59.1 | Low | 61.3 | Low | 56 Ų | 56 | 92.6 Ų | 92.6 | 39% | 0.392 | 51% | 0.506 | S | S | . | . | trans | -53.1 | 139.1 | -178.9 | 77.6 | 0 | 0 | 0 | 0 | 109.6 | E32 E36 C37 T38 | E32-S34 PolarHBondContact O-N 3.43Å; E32-S34 VanDerWaalsContact O-N 3.09Å; S34-E36 PolarHBondContact O-N 3.3Å; S34-C37 WeakPolarHBondContact O-CA 3.48Å; S34-C37 WeakPolarHBondContact O-CB 3.4Å; S34-C37 PolarHBondContact O-N 3.42Å; S34-C37 WeakPolarHBondContact OG-CB 3.42Å; S34-C37 PolarHBondContact OG-N 2.89Å; S34-C37 VanDerWaalsContact OG-N 3.14Å; S34-T38 PolarHBondContact O-N 3.46Å; S34-T38 PolarHBondContact O-OG1 3.3Å | ||
| 35 | I | 60.5 | Low | 61.4 | Low | 138 Ų | 138 | 88.5 Ų | 88.5 | 71% | 0.708 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -51.1 | -36.5 | 178.7 | -64.6 | 170.4 | 0 | 0 | 0 | 109.9 | L33 T38 I39 | L33-I35 PolarHBondContact O-N 2.94Å; I35-T38 WeakPolarHBondContact O-CB 3.48Å; I35-T38 PolarHBondContact O-N 2.99Å; I35-I39 HydrophobicContact CG2-CD1 3.82Å; I35-I39 HydrophobicContact CG2-CG1 4.43Å; I35-I39 VanDerWaalsContact O-CG1 3.26Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.92Å |
| 36 | E | 63 | Low | 61.7 | Low | 140 Ų | 140 | 87.4 Ų | 87.4 | 65% | 0.654 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.7 | -44.2 | 177.2 | -168 | 160.8 | -161.6 | 0 | 0 | 112.8 | S34 I39 Q40 | S34-E36 PolarHBondContact O-N 3.3Å; E36-I39 PolarHBondContact O-N 3.44Å; E36-Q40 WeakPolarHBondContact O-CG 3.3Å; E36-Q40 PolarHBondContact O-N 3.47Å |
| 37 | C | 66.1 | Low | 62.1 | Low | 17 Ų | 17 | 88.5 Ų | 88.5 | 12% | 0.115 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -65.8 | -37.8 | 173.3 | -92.2 | 0 | 0 | 0 | 0 | 112.9 | L33 S34 I39 Q40 C41 C73 | L33-C37 HydrophobicContact CD1-CB 4.41Å; L33-C37 HydrophobicContact CG-CB 4.13Å; S34-C37 WeakPolarHBondContact O-CA 3.48Å; S34-C37 WeakPolarHBondContact O-CB 3.4Å; S34-C37 PolarHBondContact O-N 3.42Å; S34-C37 WeakPolarHBondContact OG-CB 3.42Å; S34-C37 PolarHBondContact OG-N 2.89Å; S34-C37 VanDerWaalsContact OG-N 3.14Å; C37-I39 VanDerWaalsContact C-N 3.32Å; C37-I39 PolarHBondContact O-N 2.86Å; C37-Q40 PolarHBondContact O-N 3.29Å; C37-C41 VanDerWaalsContact O-CB 3.32Å; C37-C41 WeakPolarHBondContact O-CB 3.48Å; C37-C41 PolarHBondContact O-N 2.99Å; C37-C41 PolarHBondContact O-SG 3.22Å; C37-C73 HydrophobicContact CB-CB 3.44Å; C37-C73 VanDerWaalsContact CB-CB 3.44Å; C37-C73 WeakPolarHBondContact CB-SG 3.41Å; C37-C73 VanDerWaalsContact SG-CA 3.58Å; C37-C73 WeakPolarHBondContact SG-CB 3.21Å; C37-C73 CovalentContact SG-SG 2.01Å; C37-C73 PolarHBondContact SG-SG 2.7Å |
| 38 | T | 65.4 | Low | 63 | Low | 76 Ų | 76 | 83.5 Ų | 83.5 | 47% | 0.466 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 174.5 | -52.5 | 0 | 0 | 0 | 0 | 111.2 | S34 I35 G42 | S34-T38 PolarHBondContact O-N 3.46Å; S34-T38 PolarHBondContact O-OG1 3.3Å; I35-T38 WeakPolarHBondContact O-CB 3.48Å; I35-T38 PolarHBondContact O-N 2.99Å; T38-G42 WeakPolarHBondContact O-CA 3.46Å; T38-G42 PolarHBondContact O-N 3.34Å |
| 39 | I | 67.9 | Low | 63.8 | Low | 108 Ų | 108 | 86.5 Ų | 86.5 | 55% | 0.554 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -66.6 | -48.6 | 177.2 | -67.8 | 165.2 | 0 | 0 | 0 | 110.4 | I35 E36 C37 G42 V43 | I35-I39 HydrophobicContact CG2-CD1 3.82Å; I35-I39 HydrophobicContact CG2-CG1 4.43Å; I35-I39 VanDerWaalsContact O-CG1 3.26Å; I35-I39 WeakPolarHBondContact O-CG1 3.46Å; I35-I39 PolarHBondContact O-N 2.92Å; E36-I39 PolarHBondContact O-N 3.44Å; C37-I39 VanDerWaalsContact C-N 3.32Å; C37-I39 PolarHBondContact O-N 2.86Å; I39-G42 PolarHBondContact O-N 2.88Å; I39-V43 WeakPolarHBondContact O-CG2 3.32Å; I39-V43 PolarHBondContact O-N 3.49Å |
| 40 | Q | 68.5 | Low | 64.5 | Low | 114 Ų | 114 | 86.2 Ų | 86.2 | 53% | 0.533 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.7 | -47.4 | -179.9 | -75.6 | -172.3 | 0.3 | 0 | 0 | 112 | E36 C37 G42 V43 E44 | E36-Q40 WeakPolarHBondContact O-CG 3.3Å; E36-Q40 PolarHBondContact O-N 3.47Å; C37-Q40 PolarHBondContact O-N 3.29Å; Q40-G42 VanDerWaalsContact C-N 3.29Å; Q40-G42 PolarHBondContact O-N 3.01Å; Q40-V43 PolarHBondContact O-N 2.84Å; Q40-E44 PolarHBondContact O-N 2.84Å |
| 41 | C | 71.3 | Confident | 65.1 | Low | 11 Ų | 11 | 87.7 Ų | 87.7 | 7% | 0.074 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -69.3 | -29.9 | 177.2 | -56.6 | 0 | 0 | 0 | 0 | 112 | C37 V43 E44 A45 C69 | C37-C41 VanDerWaalsContact O-CB 3.32Å; C37-C41 WeakPolarHBondContact O-CB 3.48Å; C37-C41 PolarHBondContact O-N 2.99Å; C37-C41 PolarHBondContact O-SG 3.22Å; C41-V43 VanDerWaalsContact C-N 3.34Å; C41-V43 PolarHBondContact O-N 3.33Å; C41-E44 PolarHBondContact O-N 3.35Å; C41-A45 PolarHBondContact O-N 3.2Å; C41-C69 WeakPolarHBondContact CA-SG 3.44Å; C41-C69 HydrophobicContact CB-CB 3.91Å; C41-C69 WeakPolarHBondContact CB-SG 3.26Å; C41-C69 WeakPolarHBondContact SG-CB 3.39Å; C41-C69 CovalentContact SG-SG 2.04Å; C41-C69 PolarHBondContact SG-SG 2.8Å |
| 42 | G | 69.8 | Low | 65.4 | Low | 36 Ų | 36 | 86 Ų | 86 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.9 | -33.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | T38 I39 Q40 A45 D46 | T38-G42 WeakPolarHBondContact O-CA 3.46Å; T38-G42 PolarHBondContact O-N 3.34Å; I39-G42 PolarHBondContact O-N 2.88Å; Q40-G42 VanDerWaalsContact C-N 3.29Å; Q40-G42 PolarHBondContact O-N 3.01Å; G42-A45 WeakPolarHBondContact O-CB 3.08Å; G42-A45 PolarHBondContact O-N 2.92Å; G42-D46 PolarHBondContact O-N 3.41Å |
| 43 | V | 71.5 | Confident | 65.7 | Low | 72 Ų | 72 | 78.3 Ų | 78.3 | 44% | 0.436 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.1 | -38.6 | 173.4 | 173.5 | 0 | 0 | 0 | 0 | 111.2 | I39 Q40 C41 A45 D46 K47 | I39-V43 WeakPolarHBondContact O-CG2 3.32Å; I39-V43 PolarHBondContact O-N 3.49Å; Q40-V43 PolarHBondContact O-N 2.84Å; C41-V43 VanDerWaalsContact C-N 3.34Å; C41-V43 PolarHBondContact O-N 3.33Å; V43-A45 VanDerWaalsContact C-N 3.3Å; V43-D46 PolarHBondContact O-N 3.47Å; V43-K47 WeakPolarHBondContact O-CG 3.31Å; V43-K47 PolarHBondContact O-N 3.42Å |
| 44 | E | 67.6 | Low | 66.2 | Low | 51 Ų | 51 | 81.6 Ų | 81.6 | 24% | 0.238 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.4 | -36 | 172.9 | -71.4 | -59.6 | 130.3 | 0 | 0 | 111.5 | Q40 C41 K47 C48 | Q40-E44 PolarHBondContact O-N 2.84Å; C41-E44 PolarHBondContact O-N 3.35Å; E44-K47 PolarHBondContact O-N 3.26Å; E44-K47 IonicContact OE1-NZ 2.71Å; E44-K47 PolarHBondContact OE1-NZ 2.98Å; E44-C48 PolarHBondContact O-N 3.27Å; E44-C48 VanDerWaalsContact O-N 3.1Å |
| 45 | A | 67.6 | Low | 66.7 | Low | 28 Ų | 28 | 82 Ų | 82 | 23% | 0.231 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -64.1 | -43 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C41 G42 V43 K47 C48 Q49 M66 | C41-A45 PolarHBondContact O-N 3.2Å; G42-A45 WeakPolarHBondContact O-CB 3.08Å; G42-A45 PolarHBondContact O-N 2.92Å; V43-A45 VanDerWaalsContact C-N 3.3Å; A45-K47 PolarHBondContact O-N 2.97Å; A45-C48 WeakPolarHBondContact O-CB 3.39Å; A45-C48 PolarHBondContact O-N 3.35Å; A45-Q49 PolarHBondContact O-N 3.06Å; A45-M66 VanDerWaalsContact CA-CE 3.41Å; A45-M66 HydrophobicContact CB-CE 3.41Å; A45-M66 VanDerWaalsContact CB-CE 3.41Å; A45-M66 HydrophobicContact CB-CG 4.4Å; A45-M66 HydrophobicContact CB-SD 3.72Å |
| 46 | D | 71.3 | Confident | 67.2 | Low | 66 Ų | 66 | 82.3 Ų | 82.3 | 35% | 0.353 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 176.7 | -178.2 | 70.1 | 0 | 0 | 0 | 111.8 | G42 V43 C48 Q49 K50 | G42-D46 PolarHBondContact O-N 3.41Å; V43-D46 PolarHBondContact O-N 3.47Å; D46-C48 VanDerWaalsContact C-N 3.31Å; D46-C48 PolarHBondContact O-N 2.79Å; D46-Q49 PolarHBondContact O-N 3.06Å; D46-K50 WeakPolarHBondContact O-CB 3.48Å; D46-K50 WeakPolarHBondContact O-CG 3.32Å; D46-K50 PolarHBondContact O-N 3.34Å; D46-K50 IonicContact OD1-NZ 3.74Å; D46-K50 WeakPolarHBondContact OD2-CD 3.42Å; D46-K50 WeakPolarHBondContact OD2-CE 3.18Å; D46-K50 IonicContact OD2-NZ 2.67Å; D46-K50 PolarHBondContact OD2-NZ 3.14Å |
| 47 | K | 69.6 | Low | 67.8 | Low | 111 Ų | 111 | 79.7 Ų | 79.7 | 48% | 0.483 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.5 | -43.4 | 172.6 | -73.9 | 175.2 | -172.1 | 168.9 | 0 | 111.5 | V43 E44 A45 K50 A51 | V43-K47 WeakPolarHBondContact O-CG 3.31Å; V43-K47 PolarHBondContact O-N 3.42Å; E44-K47 PolarHBondContact O-N 3.26Å; E44-K47 IonicContact OE1-NZ 2.71Å; E44-K47 PolarHBondContact OE1-NZ 2.98Å; A45-K47 PolarHBondContact O-N 2.97Å; K47-K50 PolarHBondContact O-N 3.17Å; K47-A51 WeakPolarHBondContact O-CB 3.32Å; K47-A51 PolarHBondContact O-N 3.44Å |
| 48 | C | 69.3 | Low | 67.9 | Low | 14 Ų | 14 | 82.8 Ų | 82.8 | 10% | 0.095 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -65.5 | -38.5 | 177.8 | -85.4 | 0 | 0 | 0 | 0 | 113.2 | E44 A45 D46 C62 M66 | E44-C48 PolarHBondContact O-N 3.27Å; E44-C48 VanDerWaalsContact O-N 3.1Å; A45-C48 WeakPolarHBondContact O-CB 3.39Å; A45-C48 PolarHBondContact O-N 3.35Å; D46-C48 VanDerWaalsContact C-N 3.31Å; D46-C48 PolarHBondContact O-N 2.79Å; C48-C62 VanDerWaalsContact CA-SG 3.6Å; C48-C62 HydrophobicContact CB-CB 3.56Å; C48-C62 WeakPolarHBondContact CB-SG 3.31Å; C48-C62 WeakPolarHBondContact SG-CA 3.32Å; C48-C62 WeakPolarHBondContact SG-CB 3.32Å; C48-C62 CovalentContact SG-SG 2.01Å; C48-C62 PolarHBondContact SG-SG 2.95Å; C48-M66 HydrophobicContact CB-CE 4.32Å |
| 49 | Q | 68.3 | Low | 68.1 | Low | 159 Ų | 159 | 83.1 Ų | 83.1 | 74% | 0.743 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.5 | -41.8 | 175.3 | -169 | 173.4 | -4.3 | 0 | 0 | 111.7 | A45 D46 Q52 | A45-Q49 PolarHBondContact O-N 3.06Å; D46-Q49 PolarHBondContact O-N 3.06Å; Q49-Q52 PolarHBondContact O-N 2.01Å |
| 50 | K | 68.6 | Low | 68.4 | Low | 154 Ų | 154 | 83.6 Ų | 83.6 | 67% | 0.67 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69 | -31.4 | 176.3 | -76.5 | 176.4 | 178 | 161.7 | 0 | 113.3 | D46 K47 Q52 | D46-K50 WeakPolarHBondContact O-CB 3.48Å; D46-K50 WeakPolarHBondContact O-CG 3.32Å; D46-K50 PolarHBondContact O-N 3.34Å; D46-K50 IonicContact OD1-NZ 3.74Å; D46-K50 WeakPolarHBondContact OD2-CD 3.42Å; D46-K50 WeakPolarHBondContact OD2-CE 3.18Å; D46-K50 IonicContact OD2-NZ 2.67Å; D46-K50 PolarHBondContact OD2-NZ 3.14Å; K47-K50 PolarHBondContact O-N 3.17Å; K50-Q52 PolarHBondContact O-N 2.93Å |
| 51 | A | 62.3 | Low | 68.7 | Low | 71 Ų | 71 | 80.6 Ų | 80.6 | 59% | 0.587 | 45% | 0.445 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | 3.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | K47 A53 | K47-A51 WeakPolarHBondContact O-CB 3.32Å; K47-A51 PolarHBondContact O-N 3.44Å; A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 2.04Å |
| 52 | Q | 59.8 | Low | 68.9 | Low | 149 Ų | 149 | 80.8 Ų | 80.8 | 70% | 0.696 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.2 | 58.8 | -175 | -70.8 | -173.6 | -9 | 0 | 0 | 110.7 | Q49 K50 T54 | Q49-Q52 PolarHBondContact O-N 2.01Å; K50-Q52 PolarHBondContact O-N 2.93Å; Q52-T54 HydrophobicContact CB-CG2 4.25Å; Q52-T54 PolarHBondContact O-N 2.9Å; Q52-T54 PolarHBondContact O-OG1 3.08Å |
| 53 | A | 58.9 | Low | 69 | Low | 27 Ų | 27 | 83.2 Ų | 83.2 | 22% | 0.223 | 46% | 0.455 | C | S | . | . | trans | -62.4 | 77.8 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | A51 L58 I59 | A51-A53 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 2.04Å; A53-L58 HydrophobicContact CB-CB 3.75Å; A53-I59 HydrophobicContact CB-CG1 4.06Å; A53-I59 WeakPolarHBondContact O-CG1 3.44Å | ||
| 54 | T | 63.8 | Low | 69.3 | Low | 116 Ų | 116 | 85.3 Ų | 85.3 | 71% | 0.712 | 46% | 0.459 | S | S | * | . | trans | -92.8 | -13.9 | -177.8 | 47.6 | 0 | 0 | 0 | 0 | 111.2 | Q52 | Q52-T54 HydrophobicContact CB-CG2 4.25Å; Q52-T54 PolarHBondContact O-N 2.9Å; Q52-T54 PolarHBondContact O-OG1 3.08Å | ||
| 55 | T | 70.2 | Confident | 69.6 | Low | 65 Ų | 65 | 88.3 Ų | 88.3 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -103.9 | 138.9 | 176.1 | 67 | 0 | 0 | 0 | 0 | 110 | P57 L58 I59 | T55-P57 VanDerWaalsContact C-CD 3.42Å; T55-P57 VanDerWaalsContact C-N 3.32Å; T55-L58 WeakPolarHBondContact O-CB 3.48Å; T55-L58 PolarHBondContact O-N 3.3Å; T55-L58 WeakPolarHBondContact OG1-CD1 3.48Å; T55-L58 WeakPolarHBondContact OG1-CG 2.88Å; T55-I59 PolarHBondContact O-N 3.49Å; T55-I59 VanDerWaalsContact O-N 3.14Å |
| 56 | Q | 71.3 | Confident | 69.8 | Low | 144 Ų | 144 | 89.9 Ų | 89.9 | 67% | 0.673 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -48 | -42.4 | 176 | -163.4 | 159.5 | -0.6 | 0 | 0 | 114.7 | L58 I59 E60 | Q56-L58 VanDerWaalsContact C-N 3.32Å; Q56-L58 PolarHBondContact O-N 2.93Å; Q56-I59 PolarHBondContact O-N 2.89Å; Q56-E60 WeakPolarHBondContact O-CG 3.42Å; Q56-E60 PolarHBondContact O-N 3.18Å |
| 57 | P | 75.3 | Confident | 69.8 | Low | 85 Ų | 85 | 93.1 Ų | 93.1 | 55% | 0.552 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.8 | -32.2 | 175.9 | 24 | -35.8 | 0 | 0 | 0 | 113.8 | T55 A61 | T55-P57 VanDerWaalsContact C-CD 3.42Å; T55-P57 VanDerWaalsContact C-N 3.32Å; P57-A61 WeakPolarHBondContact O-CB 3.35Å; P57-A61 PolarHBondContact O-N 3.4Å |
| 58 | L | 68.2 | Low | 70.1 | Confident | 81 Ų | 81 | 92.8 Ų | 92.8 | 42% | 0.424 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.4 | -39.4 | 175.1 | -75.9 | 166.5 | 0 | 0 | 0 | 110.9 | A53 T55 Q56 A61 C62 | A53-L58 HydrophobicContact CB-CB 3.75Å; T55-L58 WeakPolarHBondContact O-CB 3.48Å; T55-L58 PolarHBondContact O-N 3.3Å; T55-L58 WeakPolarHBondContact OG1-CD1 3.48Å; T55-L58 WeakPolarHBondContact OG1-CG 2.88Å; Q56-L58 VanDerWaalsContact C-N 3.32Å; Q56-L58 PolarHBondContact O-N 2.93Å; L58-A61 PolarHBondContact O-N 3.41Å; L58-C62 VanDerWaalsContact O-CB 3.25Å; L58-C62 WeakPolarHBondContact O-CB 3.49Å; L58-C62 PolarHBondContact O-N 2.84Å; L58-C62 PolarHBondContact O-SG 3.38Å |
| 59 | I | 69 | Low | 70.2 | Confident | 83 Ų | 83 | 93.4 Ų | 93.4 | 43% | 0.426 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.9 | -46.2 | 176.1 | -61.8 | 171 | 0 | 0 | 0 | 110.1 | A53 T55 Q56 C62 V63 | A53-I59 HydrophobicContact CB-CG1 4.06Å; A53-I59 WeakPolarHBondContact O-CG1 3.44Å; T55-I59 PolarHBondContact O-N 3.49Å; T55-I59 VanDerWaalsContact O-N 3.14Å; Q56-I59 PolarHBondContact O-N 2.89Å; I59-C62 WeakPolarHBondContact O-CB 3.39Å; I59-C62 PolarHBondContact O-N 3.19Å; I59-V63 HydrophobicContact CG2-CG2 4.27Å; I59-V63 VanDerWaalsContact O-CG2 3.32Å; I59-V63 WeakPolarHBondContact O-CG2 3.34Å; I59-V63 PolarHBondContact O-N 3.28Å |
| 60 | E | 75 | Confident | 70.3 | Confident | 119 Ų | 119 | 87.9 Ų | 87.9 | 56% | 0.556 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.8 | -46.1 | 177.6 | -74 | 173.6 | -173.5 | 0 | 0 | 111.9 | Q56 C62 V63 Q64 | Q56-E60 WeakPolarHBondContact O-CG 3.42Å; Q56-E60 PolarHBondContact O-N 3.18Å; E60-C62 VanDerWaalsContact C-N 3.27Å; E60-C62 PolarHBondContact O-N 3.26Å; E60-V63 PolarHBondContact O-N 2.97Å; E60-Q64 VanDerWaalsContact O-CB 3.31Å; E60-Q64 WeakPolarHBondContact O-CB 3.05Å; E60-Q64 PolarHBondContact O-N 3.45Å |
| 61 | A | 74.5 | Confident | 70.4 | Confident | 50 Ų | 50 | 87.2 Ų | 87.2 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.3 | -38.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | P57 L58 K65 | P57-A61 WeakPolarHBondContact O-CB 3.35Å; P57-A61 PolarHBondContact O-N 3.4Å; L58-A61 PolarHBondContact O-N 3.41Å; A61-K65 WeakPolarHBondContact O-CG 3.46Å; A61-K65 PolarHBondContact O-N 3.32Å |
| 62 | C | 74.1 | Confident | 70.8 | Confident | 16 Ų | 16 | 91.3 Ų | 91.3 | 11% | 0.108 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 176.9 | -81.9 | 0 | 0 | 0 | 0 | 112.9 | C48 L58 I59 E60 Q64 K65 M66 | C48-C62 VanDerWaalsContact CA-SG 3.6Å; C48-C62 HydrophobicContact CB-CB 3.56Å; C48-C62 WeakPolarHBondContact CB-SG 3.31Å; C48-C62 WeakPolarHBondContact SG-CA 3.32Å; C48-C62 WeakPolarHBondContact SG-CB 3.32Å; C48-C62 CovalentContact SG-SG 2.01Å; C48-C62 PolarHBondContact SG-SG 2.95Å; L58-C62 VanDerWaalsContact O-CB 3.25Å; L58-C62 WeakPolarHBondContact O-CB 3.49Å; L58-C62 PolarHBondContact O-N 2.84Å; L58-C62 PolarHBondContact O-SG 3.38Å; I59-C62 WeakPolarHBondContact O-CB 3.39Å; I59-C62 PolarHBondContact O-N 3.19Å; E60-C62 VanDerWaalsContact C-N 3.27Å; E60-C62 PolarHBondContact O-N 3.26Å; C62-Q64 VanDerWaalsContact C-N 3.31Å; C62-Q64 PolarHBondContact O-N 2.86Å; C62-K65 PolarHBondContact O-N 3.35Å; C62-M66 WeakPolarHBondContact O-CG 3.22Å; C62-M66 PolarHBondContact O-N 3.45Å |
| 63 | V | 73.4 | Confident | 71.1 | Confident | 87 Ų | 87 | 85.9 Ų | 85.9 | 53% | 0.527 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -63 | -41.2 | 175.8 | 172 | 0 | 0 | 0 | 0 | 110.4 | I59 E60 M66 F67 | I59-V63 HydrophobicContact CG2-CG2 4.27Å; I59-V63 VanDerWaalsContact O-CG2 3.32Å; I59-V63 WeakPolarHBondContact O-CG2 3.34Å; I59-V63 PolarHBondContact O-N 3.28Å; E60-V63 PolarHBondContact O-N 2.97Å; V63-M66 PolarHBondContact O-N 3.28Å; V63-F67 WeakPolarHBondContact O-CB 3.42Å; V63-F67 PolarHBondContact O-N 3.49Å |
| 64 | Q | 76.7 | Confident | 71.3 | Confident | 115 Ų | 115 | 88 Ų | 88 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.7 | -45.2 | 176.8 | -172.3 | -179.8 | -23.3 | 0 | 0 | 111.5 | E60 C62 M66 F67 E68 | E60-Q64 VanDerWaalsContact O-CB 3.31Å; E60-Q64 WeakPolarHBondContact O-CB 3.05Å; E60-Q64 PolarHBondContact O-N 3.45Å; C62-Q64 VanDerWaalsContact C-N 3.31Å; C62-Q64 PolarHBondContact O-N 2.86Å; Q64-M66 PolarHBondContact O-N 2.92Å; Q64-F67 PolarHBondContact O-N 3.08Å; Q64-E68 PolarHBondContact NE2-OE1 2.94Å; Q64-E68 WeakPolarHBondContact O-CG 3.27Å; Q64-E68 PolarHBondContact O-N 2.84Å |
| 65 | K | 74.2 | Confident | 71 | Confident | 115 Ų | 115 | 84 Ų | 84 | 50% | 0.5 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 174.7 | -81.8 | -171.4 | 172.1 | -169.3 | 0 | 113.1 | A61 C62 F67 E68 C69 | A61-K65 WeakPolarHBondContact O-CG 3.46Å; A61-K65 PolarHBondContact O-N 3.32Å; C62-K65 PolarHBondContact O-N 3.35Å; K65-F67 VanDerWaalsContact C-N 3.31Å; K65-F67 PolarHBondContact O-N 3.25Å; K65-E68 PolarHBondContact O-N 2.99Å; K65-C69 WeakPolarHBondContact O-CB 3.41Å; K65-C69 PolarHBondContact O-N 3.44Å |
| 66 | M | 71.6 | Confident | 70.2 | Confident | 61 Ų | 61 | 86.1 Ų | 86.1 | 30% | 0.3 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -42.6 | 174.7 | -69.4 | -175.2 | -146.5 | 0 | 0 | 111 | A45 C48 C62 V63 Q64 C69 V70 | A45-M66 VanDerWaalsContact CA-CE 3.41Å; A45-M66 HydrophobicContact CB-CE 3.41Å; A45-M66 VanDerWaalsContact CB-CE 3.41Å; A45-M66 HydrophobicContact CB-CG 4.4Å; A45-M66 HydrophobicContact CB-SD 3.72Å; C48-M66 HydrophobicContact CB-CE 4.32Å; C62-M66 WeakPolarHBondContact O-CG 3.22Å; C62-M66 PolarHBondContact O-N 3.45Å; V63-M66 PolarHBondContact O-N 3.28Å; Q64-M66 PolarHBondContact O-N 2.92Å; M66-C69 WeakPolarHBondContact O-CB 2.85Å; M66-C69 PolarHBondContact O-N 3.32Å; M66-V70 WeakPolarHBondContact O-CG2 3.44Å; M66-V70 PolarHBondContact O-N 3.47Å |
| 67 | F | 72.5 | Confident | 69.2 | Low | 133 Ų | 133 | 84.5 Ų | 84.5 | 58% | 0.583 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 178.3 | -167.6 | -96.3 | 0 | 0 | 0 | 112.3 | V63 Q64 K65 C69 V70 K71 | V63-F67 WeakPolarHBondContact O-CB 3.42Å; V63-F67 PolarHBondContact O-N 3.49Å; Q64-F67 PolarHBondContact O-N 3.08Å; K65-F67 VanDerWaalsContact C-N 3.31Å; K65-F67 PolarHBondContact O-N 3.25Å; F67-C69 VanDerWaalsContact C-N 3.35Å; F67-V70 PolarHBondContact O-N 3.02Å; F67-K71 WeakPolarHBondContact O-CB 3.44Å; F67-K71 PolarHBondContact O-N 2.94Å |
| 68 | E | 74.4 | Confident | 67.8 | Low | 105 Ų | 105 | 85.5 Ų | 85.5 | 49% | 0.491 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 173 | -76.5 | 173.5 | -169.2 | 0 | 0 | 111.5 | Q64 K65 K71 H72 | Q64-E68 PolarHBondContact NE2-OE1 2.94Å; Q64-E68 WeakPolarHBondContact O-CG 3.27Å; Q64-E68 PolarHBondContact O-N 2.84Å; K65-E68 PolarHBondContact O-N 2.99Å; E68-K71 PolarHBondContact O-N 2.9Å; E68-H72 PolarHBondContact O-N 3.37Å |
| 69 | C | 73.2 | Confident | 66.7 | Low | 27 Ų | 27 | 87.6 Ų | 87.6 | 18% | 0.182 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.3 | -49.5 | 175.9 | -174.9 | 0 | 0 | 0 | 0 | 111.6 | C41 K65 M66 F67 K71 H72 C73 | C41-C69 WeakPolarHBondContact CA-SG 3.44Å; C41-C69 HydrophobicContact CB-CB 3.91Å; C41-C69 WeakPolarHBondContact CB-SG 3.26Å; C41-C69 WeakPolarHBondContact SG-CB 3.39Å; C41-C69 CovalentContact SG-SG 2.04Å; C41-C69 PolarHBondContact SG-SG 2.8Å; K65-C69 WeakPolarHBondContact O-CB 3.41Å; K65-C69 PolarHBondContact O-N 3.44Å; M66-C69 WeakPolarHBondContact O-CB 2.85Å; M66-C69 PolarHBondContact O-N 3.32Å; F67-C69 VanDerWaalsContact C-N 3.35Å; C69-K71 VanDerWaalsContact C-N 3.32Å; C69-K71 PolarHBondContact O-N 2.87Å; C69-H72 PolarHBondContact O-N 2.93Å; C69-C73 WeakPolarHBondContact O-CB 3.33Å; C69-C73 PolarHBondContact O-N 3.02Å; C69-C73 VanDerWaalsContact O-N 3.08Å; C69-C73 PolarHBondContact O-SG 3.04Å; C69-C73 VanDerWaalsContact O-SG 3.34Å |
| 70 | V | 70.3 | Confident | 65.5 | Low | 43 Ų | 43 | 90 Ų | 90 | 26% | 0.261 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 176.7 | 173 | 0 | 0 | 0 | 0 | 110.8 | L33 M66 F67 H72 C73 T74 | L33-V70 HydrophobicContact CD1-CG1 4.12Å; M66-V70 WeakPolarHBondContact O-CG2 3.44Å; M66-V70 PolarHBondContact O-N 3.47Å; F67-V70 PolarHBondContact O-N 3.02Å; V70-H72 VanDerWaalsContact C-N 3.3Å; V70-H72 PolarHBondContact O-N 2.83Å; V70-C73 CarbonylContact O-C 3.52Å; V70-C73 WeakPolarHBondContact O-CA 3.22Å; V70-C73 WeakPolarHBondContact O-CB 3.49Å; V70-C73 PolarHBondContact O-N 3.09Å; V70-T74 HydrophobicContact CG1-CG2 4.02Å; V70-T74 PolarHBondContact O-N 2.98Å; V70-T74 PolarHBondContact O-OG1 3.39Å; V70-T74 VanDerWaalsContact O-OG1 3.06Å |
| 71 | K | 70.1 | Confident | 63.9 | Low | 139 Ų | 139 | 90.2 Ų | 90.2 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.5 | -37 | 177 | -175.1 | -179 | 178.5 | -175.9 | 0 | 112.3 | F67 E68 C69 C73 G75 | F67-K71 WeakPolarHBondContact O-CB 3.44Å; F67-K71 PolarHBondContact O-N 2.94Å; E68-K71 PolarHBondContact O-N 2.9Å; C69-K71 VanDerWaalsContact C-N 3.32Å; C69-K71 PolarHBondContact O-N 2.87Å; K71-C73 PolarHBondContact O-N 2.96Å; K71-G75 WeakPolarHBondContact O-CA 3.33Å; K71-G75 PolarHBondContact O-N 3.06Å |
| 72 | H | 69.3 | Low | 62.3 | Low | 158 Ų | 158 | 97.7 Ų | 97.7 | 73% | 0.731 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67.5 | -29.3 | 174.7 | -158.3 | 53.2 | 0 | 0 | 0 | 112 | E68 C69 V70 | E68-H72 PolarHBondContact O-N 3.37Å; C69-H72 PolarHBondContact O-N 2.93Å; V70-H72 VanDerWaalsContact C-N 3.3Å; V70-H72 PolarHBondContact O-N 2.83Å |
| 73 | C | 66 | Low | 60.5 | Low | 35 Ų | 35 | 105.2 Ų | 105.2 | 24% | 0.236 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -84.7 | -33.8 | 180 | -76 | 0 | 0 | 0 | 0 | 115.1 | L33 C37 C69 V70 K71 | L33-C73 HydrophobicContact CD1-CB 3.78Å; C37-C73 HydrophobicContact CB-CB 3.44Å; C37-C73 VanDerWaalsContact CB-CB 3.44Å; C37-C73 WeakPolarHBondContact CB-SG 3.41Å; C37-C73 VanDerWaalsContact SG-CA 3.58Å; C37-C73 WeakPolarHBondContact SG-CB 3.21Å; C37-C73 CovalentContact SG-SG 2.01Å; C37-C73 PolarHBondContact SG-SG 2.7Å; C69-C73 WeakPolarHBondContact O-CB 3.33Å; C69-C73 PolarHBondContact O-N 3.02Å; C69-C73 VanDerWaalsContact O-N 3.08Å; C69-C73 PolarHBondContact O-SG 3.04Å; C69-C73 VanDerWaalsContact O-SG 3.34Å; V70-C73 CarbonylContact O-C 3.52Å; V70-C73 WeakPolarHBondContact O-CA 3.22Å; V70-C73 WeakPolarHBondContact O-CB 3.49Å; V70-C73 PolarHBondContact O-N 3.09Å; K71-C73 PolarHBondContact O-N 2.96Å |
| 74 | T | 62.9 | Low | 58.7 | Low | 72 Ų | 72 | 111.1 Ų | 111.1 | 44% | 0.442 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -100.2 | -9.1 | 179.3 | 61.6 | 0 | 0 | 0 | 0 | 112.9 | A30 L33 V70 | A30-T74 HydrophobicContact CB-CG2 3.78Å; L33-T74 HydrophobicContact CD1-CG2 3.25Å; V70-T74 HydrophobicContact CG1-CG2 4.02Å; V70-T74 PolarHBondContact O-N 2.98Å; V70-T74 PolarHBondContact O-OG1 3.39Å; V70-T74 VanDerWaalsContact O-OG1 3.06Å |
| 75 | G | 59.1 | Low | 56.9 | Low | 30 Ų | 30 | 120.3 Ų | 120.3 | 31% | 0.309 | 59% | 0.587 | S | S | . | * | S | Bend | trans | -72.5 | 148.4 | 178 | 0 | 0 | 0 | 0 | 0 | 110.9 | K71 | K71-G75 WeakPolarHBondContact O-CA 3.33Å; K71-G75 PolarHBondContact O-N 3.06Å |
| 76 | P | 52.1 | Low | 56 | Low | 111 Ų | 111 | 120.6 Ų | 120.6 | 72% | 0.721 | 59% | 0.592 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 146.7 | 163.4 | 26.2 | -32.4 | 0 | 0 | 0 | 108.3 | ||
| 77 | P | 50.2 | Low | 55.2 | Low | 109 Ų | 109 | 123.7 Ų | 123.7 | 71% | 0.708 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 142.8 | 172.1 | 22.9 | -33 | 0 | 0 | 0 | 108.1 | V79 | P77-V79 PolarHBondContact O-N 2.72Š|
| 78 | P | 46.8 | Very low | 54.3 | Low | 106 Ų | 106 | 123.2 Ų | 123.2 | 69% | 0.688 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -48.8 | 121.4 | 173.9 | 22.3 | -31.5 | 0 | 0 | 0 | 106.1 | E80 | P78-E80 PolarHBondContact O-N 2.93Š|
| 79 | V | 45.4 | Very low | 53.1 | Low | 125 Ų | 125 | 124.3 Ų | 124.3 | 76% | 0.758 | 62% | 0.615 | S | S | * | * | trans | -61.7 | 94.4 | 169.7 | -179 | 0 | 0 | 0 | 0 | 102.9 | P77 D81 | P77-V79 PolarHBondContact O-N 2.72Å; V79-D81 VanDerWaalsContact C-N 3.31Å; V79-D81 PolarHBondContact O-N 2.96Å | ||
| 80 | E | 43.1 | Very low | 51.8 | Low | 133 Ų | 133 | 130.4 Ų | 130.4 | 62% | 0.621 | 64% | 0.642 | S | S | * | * | trans | -51.2 | 113.5 | 156.4 | -77.4 | -174.9 | 155.5 | 0 | 0 | 103.3 | P78 Y82 | P78-E80 PolarHBondContact O-N 2.93Å; E80-Y82 HydrophobicContact CB-CD2 4.2Å; E80-Y82 HydrophobicContact CB-CE2 3.99Å; E80-Y82 WeakPolarHBondContact O-CD2 3.32Å; E80-Y82 PolarHBondContact O-N 2.67Å | ||
| 81 | D | 42.9 | Very low | 50.6 | Low | 124 Ų | 124 | 136.2 Ų | 136.2 | 66% | 0.663 | 67% | 0.668 | S | S | * | * | trans | -52.8 | 85.1 | 168.9 | -86.5 | -41.1 | 0 | 0 | 0 | 107.2 | V79 Y83 | V79-D81 VanDerWaalsContact C-N 3.31Å; V79-D81 PolarHBondContact O-N 2.96Å; D81-Y83 HydrophobicContact CB-CD2 3.76Å; D81-Y83 HydrophobicContact CB-CE2 4.48Å; D81-Y83 PolarHBondContact O-N 2.8Å; D81-Y83 WeakPolarHBondContact OD1-CD2 3.41Å; D81-Y83 VanDerWaalsContact OD1-CE2 3.32Å; D81-Y83 WeakPolarHBondContact OD1-CE2 3.32Å | ||
| 82 | Y | 39.4 | Very low | 49.2 | Very low | 208 Ų | 208 | 136 Ų | 136 | 82% | 0.816 | 67% | 0.672 | S | S | * | * | trans | -70.4 | 60.7 | 159.6 | -77.8 | -87.7 | 0 | 0 | 0 | 106.9 | E80 | E80-Y82 HydrophobicContact CB-CD2 4.2Å; E80-Y82 HydrophobicContact CB-CE2 3.99Å; E80-Y82 WeakPolarHBondContact O-CD2 3.32Å; E80-Y82 PolarHBondContact O-N 2.67Å | ||
| 83 | Y | 36.6 | Very low | 47.6 | Very low | 174 Ų | 174 | 134.3 Ų | 134.3 | 68% | 0.682 | 67% | 0.668 | S | S | * | * | trans | -83.6 | 126.3 | 161 | -89.4 | -92.9 | 0 | 0 | 0 | 106.8 | D81 | D81-Y83 HydrophobicContact CB-CD2 3.76Å; D81-Y83 HydrophobicContact CB-CE2 4.48Å; D81-Y83 PolarHBondContact O-N 2.8Å; D81-Y83 WeakPolarHBondContact OD1-CD2 3.41Å; D81-Y83 VanDerWaalsContact OD1-CE2 3.32Å; D81-Y83 WeakPolarHBondContact OD1-CE2 3.32Å | ||
| 84 | Y | 35.3 | Very low | 46.1 | Very low | 211 Ų | 211 | 142.6 Ų | 142.6 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | trans | 87.3 | 92.9 | 168.9 | -61.1 | -84 | 0 | 0 | 0 | 118.4 | ||||
| 85 | Y | 39.7 | Very low | 44.6 | Very low | 308 Ų | 308 | 149 Ų | 149 | 100% | 1.208 | 73% | 0.727 | S | S | * | * | -134 | 0 | 125 | -112 | -82.5 | 0 | 0 | 0 | 109.6 |
Retrieved 85 of 85 residues in 114.6 ms
(Link to these results)