| 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 | 38 | Very low | 43.2 | Very low | 236 Ų | 236 | 139 Ų | 139 | 100% | 1.163 | 73% | 0.726 | S | S | * | * | 0 | 94.4 | 0 | -71.4 | -180 | 178 | 0 | 0 | 107.5 | |||||
| 2 | H | 40.2 | Very low | 43.4 | Very low | 185 Ų | 185 | 139.3 Ų | 139.3 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | trans | -101.6 | 99.4 | -175.4 | -159.9 | -95.5 | 0 | 0 | 0 | 104.8 | ||||
| 3 | W | 33 | Very low | 43.9 | Very low | 237 Ų | 237 | 131.8 Ų | 131.8 | 90% | 0.898 | 69% | 0.694 | S | S | * | * | trans | -113.6 | 101.3 | 171.1 | -82.5 | 95 | 0 | 0 | 0 | 108.1 | V5 | W3-V5 PolarHBondContact O-N 3.13Å; W3-V5 VanDerWaalsContact O-N 3.12Å | ||
| 4 | A | 42.2 | Very low | 44.4 | Very low | 78 Ų | 78 | 125.6 Ų | 125.6 | 65% | 0.645 | 67% | 0.668 | S | S | * | * | trans | -53.6 | 109.2 | 173 | 0 | 0 | 0 | 0 | 0 | 109.7 | S6 | A4-S6 PolarHBondContact O-N 2.94Š| ||
| 5 | V | 46.8 | Very low | 45.1 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 80% | 0.8 | 66% | 0.655 | S | S | * | * | trans | -74.1 | 75.7 | 152.2 | -175.6 | 0 | 0 | 0 | 0 | 105.5 | W3 V7 | W3-V5 PolarHBondContact O-N 3.13Å; W3-V5 VanDerWaalsContact O-N 3.12Å; V5-V7 HydrophobicContact CG1-CG2 3.89Å; V5-V7 PolarHBondContact O-N 3.35Å | ||
| 6 | S | 43 | Very low | 45.7 | Very low | 89 Ų | 89 | 125.3 Ų | 125.3 | 62% | 0.622 | 66% | 0.657 | S | S | * | * | trans | -67.6 | 86.9 | 167 | -165 | 0 | 0 | 0 | 0 | 106 | A4 Y8 | A4-S6 PolarHBondContact O-N 2.94Å; S6-Y8 PolarHBondContact O-N 3.33Å | ||
| 7 | V | 47.3 | Very low | 46.6 | Very low | 101 Ų | 101 | 124 Ų | 124 | 61% | 0.612 | 65% | 0.649 | S | S | * | * | trans | -60.8 | 94.1 | 169.1 | 177.9 | 0 | 0 | 0 | 0 | 106.1 | V5 L9 | V5-V7 HydrophobicContact CG1-CG2 3.89Å; V5-V7 PolarHBondContact O-N 3.35Å; V7-L9 HydrophobicContact CG1-CB 4.07Å; V7-L9 HydrophobicContact CG1-CD1 3.75Å; V7-L9 PolarHBondContact O-N 3.26Å | ||
| 8 | Y | 38 | Very low | 47.4 | Very low | 219 Ų | 219 | 121.3 Ų | 121.3 | 86% | 0.859 | 64% | 0.635 | S | S | * | * | trans | -64.6 | 80.9 | 159.4 | -112.5 | -95.4 | 0 | 0 | 0 | 106.5 | S6 S10 | S6-Y8 PolarHBondContact O-N 3.33Å; Y8-S10 PolarHBondContact O-N 3.38Å | ||
| 9 | L | 47.8 | Very low | 48.1 | Very low | 102 Ų | 102 | 117.4 Ų | 117.4 | 53% | 0.534 | 62% | 0.619 | S | S | . | * | trans | -71.6 | 89.4 | 171.5 | -153 | 79.4 | 0 | 0 | 0 | 106.2 | V7 | V7-L9 HydrophobicContact CG1-CB 4.07Å; V7-L9 HydrophobicContact CG1-CD1 3.75Å; V7-L9 PolarHBondContact O-N 3.26Å | ||
| 10 | S | 45.5 | Very low | 48.9 | Very low | 51 Ų | 51 | 118.3 Ų | 118.3 | 36% | 0.357 | 62% | 0.618 | S | S | . | * | trans | -51.5 | 139.7 | 172.7 | 70 | 0 | 0 | 0 | 0 | 109.5 | Y8 L12 S13 S14 | Y8-S10 PolarHBondContact O-N 3.38Å; S10-L12 PolarHBondContact O-N 2.95Å; S10-S13 PolarHBondContact O-N 3.15Å; S10-S13 PolarHBondContact O-OG 3.43Å; S10-S13 VanDerWaalsContact O-OG 3.06Å; S10-S13 PolarHBondContact OG-N 3.3Å; S10-S14 PolarHBondContact O-N 3.13Å | ||
| 11 | P | 53.3 | Low | 50 | Low | 99 Ų | 99 | 119.1 Ų | 119.1 | 64% | 0.643 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -60.8 | -12.3 | 177.8 | 21.1 | -31 | 0 | 0 | 0 | 113.5 | N15 | P11-N15 WeakPolarHBondContact O-CB 3.42Å; P11-N15 PolarHBondContact O-N 3.13Å; P11-N15 PolarHBondContact O-ND2 3.08Å |
| 12 | L | 46.2 | Very low | 51.7 | Low | 143 Ų | 143 | 110.3 Ų | 110.3 | 75% | 0.749 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -76.5 | -36.6 | 172.1 | -82.7 | 124 | 0 | 0 | 0 | 113.5 | S10 F16 | S10-L12 PolarHBondContact O-N 2.95Å; L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 2.97Å |
| 13 | S | 48.9 | Very low | 53.4 | Low | 41 Ų | 41 | 104 Ų | 104 | 29% | 0.287 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -74.1 | -38.8 | 177.7 | 66.3 | 0 | 0 | 0 | 0 | 111.6 | S10 N15 F16 I17 | S10-S13 PolarHBondContact O-N 3.15Å; S10-S13 PolarHBondContact O-OG 3.43Å; S10-S13 VanDerWaalsContact O-OG 3.06Å; S10-S13 PolarHBondContact OG-N 3.3Å; S13-N15 PolarHBondContact O-N 3.45Å; S13-F16 PolarHBondContact O-N 2.96Å; S13-I17 WeakPolarHBondContact O-CD1 3.47Å; S13-I17 WeakPolarHBondContact O-CG1 3.27Å; S13-I17 PolarHBondContact O-N 3.42Å |
| 14 | S | 51.9 | Low | 55.8 | Low | 46 Ų | 46 | 95.7 Ų | 95.7 | 32% | 0.322 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.2 | -41.7 | 177 | -164.1 | 0 | 0 | 0 | 0 | 112.3 | S10 I18 | S10-S14 PolarHBondContact O-N 3.13Å; S14-I18 WeakPolarHBondContact O-CB 3.47Å; S14-I18 VanDerWaalsContact O-CD1 3.27Å; S14-I18 WeakPolarHBondContact O-CD1 3.14Å; S14-I18 WeakPolarHBondContact O-CG1 3.15Å; S14-I18 PolarHBondContact O-N 3.13Å |
| 15 | N | 53.8 | Low | 57.8 | Low | 90 Ų | 90 | 94 Ų | 94 | 48% | 0.481 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70 | -33.5 | 179 | -90.8 | -59.7 | 0 | 0 | 0 | 113.6 | P11 S13 S19 | P11-N15 WeakPolarHBondContact O-CB 3.42Å; P11-N15 PolarHBondContact O-N 3.13Å; P11-N15 PolarHBondContact O-ND2 3.08Å; S13-N15 PolarHBondContact O-N 3.45Å; N15-S19 WeakPolarHBondContact O-CB 3.48Å; N15-S19 PolarHBondContact O-N 3.45Å |
| 16 | F | 55.3 | Low | 59.7 | Low | 156 Ų | 156 | 88.5 Ų | 88.5 | 68% | 0.684 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69 | -44.8 | 175.7 | -169.9 | -99.8 | 0 | 0 | 0 | 111.3 | L12 S13 I18 S19 F20 | L12-F16 WeakPolarHBondContact O-CB 3.33Å; L12-F16 PolarHBondContact O-N 2.97Å; S13-F16 PolarHBondContact O-N 2.96Å; F16-I18 PolarHBondContact O-N 3.07Å; F16-S19 PolarHBondContact O-N 3.43Å; F16-F20 WeakPolarHBondContact O-CB 3.38Å; F16-F20 PolarHBondContact O-N 3.18Å |
| 17 | I | 60.7 | Low | 61.9 | Low | 103 Ų | 103 | 90.8 Ų | 90.8 | 53% | 0.528 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.7 | -44.9 | 175.3 | -66.5 | 163.9 | 0 | 0 | 0 | 110.8 | S13 S19 F20 F21 | S13-I17 WeakPolarHBondContact O-CD1 3.47Å; S13-I17 WeakPolarHBondContact O-CG1 3.27Å; S13-I17 PolarHBondContact O-N 3.42Å; I17-S19 PolarHBondContact O-N 3.47Å; I17-F20 PolarHBondContact O-N 3.11Å; I17-F21 WeakPolarHBondContact O-CB 3.42Å; I17-F21 PolarHBondContact O-N 3.26Å |
| 18 | I | 62.2 | Low | 64 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 39% | 0.385 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.6 | -39.3 | 178 | -66.7 | 161.9 | 0 | 0 | 0 | 111.5 | S14 F16 L22 | S14-I18 WeakPolarHBondContact O-CB 3.47Å; S14-I18 VanDerWaalsContact O-CD1 3.27Å; S14-I18 WeakPolarHBondContact O-CD1 3.14Å; S14-I18 WeakPolarHBondContact O-CG1 3.15Å; S14-I18 PolarHBondContact O-N 3.13Å; F16-I18 PolarHBondContact O-N 3.07Å; I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 PolarHBondContact O-N 3.33Å |
| 19 | S | 60.2 | Low | 66.5 | Low | 48 Ų | 48 | 83.1 Ų | 83.1 | 34% | 0.336 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -69.9 | -39 | 179.2 | -162.2 | 0 | 0 | 0 | 0 | 112.8 | N15 F16 I17 S23 | N15-S19 WeakPolarHBondContact O-CB 3.48Å; N15-S19 PolarHBondContact O-N 3.45Å; F16-S19 PolarHBondContact O-N 3.43Å; I17-S19 PolarHBondContact O-N 3.47Å; S19-S23 PolarHBondContact O-N 3Å; S19-S23 PolarHBondContact O-OG 3.38Å |
| 20 | F | 64.5 | Low | 68.5 | Low | 135 Ų | 135 | 82.4 Ų | 82.4 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -65.3 | -47.7 | 174.2 | -178 | -103.6 | 0 | 0 | 0 | 110.4 | F16 I17 L22 S23 D24 | F16-F20 WeakPolarHBondContact O-CB 3.38Å; F16-F20 PolarHBondContact O-N 3.18Å; I17-F20 PolarHBondContact O-N 3.11Å; F20-L22 VanDerWaalsContact C-N 3.34Å; F20-L22 PolarHBondContact O-N 3.03Å; F20-S23 PolarHBondContact O-N 3.43Å; F20-D24 WeakPolarHBondContact CE1-OD2 3.47Å; F20-D24 WeakPolarHBondContact CZ-OD2 3.39Å; F20-D24 PolarHBondContact O-N 2.77Å |
| 21 | F | 71.6 | Confident | 70.8 | Confident | 135 Ų | 135 | 85.4 Ų | 85.4 | 59% | 0.592 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -59.1 | -39.6 | 177.3 | -174.8 | -100.5 | 0 | 0 | 0 | 113.4 | I17 T25 | I17-F21 WeakPolarHBondContact O-CB 3.42Å; I17-F21 PolarHBondContact O-N 3.26Å; F21-T25 VanDerWaalsContact O-CB 3.26Å; F21-T25 WeakPolarHBondContact O-CB 3.35Å; F21-T25 PolarHBondContact O-N 3.48Å; F21-T25 PolarHBondContact O-OG1 2.9Å |
| 22 | L | 72.9 | Confident | 72.6 | Confident | 51 Ų | 51 | 83.6 Ų | 83.6 | 27% | 0.267 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.9 | -39.3 | 178.1 | -129.6 | 71.9 | 0 | 0 | 0 | 112.3 | I18 F20 L26 V97 V101 | I18-L22 WeakPolarHBondContact O-CB 3.4Å; I18-L22 PolarHBondContact O-N 3.33Å; F20-L22 VanDerWaalsContact C-N 3.34Å; F20-L22 PolarHBondContact O-N 3.03Å; L22-L26 VanDerWaalsContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 PolarHBondContact O-N 3.42Å; L22-V97 HydrophobicContact CG-CG1 4.44Å; L22-V101 HydrophobicContact CB-CG2 4.03Å; L22-V101 HydrophobicContact CD2-CG2 3.8Å; L22-V101 HydrophobicContact CG-CG2 4.11Å |
| 23 | S | 77.3 | Confident | 74.7 | Confident | 54 Ų | 54 | 77 Ų | 77 | 38% | 0.378 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.5 | -41.2 | 176.2 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | S19 F20 L26 F27 | S19-S23 PolarHBondContact O-N 3Å; S19-S23 PolarHBondContact O-OG 3.38Å; F20-S23 PolarHBondContact O-N 3.43Å; S23-L26 WeakPolarHBondContact O-CB 3.48Å; S23-L26 PolarHBondContact O-N 2.93Å; S23-F27 PolarHBondContact O-N 2.99Å |
| 24 | D | 82.6 | Confident | 76.9 | Confident | 62 Ų | 62 | 82.2 Ų | 82.2 | 33% | 0.332 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 172.9 | -96.2 | -73.7 | 0 | 0 | 0 | 111.7 | F20 L26 F27 Q28 | F20-D24 WeakPolarHBondContact CE1-OD2 3.47Å; F20-D24 WeakPolarHBondContact CZ-OD2 3.39Å; F20-D24 PolarHBondContact O-N 2.77Å; D24-L26 PolarHBondContact O-N 3.17Å; D24-F27 PolarHBondContact O-N 2.88Å; D24-Q28 WeakPolarHBondContact O-CG 3.46Å; D24-Q28 PolarHBondContact O-N 2.85Å |
| 25 | T | 83.8 | Confident | 78.9 | Confident | 41 Ų | 41 | 84.4 Ų | 84.4 | 25% | 0.252 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.7 | -57.7 | 0 | 0 | 0 | 0 | 111.1 | F21 F27 Q28 L29 | F21-T25 VanDerWaalsContact O-CB 3.26Å; F21-T25 WeakPolarHBondContact O-CB 3.35Å; F21-T25 PolarHBondContact O-N 3.48Å; F21-T25 PolarHBondContact O-OG1 2.9Å; T25-F27 VanDerWaalsContact C-N 3.34Å; T25-F27 PolarHBondContact O-N 2.97Å; T25-Q28 PolarHBondContact O-N 2.98Å; T25-L29 HydrophobicContact CG2-CD1 4.05Å; T25-L29 HydrophobicContact CG2-CG 4.33Å; T25-L29 WeakPolarHBondContact O-CB 3.5Å; T25-L29 VanDerWaalsContact O-CG 3.24Å; T25-L29 WeakPolarHBondContact O-CG 3.44Å; T25-L29 PolarHBondContact O-N 3.46Å |
| 26 | L | 86.5 | Confident | 80.8 | Confident | 18 Ų | 18 | 81.4 Ų | 81.4 | 9% | 0.094 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.5 | -47.4 | 173.1 | 173.6 | 81.9 | 0 | 0 | 0 | 111.6 | L22 S23 D24 L29 K30 A94 V97 Q98 | L22-L26 VanDerWaalsContact O-CB 3.31Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 PolarHBondContact O-N 3.42Å; S23-L26 WeakPolarHBondContact O-CB 3.48Å; S23-L26 PolarHBondContact O-N 2.93Å; D24-L26 PolarHBondContact O-N 3.17Å; L26-L29 PolarHBondContact O-N 3.36Å; L26-K30 PolarHBondContact O-N 2.97Å; L26-A94 WeakPolarHBondContact CD1-O 3.14Å; L26-V97 HydrophobicContact CB-CG1 4.06Å; L26-V97 HydrophobicContact CD1-CB 4.23Å; L26-V97 HydrophobicContact CD1-CG1 4.1Å; L26-Q98 HydrophobicContact CD1-CB 3.73Å |
| 27 | F | 90.3 | Very high | 82.6 | Confident | 136 Ų | 136 | 77.4 Ų | 77.4 | 60% | 0.596 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.6 | -46.8 | 178.3 | 176.5 | -98.6 | 0 | 0 | 0 | 111.4 | S23 D24 T25 L29 K30 F31 | S23-F27 PolarHBondContact O-N 2.99Å; D24-F27 PolarHBondContact O-N 2.88Å; T25-F27 VanDerWaalsContact C-N 3.34Å; T25-F27 PolarHBondContact O-N 2.97Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 3.33Å; F27-K30 PolarHBondContact O-N 2.93Å; F27-F31 VanDerWaalsContact O-CB 3.27Å; F27-F31 WeakPolarHBondContact O-CB 3.44Å; F27-F31 PolarHBondContact O-N 2.94Å |
| 28 | Q | 90.3 | Very high | 84.3 | Confident | 121 Ų | 121 | 80.2 Ų | 80.2 | 57% | 0.565 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 177 | -72.4 | -173.1 | 7 | 0 | 0 | 112.3 | D24 T25 F31 T32 | D24-Q28 WeakPolarHBondContact O-CG 3.46Å; D24-Q28 PolarHBondContact O-N 2.85Å; T25-Q28 PolarHBondContact O-N 2.98Å; Q28-F31 PolarHBondContact O-N 3.33Å; Q28-T32 VanDerWaalsContact O-CB 3.27Å; Q28-T32 WeakPolarHBondContact O-CB 3.45Å; Q28-T32 PolarHBondContact O-N 3.32Å; Q28-T32 PolarHBondContact O-OG1 3.33Å |
| 29 | L | 90.6 | Very high | 85.8 | Confident | 39 Ų | 39 | 81 Ų | 81 | 20% | 0.204 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -48.5 | 177.2 | -72.4 | 170.9 | 0 | 0 | 0 | 111.4 | T25 L26 F27 F31 T32 A33 V90 V93 A94 V97 | T25-L29 HydrophobicContact CG2-CD1 4.05Å; T25-L29 HydrophobicContact CG2-CG 4.33Å; T25-L29 WeakPolarHBondContact O-CB 3.5Å; T25-L29 VanDerWaalsContact O-CG 3.24Å; T25-L29 WeakPolarHBondContact O-CG 3.44Å; T25-L29 PolarHBondContact O-N 3.46Å; L26-L29 PolarHBondContact O-N 3.36Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 3.33Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.18Å; L29-T32 PolarHBondContact O-N 3.43Å; L29-A33 PolarHBondContact O-N 2.75Å; L29-V90 HydrophobicContact CB-CG1 4.38Å; L29-V90 HydrophobicContact CD2-CG1 4.07Å; L29-V90 WeakPolarHBondContact O-CG1 3.4Å; L29-V93 HydrophobicContact CD1-CG1 4.21Å; L29-A94 HydrophobicContact CB-CB 3.88Å; L29-V97 HydrophobicContact CD1-CG2 4.16Å |
| 30 | K | 90.7 | Very high | 87.3 | Confident | 87 Ų | 87 | 79 Ų | 79 | 38% | 0.378 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61 | -40.8 | 176.1 | -76.3 | -174.1 | 165.2 | 173.2 | 0 | 112.2 | L26 F27 A33 K34 A94 | L26-K30 PolarHBondContact O-N 2.97Å; F27-K30 PolarHBondContact O-N 2.93Å; K30-A33 PolarHBondContact O-N 3.21Å; K30-K34 PolarHBondContact O-N 3.45Å; K30-K34 VanDerWaalsContact O-N 3.1Å; K30-A94 HydrophobicContact CG-CB 3.97Å |
| 31 | F | 93.4 | Very high | 88.8 | Confident | 114 Ų | 114 | 79.1 Ų | 79.1 | 50% | 0.5 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.6 | -176.8 | -119.5 | 0 | 0 | 0 | 112 | F27 Q28 L29 K34 Q35 | F27-F31 VanDerWaalsContact O-CB 3.27Å; F27-F31 WeakPolarHBondContact O-CB 3.44Å; F27-F31 PolarHBondContact O-N 2.94Å; Q28-F31 PolarHBondContact O-N 3.33Å; L29-F31 VanDerWaalsContact C-N 3.32Å; L29-F31 PolarHBondContact O-N 3.18Å; F31-K34 PolarHBondContact O-N 3.14Å; F31-Q35 HydrophobicContact CE1-CG 4.43Å; F31-Q35 HydrophobicContact CE2-CG 4.48Å; F31-Q35 HydrophobicContact CZ-CG 4.3Å; F31-Q35 VanDerWaalsContact CZ-NE2 3.32Å; F31-Q35 WeakPolarHBondContact O-CG 3.43Å; F31-Q35 PolarHBondContact O-N 2.94Å |
| 32 | T | 91.3 | Very high | 89.9 | Confident | 61 Ų | 61 | 78.9 Ų | 78.9 | 37% | 0.374 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.2 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | Q28 L29 K34 Q35 L36 | Q28-T32 VanDerWaalsContact O-CB 3.27Å; Q28-T32 WeakPolarHBondContact O-CB 3.45Å; Q28-T32 PolarHBondContact O-N 3.32Å; Q28-T32 PolarHBondContact O-OG1 3.33Å; L29-T32 PolarHBondContact O-N 3.43Å; T32-K34 PolarHBondContact O-N 3.02Å; T32-Q35 PolarHBondContact O-N 3.19Å; T32-L36 HydrophobicContact CG2-CD1 4.11Å; T32-L36 HydrophobicContact CG2-CG 4.44Å; T32-L36 WeakPolarHBondContact O-CG 3.47Å; T32-L36 PolarHBondContact O-N 2.89Å |
| 33 | A | 90.7 | Very high | 90.9 | Very high | 3 Ų | 3 | 76.6 Ų | 76.6 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -56.3 | -50.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L29 K30 Q35 L36 E37 V90 D91 | L29-A33 PolarHBondContact O-N 2.75Å; K30-A33 PolarHBondContact O-N 3.21Å; A33-Q35 VanDerWaalsContact C-N 3.34Å; A33-Q35 PolarHBondContact O-N 3.22Å; A33-L36 PolarHBondContact O-N 3.44Å; A33-E37 PolarHBondContact O-N 3.45Å; A33-V90 HydrophobicContact CB-CB 4.36Å; A33-V90 HydrophobicContact CB-CG1 4.02Å; A33-D91 HydrophobicContact CB-CB 4.16Å |
| 34 | K | 93.9 | Very high | 91.6 | Very high | 151 Ų | 151 | 78.8 Ų | 78.8 | 66% | 0.657 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -59.3 | -39.8 | 175.3 | -92.3 | -105.5 | 179.5 | 168.7 | 0 | 113.5 | K30 F31 T32 K38 | K30-K34 PolarHBondContact O-N 3.45Å; K30-K34 VanDerWaalsContact O-N 3.1Å; F31-K34 PolarHBondContact O-N 3.14Å; T32-K34 PolarHBondContact O-N 3.02Å; K34-K38 PolarHBondContact O-N 3.5Å; K34-K38 VanDerWaalsContact O-N 3.09Å |
| 35 | Q | 95.1 | Very high | 92.2 | Very high | 92 Ų | 92 | 83.2 Ų | 83.2 | 43% | 0.43 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -65 | -44.1 | 175.9 | -80 | -166.4 | 60.4 | 0 | 0 | 111.7 | F31 T32 A33 E37 K38 L39 | F31-Q35 HydrophobicContact CE1-CG 4.43Å; F31-Q35 HydrophobicContact CE2-CG 4.48Å; F31-Q35 HydrophobicContact CZ-CG 4.3Å; F31-Q35 VanDerWaalsContact CZ-NE2 3.32Å; F31-Q35 WeakPolarHBondContact O-CG 3.43Å; F31-Q35 PolarHBondContact O-N 2.94Å; T32-Q35 PolarHBondContact O-N 3.19Å; A33-Q35 VanDerWaalsContact C-N 3.34Å; A33-Q35 PolarHBondContact O-N 3.22Å; Q35-E37 PolarHBondContact O-N 3.38Å; Q35-K38 WeakPolarHBondContact O-CB 3.47Å; Q35-K38 PolarHBondContact O-N 3.35Å; Q35-K38 VanDerWaalsContact O-N 3.17Å; Q35-L39 WeakPolarHBondContact O-CG 3.41Å; Q35-L39 PolarHBondContact O-N 2.7Å |
| 36 | L | 92.9 | Very high | 92.7 | Very high | 28 Ų | 28 | 84 Ų | 84 | 15% | 0.147 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -63.3 | -40.3 | 177.7 | -71 | 171.2 | 0 | 0 | 0 | 111.9 | T32 A33 K38 L39 A40 M86 A87 V90 | T32-L36 HydrophobicContact CG2-CD1 4.11Å; T32-L36 HydrophobicContact CG2-CG 4.44Å; T32-L36 WeakPolarHBondContact O-CG 3.47Å; T32-L36 PolarHBondContact O-N 2.89Å; A33-L36 PolarHBondContact O-N 3.44Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.19Å; L36-L39 PolarHBondContact O-N 3.27Å; L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.19Å; L36-M86 HydrophobicContact CD1-CB 4.07Å; L36-M86 HydrophobicContact CD1-CG 3.74Å; L36-A87 HydrophobicContact CB-CB 3.71Å; L36-V90 HydrophobicContact CD1-CG2 4.27Å |
| 37 | E | 92.9 | Very high | 92.8 | Very high | 71 Ų | 71 | 83.4 Ų | 83.4 | 33% | 0.332 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.2 | -41.8 | 172.1 | -74.9 | -176.7 | -175.3 | 0 | 0 | 112.5 | A33 Q35 L39 A40 K41 A87 | A33-E37 PolarHBondContact O-N 3.45Å; Q35-E37 PolarHBondContact O-N 3.38Å; E37-L39 VanDerWaalsContact C-N 3.34Å; E37-A40 PolarHBondContact O-N 3.42Å; E37-K41 WeakPolarHBondContact O-CG 3.43Å; E37-K41 PolarHBondContact O-N 3.11Å; E37-A87 HydrophobicContact CG-CB 3.96Å |
| 38 | K | 96.1 | Very high | 92.9 | Very high | 163 Ų | 163 | 82.6 Ų | 82.6 | 71% | 0.709 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -65.4 | -40.2 | 178.1 | -170.5 | 177.1 | -178.7 | 178.2 | 0 | 111.2 | K34 Q35 L36 K42 | K34-K38 PolarHBondContact O-N 3.5Å; K34-K38 VanDerWaalsContact O-N 3.09Å; Q35-K38 WeakPolarHBondContact O-CB 3.47Å; Q35-K38 PolarHBondContact O-N 3.35Å; Q35-K38 VanDerWaalsContact O-N 3.17Å; L36-K38 VanDerWaalsContact C-N 3.32Å; L36-K38 PolarHBondContact O-N 3.19Å; K38-K42 WeakPolarHBondContact O-CB 3.45Å; K38-K42 PolarHBondContact O-N 2.9Å |
| 39 | L | 93.4 | Very high | 93 | Very high | 90 Ų | 90 | 79.8 Ų | 79.8 | 47% | 0.471 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 174.1 | -70.2 | 173.6 | 0 | 0 | 0 | 111.6 | Q35 L36 E37 K42 A43 | Q35-L39 WeakPolarHBondContact O-CG 3.41Å; Q35-L39 PolarHBondContact O-N 2.7Å; L36-L39 PolarHBondContact O-N 3.27Å; E37-L39 VanDerWaalsContact C-N 3.34Å; L39-K42 PolarHBondContact O-N 3.28Å; L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 2.91Å |
| 40 | A | 92.2 | Very high | 92.8 | Very high | 7 Ų | 7 | 79.7 Ų | 79.7 | 6% | 0.058 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -59.9 | -48.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | L36 E37 K42 A43 E44 G80 C83 L84 | L36-A40 WeakPolarHBondContact O-CB 3.39Å; L36-A40 PolarHBondContact O-N 3.19Å; E37-A40 PolarHBondContact O-N 3.42Å; A40-K42 VanDerWaalsContact C-N 3.31Å; A40-K42 PolarHBondContact O-N 3.44Å; A40-A43 PolarHBondContact O-N 2.67Å; A40-E44 PolarHBondContact O-N 3.15Å; A40-G80 WeakPolarHBondContact CB-O 3.47Å; A40-C83 HydrophobicContact CB-CB 3.9Å; A40-L84 HydrophobicContact CB-CB 4.18Å |
| 41 | K | 95.3 | Very high | 92.5 | Very high | 137 Ų | 137 | 80 Ų | 80 | 60% | 0.596 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -60.5 | -39 | 175.9 | -74.1 | 173.3 | 178.9 | 168.9 | 0 | 112.4 | E37 K45 | E37-K41 WeakPolarHBondContact O-CG 3.43Å; E37-K41 PolarHBondContact O-N 3.11Å; K41-K45 PolarHBondContact O-N 3Å |
| 42 | K | 96.3 | Very high | 92.4 | Very high | 130 Ų | 130 | 76.8 Ų | 76.8 | 57% | 0.565 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.7 | -47.7 | 175.6 | -174.2 | -177.9 | 176.6 | -174 | 0 | 111.2 | K38 L39 A40 E44 K45 D46 | K38-K42 WeakPolarHBondContact O-CB 3.45Å; K38-K42 PolarHBondContact O-N 2.9Å; L39-K42 PolarHBondContact O-N 3.28Å; A40-K42 VanDerWaalsContact C-N 3.31Å; A40-K42 PolarHBondContact O-N 3.44Å; K42-E44 VanDerWaalsContact C-N 3.29Å; K42-E44 PolarHBondContact O-N 2.91Å; K42-K45 WeakPolarHBondContact O-CB 3.33Å; K42-K45 PolarHBondContact O-N 3.43Å; K42-D46 PolarHBondContact O-N 3.5Å |
| 43 | A | 93.4 | Very high | 92.2 | Very high | 4 Ų | 4 | 77.5 Ų | 77.5 | 3% | 0.033 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.6 | -37 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L39 A40 D46 S47 | L39-A43 WeakPolarHBondContact O-CB 3.49Å; L39-A43 PolarHBondContact O-N 2.91Å; A40-A43 PolarHBondContact O-N 2.67Å; A43-D46 PolarHBondContact O-N 2.92Å; A43-S47 WeakPolarHBondContact O-CB 3.46Å; A43-S47 PolarHBondContact O-N 3.47Å |
| 44 | E | 91.6 | Very high | 91.9 | Very high | 99 Ų | 99 | 78.5 Ų | 78.5 | 46% | 0.463 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.5 | -42.6 | 174.1 | -162.2 | -162.7 | 151.5 | 0 | 0 | 112.1 | A40 K42 S47 K48 | A40-E44 PolarHBondContact O-N 3.15Å; K42-E44 VanDerWaalsContact C-N 3.29Å; K42-E44 PolarHBondContact O-N 2.91Å; E44-S47 PolarHBondContact O-N 2.96Å; E44-K48 WeakPolarHBondContact O-CG 3.19Å; E44-K48 PolarHBondContact O-N 2.95Å; E44-K48 VanDerWaalsContact OE1-CE 3.23Å; E44-K48 WeakPolarHBondContact OE1-CE 3.3Å; E44-K48 IonicContact OE1-NZ 2.67Å; E44-K48 PolarHBondContact OE1-NZ 3.37Å |
| 45 | K | 96.4 | Very high | 91.4 | Very high | 156 Ų | 156 | 78.3 Ų | 78.3 | 68% | 0.678 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -61.6 | -44.6 | 174.5 | -176.2 | -179 | 177.7 | -179.6 | 0 | 111.4 | K41 K42 S47 K48 S49 | K41-K45 PolarHBondContact O-N 3Å; K42-K45 WeakPolarHBondContact O-CB 3.33Å; K42-K45 PolarHBondContact O-N 3.43Å; K45-S47 VanDerWaalsContact C-N 3.34Å; K45-K48 PolarHBondContact O-N 3.41Å; K45-S49 PolarHBondContact O-N 3Å |
| 46 | D | 93.5 | Very high | 91.1 | Very high | 57 Ų | 57 | 80.4 Ų | 80.4 | 31% | 0.305 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 177.9 | -67.1 | -14.9 | 0 | 0 | 0 | 110.8 | K42 A43 K48 S49 E50 K76 | K42-D46 PolarHBondContact O-N 3.5Å; A43-D46 PolarHBondContact O-N 2.92Å; D46-K48 PolarHBondContact O-N 3.36Å; D46-S49 WeakPolarHBondContact O-CB 3.47Å; D46-S49 PolarHBondContact O-N 3.48Å; D46-E50 WeakPolarHBondContact O-CG 3.5Å; D46-E50 PolarHBondContact O-N 3.28Å; D46-K76 HydrophobicContact CB-CD 4.24Å |
| 47 | S | 88.3 | Confident | 90.5 | Very high | 5 Ų | 5 | 79.2 Ų | 79.2 | 4% | 0.035 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -59.8 | -44.7 | 173.6 | 180 | 0 | 0 | 0 | 0 | 112.4 | A43 E44 K45 S49 E50 Q51 A73 | A43-S47 WeakPolarHBondContact O-CB 3.46Å; A43-S47 PolarHBondContact O-N 3.47Å; E44-S47 PolarHBondContact O-N 2.96Å; K45-S47 VanDerWaalsContact C-N 3.34Å; S47-S49 VanDerWaalsContact C-N 3.31Å; S47-S49 PolarHBondContact O-N 3.48Å; S47-E50 PolarHBondContact O-N 3.34Å; S47-Q51 WeakPolarHBondContact O-CG 3.38Å; S47-Q51 PolarHBondContact O-N 2.98Å; S47-A73 PolarHBondContact OG-O 3.17Å |
| 48 | K | 91.8 | Very high | 89.8 | Confident | 120 Ų | 120 | 80.4 Ų | 80.4 | 52% | 0.522 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.2 | -37.7 | 175.2 | -70.6 | 174.4 | -174.1 | 168.3 | 0 | 112.3 | E44 K45 D46 Q51 A52 | E44-K48 WeakPolarHBondContact O-CG 3.19Å; E44-K48 PolarHBondContact O-N 2.95Å; E44-K48 VanDerWaalsContact OE1-CE 3.23Å; E44-K48 WeakPolarHBondContact OE1-CE 3.3Å; E44-K48 IonicContact OE1-NZ 2.67Å; E44-K48 PolarHBondContact OE1-NZ 3.37Å; K45-K48 PolarHBondContact O-N 3.41Å; D46-K48 PolarHBondContact O-N 3.36Å; K48-Q51 PolarHBondContact O-N 2.9Å; K48-A52 PolarHBondContact O-N 3.48Å; K48-A52 VanDerWaalsContact O-N 3.07Å |
| 49 | S | 92.9 | Very high | 89.4 | Confident | 62 Ų | 62 | 80.3 Ų | 80.3 | 43% | 0.434 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.4 | -46.1 | 174.7 | -174.4 | 0 | 0 | 0 | 0 | 111.6 | K45 D46 S47 A52 K53 | K45-S49 PolarHBondContact O-N 3Å; D46-S49 WeakPolarHBondContact O-CB 3.47Å; D46-S49 PolarHBondContact O-N 3.48Å; S47-S49 VanDerWaalsContact C-N 3.31Å; S47-S49 PolarHBondContact O-N 3.48Å; S49-A52 WeakPolarHBondContact O-CB 3.45Å; S49-A52 PolarHBondContact O-N 3.02Å; S49-K53 PolarHBondContact O-N 3.25Å; S49-K53 VanDerWaalsContact O-N 3.16Å |
| 50 | E | 87.3 | Confident | 89.1 | Confident | 36 Ų | 36 | 83.1 Ų | 83.1 | 17% | 0.168 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 176.6 | -65.9 | -54 | 142.5 | 0 | 0 | 112 | D46 S47 A52 K53 V54 Y69 N72 A73 | D46-E50 WeakPolarHBondContact O-CG 3.5Å; D46-E50 PolarHBondContact O-N 3.28Å; S47-E50 PolarHBondContact O-N 3.34Å; E50-A52 VanDerWaalsContact C-N 3.28Å; E50-A52 PolarHBondContact O-N 3.34Å; E50-K53 WeakPolarHBondContact O-CA 3.44Å; E50-K53 WeakPolarHBondContact O-CB 3.42Å; E50-K53 PolarHBondContact O-N 3.45Å; E50-K53 IonicContact OE1-NZ 2.71Å; E50-K53 PolarHBondContact OE1-NZ 3.04Å; E50-K53 WeakPolarHBondContact OE2-CD 3.48Å; E50-K53 IonicContact OE2-NZ 2.7Å; E50-K53 PolarHBondContact OE2-NZ 3.42Å; E50-V54 WeakPolarHBondContact O-CG2 3.35Å; E50-V54 PolarHBondContact O-N 3.41Å; E50-Y69 WeakPolarHBondContact OE2-CD1 3.34Å; E50-N72 HydrophobicContact CG-CB 4.37Å; E50-A73 HydrophobicContact CB-CB 3.8Å |
| 51 | Q | 84.1 | Confident | 88.9 | Confident | 93 Ų | 93 | 91.9 Ų | 91.9 | 44% | 0.435 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -59.1 | -37.5 | 172.9 | -72 | 177.5 | -1.7 | 0 | 0 | 112.7 | S47 K48 K53 V54 K55 A73 | S47-Q51 WeakPolarHBondContact O-CG 3.38Å; S47-Q51 PolarHBondContact O-N 2.98Å; K48-Q51 PolarHBondContact O-N 2.9Å; Q51-K53 VanDerWaalsContact C-N 3.31Å; Q51-K53 PolarHBondContact O-N 3.3Å; Q51-V54 WeakPolarHBondContact O-CB 3.43Å; Q51-V54 PolarHBondContact O-N 2.94Å; Q51-K55 PolarHBondContact O-N 3.07Å; Q51-K55 VanDerWaalsContact O-N 3.14Å; Q51-A73 HydrophobicContact CG-CB 3.96Å |
| 52 | A | 91.1 | Very high | 88.4 | Confident | 47 Ų | 47 | 88.6 Ų | 88.6 | 39% | 0.388 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66 | -34.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | K48 S49 E50 K55 K56 | K48-A52 PolarHBondContact O-N 3.48Å; K48-A52 VanDerWaalsContact O-N 3.07Å; S49-A52 WeakPolarHBondContact O-CB 3.45Å; S49-A52 PolarHBondContact O-N 3.02Å; E50-A52 VanDerWaalsContact C-N 3.28Å; E50-A52 PolarHBondContact O-N 3.34Å; A52-K55 PolarHBondContact O-N 3.2Å; A52-K56 PolarHBondContact O-N 3.44Å |
| 53 | K | 87.8 | Confident | 87.9 | Confident | 76 Ų | 76 | 86.5 Ų | 86.5 | 33% | 0.33 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -68.8 | -38.1 | 173.6 | -63 | 177.6 | -166.2 | 166.7 | 0 | 112.1 | S49 E50 Q51 K55 K56 A57 Y69 | S49-K53 PolarHBondContact O-N 3.25Å; S49-K53 VanDerWaalsContact O-N 3.16Å; E50-K53 WeakPolarHBondContact O-CA 3.44Å; E50-K53 WeakPolarHBondContact O-CB 3.42Å; E50-K53 PolarHBondContact O-N 3.45Å; E50-K53 IonicContact OE1-NZ 2.71Å; E50-K53 PolarHBondContact OE1-NZ 3.04Å; E50-K53 WeakPolarHBondContact OE2-CD 3.48Å; E50-K53 IonicContact OE2-NZ 2.7Å; E50-K53 PolarHBondContact OE2-NZ 3.42Å; Q51-K53 VanDerWaalsContact C-N 3.31Å; Q51-K53 PolarHBondContact O-N 3.3Å; K53-K55 VanDerWaalsContact C-N 3.33Å; K53-K55 PolarHBondContact O-N 3.49Å; K53-K56 PolarHBondContact O-N 2.92Å; K53-A57 WeakPolarHBondContact O-CB 3.38Å; K53-A57 PolarHBondContact O-N 3.2Å; K53-Y69 HydrophobicContact CB-CD1 4.25Å; K53-Y69 HydrophobicContact CB-CD2 3.91Å; K53-Y69 HydrophobicContact CB-CE1 4.48Å; K53-Y69 HydrophobicContact CB-CE2 4.14Å; K53-Y69 HydrophobicContact CB-CG 3.98Å; K53-Y69 HydrophobicContact CD-CD1 4.09Å; K53-Y69 HydrophobicContact CD-CE1 3.86Å |
| 54 | V | 84.3 | Confident | 87.4 | Confident | 24 Ų | 24 | 91.9 Ų | 91.9 | 15% | 0.145 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -55.7 | -49.2 | 172.1 | 177.2 | 0 | 0 | 0 | 0 | 110.3 | E50 Q51 K56 A57 L58 A66 A70 | E50-V54 WeakPolarHBondContact O-CG2 3.35Å; E50-V54 PolarHBondContact O-N 3.41Å; Q51-V54 WeakPolarHBondContact O-CB 3.43Å; Q51-V54 PolarHBondContact O-N 2.94Å; V54-K56 VanDerWaalsContact C-N 3.31Å; V54-K56 PolarHBondContact O-N 2.99Å; V54-A57 PolarHBondContact O-N 3.02Å; V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.32Å; V54-L58 WeakPolarHBondContact O-CG 3.34Å; V54-L58 PolarHBondContact O-N 3.33Å; V54-A66 HydrophobicContact CG1-CB 4.43Å; V54-A70 HydrophobicContact CG2-CB 4.01Å; V54-A70 VanDerWaalsContact CG2-N 3.35Å |
| 55 | K | 83.2 | Confident | 87 | Confident | 147 Ų | 147 | 89.9 Ų | 89.9 | 64% | 0.639 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -57.4 | -42.8 | 178.5 | -69.3 | -179.9 | -178.5 | -176.3 | 0 | 112.2 | Q51 A52 K53 Q59 | Q51-K55 PolarHBondContact O-N 3.07Å; Q51-K55 VanDerWaalsContact O-N 3.14Å; A52-K55 PolarHBondContact O-N 3.2Å; K53-K55 VanDerWaalsContact C-N 3.33Å; K53-K55 PolarHBondContact O-N 3.49Å; K55-Q59 WeakPolarHBondContact O-CG 3.26Å; K55-Q59 PolarHBondContact O-N 3.12Å |
| 56 | K | 88.1 | Confident | 86.2 | Confident | 136 Ų | 136 | 82.8 Ų | 82.8 | 59% | 0.591 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -66.5 | -43.1 | 176.7 | -70.1 | -179.8 | 179.9 | -176.5 | 0 | 112.4 | A52 K53 V54 L58 Q59 Q60 | A52-K56 PolarHBondContact O-N 3.44Å; K53-K56 PolarHBondContact O-N 2.92Å; V54-K56 VanDerWaalsContact C-N 3.31Å; V54-K56 PolarHBondContact O-N 2.99Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 2.91Å; K56-Q59 PolarHBondContact O-N 3.43Å; K56-Q60 WeakPolarHBondContact O-CG 3.43Å; K56-Q60 PolarHBondContact O-N 2.61Å |
| 57 | A | 80.6 | Confident | 85.4 | Confident | 3 Ų | 3 | 86.3 Ų | 86.3 | 3% | 0.025 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -64.6 | -36.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K53 V54 Q60 K61 N62 V65 A66 Y69 | K53-A57 WeakPolarHBondContact O-CB 3.38Å; K53-A57 PolarHBondContact O-N 3.2Å; V54-A57 PolarHBondContact O-N 3.02Å; A57-Q60 CarbonylContact O-C 3.58Å; A57-Q60 PolarHBondContact O-N 3.16Å; A57-K61 PolarHBondContact O-N 3.45Å; A57-N62 PolarHBondContact O-N 2.87Å; A57-N62 VanDerWaalsContact O-N 3.07Å; A57-V65 HydrophobicContact CB-CG1 4.23Å; A57-A66 HydrophobicContact CB-CB 3.87Å; A57-Y69 HydrophobicContact CB-CD2 4.36Å |
| 58 | L | 78.4 | Confident | 85.4 | Confident | 97 Ų | 97 | 89.7 Ų | 89.7 | 51% | 0.508 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 174.2 | -70.9 | 174.3 | 0 | 0 | 0 | 112.6 | V54 K56 Q60 K61 A66 | V54-L58 HydrophobicContact CG1-CD1 3.96Å; V54-L58 HydrophobicContact CG1-CG 4.32Å; V54-L58 WeakPolarHBondContact O-CG 3.34Å; V54-L58 PolarHBondContact O-N 3.33Å; K56-L58 VanDerWaalsContact C-N 3.32Å; K56-L58 PolarHBondContact O-N 2.91Å; L58-Q60 PolarHBondContact O-N 2.95Å; L58-K61 PolarHBondContact O-N 3.21Å; L58-A66 HydrophobicContact CD2-CB 3.81Å; L58-A66 HydrophobicContact CG-CB 4.01Å |
| 59 | Q | 88 | Confident | 84.9 | Confident | 160 Ų | 160 | 87.9 Ų | 87.9 | 75% | 0.748 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -62 | -32.7 | 174.1 | -72.3 | 172.8 | -10.6 | 0 | 0 | 112.3 | K55 K56 K61 | K55-Q59 WeakPolarHBondContact O-CG 3.26Å; K55-Q59 PolarHBondContact O-N 3.12Å; K56-Q59 PolarHBondContact O-N 3.43Å; Q59-K61 PolarHBondContact O-N 2.92Å |
| 60 | Q | 86.6 | Confident | 84.3 | Confident | 150 Ų | 150 | 86.5 Ų | 86.5 | 70% | 0.701 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 4.3 | 175.7 | -65.2 | 172.8 | -2.3 | 0 | 0 | 113.1 | K56 A57 L58 N62 | K56-Q60 WeakPolarHBondContact O-CG 3.43Å; K56-Q60 PolarHBondContact O-N 2.61Å; A57-Q60 CarbonylContact O-C 3.58Å; A57-Q60 PolarHBondContact O-N 3.16Å; L58-Q60 PolarHBondContact O-N 2.95Å; Q60-N62 PolarHBondContact O-N 3.21Å; Q60-N62 VanDerWaalsContact O-N 3.13Å |
| 61 | K | 88 | Confident | 84.2 | Confident | 190 Ų | 190 | 90.5 Ų | 90.5 | 83% | 0.826 | 44% | 0.442 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 22.6 | -175.3 | -60.8 | -173.4 | 177.3 | -177.6 | 0 | 114.3 | A57 L58 Q59 V63 | A57-K61 PolarHBondContact O-N 3.45Å; L58-K61 PolarHBondContact O-N 3.21Å; Q59-K61 PolarHBondContact O-N 2.92Å; K61-V63 PolarHBondContact O-N 2.93Å |
| 62 | N | 85.4 | Confident | 84.1 | Confident | 69 Ų | 69 | 88.4 Ų | 88.4 | 37% | 0.369 | 43% | 0.434 | S | S | . | . | trans | -95.8 | 86.8 | 178 | -167.9 | -21.4 | 0 | 0 | 0 | 110.4 | A57 Q60 V65 A66 | A57-N62 PolarHBondContact O-N 2.87Å; A57-N62 VanDerWaalsContact O-N 3.07Å; Q60-N62 PolarHBondContact O-N 3.21Å; Q60-N62 VanDerWaalsContact O-N 3.13Å; N62-V65 HydrophobicContact CB-CB 4.41Å; N62-V65 VanDerWaalsContact ND2-CG2 3.33Å; N62-V65 WeakPolarHBondContact ND2-CG2 3.22Å; N62-V65 WeakPolarHBondContact OD1-CG2 3.21Å; N62-V65 PolarHBondContact OD1-N 3.39Å; N62-A66 WeakPolarHBondContact O-CB 3.31Å; N62-A66 PolarHBondContact O-N 2.85Å; N62-A66 VanDerWaalsContact O-N 3.11Å | ||
| 63 | V | 84.6 | Confident | 83.6 | Confident | 85 Ų | 85 | 86.4 Ų | 86.4 | 52% | 0.515 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69.3 | -37.1 | -172.9 | -177.2 | 0 | 0 | 0 | 0 | 112.3 | K61 A66 R67 | K61-V63 PolarHBondContact O-N 2.93Å; V63-A66 PolarHBondContact O-N 3.08Å; V63-R67 PolarHBondContact O-N 3.47Å |
| 64 | E | 84.5 | Confident | 83.5 | Confident | 118 Ų | 118 | 87.7 Ų | 87.7 | 55% | 0.551 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -65.4 | -43 | 179.6 | -69 | -58.5 | 138.6 | 0 | 0 | 111.6 | R67 V68 | E64-R67 PolarHBondContact O-N 3.28Å; E64-R67 IonicContact OE1-CZ 3.96Å; E64-R67 IonicContact OE1-NH1 2.94Å; E64-R67 PolarHBondContact OE1-NH1 3.37Å; E64-R67 IonicContact OE2-NH1 3.13Å; E64-R67 PolarHBondContact OE2-NH1 3.16Å; E64-R67 VanDerWaalsContact OE2-NH1 3.13Å; E64-V68 PolarHBondContact O-N 3.15Å |
| 65 | V | 82.9 | Confident | 83.8 | Confident | 57 Ų | 57 | 92.9 Ų | 92.9 | 35% | 0.345 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -68.5 | -36.6 | 175.5 | 173 | 0 | 0 | 0 | 0 | 111.7 | A57 N62 R67 V68 Y69 | A57-V65 HydrophobicContact CB-CG1 4.23Å; N62-V65 HydrophobicContact CB-CB 4.41Å; N62-V65 VanDerWaalsContact ND2-CG2 3.33Å; N62-V65 WeakPolarHBondContact ND2-CG2 3.22Å; N62-V65 WeakPolarHBondContact OD1-CG2 3.21Å; N62-V65 PolarHBondContact OD1-N 3.39Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 3.13Å; V65-V68 PolarHBondContact O-N 2.96Å; V65-Y69 HydrophobicContact CG1-CD2 3.74Å; V65-Y69 HydrophobicContact CG1-CE2 3.29Å; V65-Y69 VanDerWaalsContact O-CD2 3.27Å; V65-Y69 WeakPolarHBondContact O-CD2 3.2Å; V65-Y69 PolarHBondContact O-N 2.71Å |
| 66 | A | 78.2 | Confident | 84 | Confident | 6 Ų | 6 | 88 Ų | 88 | 5% | 0.05 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.8 | -38.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V54 A57 L58 N62 V63 Y69 A70 | V54-A66 HydrophobicContact CG1-CB 4.43Å; A57-A66 HydrophobicContact CB-CB 3.87Å; L58-A66 HydrophobicContact CD2-CB 3.81Å; L58-A66 HydrophobicContact CG-CB 4.01Å; N62-A66 WeakPolarHBondContact O-CB 3.31Å; N62-A66 PolarHBondContact O-N 2.85Å; N62-A66 VanDerWaalsContact O-N 3.11Å; V63-A66 PolarHBondContact O-N 3.08Å; A66-Y69 PolarHBondContact O-N 3.49Å; A66-A70 WeakPolarHBondContact O-CB 3.26Å; A66-A70 PolarHBondContact O-N 2.95Å |
| 67 | R | 78.6 | Confident | 83.8 | Confident | 131 Ų | 131 | 87.1 Ų | 87.1 | 49% | 0.494 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.4 | -47 | 176.6 | -173.2 | -176.8 | -76.7 | 138.3 | -4.9 | 111.5 | V63 E64 V65 Y69 A70 E71 | V63-R67 PolarHBondContact O-N 3.47Å; E64-R67 PolarHBondContact O-N 3.28Å; E64-R67 IonicContact OE1-CZ 3.96Å; E64-R67 IonicContact OE1-NH1 2.94Å; E64-R67 PolarHBondContact OE1-NH1 3.37Å; E64-R67 IonicContact OE2-NH1 3.13Å; E64-R67 PolarHBondContact OE2-NH1 3.16Å; E64-R67 VanDerWaalsContact OE2-NH1 3.13Å; V65-R67 VanDerWaalsContact C-N 3.32Å; V65-R67 PolarHBondContact O-N 3.13Å; R67-Y69 PolarHBondContact O-N 3.49Å; R67-A70 WeakPolarHBondContact O-CB 3.43Å; R67-A70 PolarHBondContact O-N 3.36Å; R67-A70 VanDerWaalsContact O-N 3.15Å; R67-E71 PolarHBondContact O-N 2.85Å |
| 68 | V | 88.3 | Confident | 83.8 | Confident | 77 Ų | 77 | 91.3 Ų | 91.3 | 47% | 0.467 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -62.2 | -41.2 | 178.4 | 176.3 | 0 | 0 | 0 | 0 | 112.2 | E64 V65 N72 | E64-V68 PolarHBondContact O-N 3.15Å; V65-V68 PolarHBondContact O-N 2.96Å; V68-N72 PolarHBondContact O-N 3.24Å; V68-N72 VanDerWaalsContact O-N 3.13Å; V68-N72 PolarHBondContact O-ND2 2.92Å; V68-N72 VanDerWaalsContact O-ND2 3.08Å |
| 69 | Y | 80.9 | Confident | 84.2 | Confident | 81 Ų | 81 | 90.7 Ų | 90.7 | 32% | 0.318 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -68.3 | -34.4 | 175.4 | -70 | -47.5 | 0 | 0 | 0 | 112.5 | E50 K53 A57 V65 A66 R67 N72 A73 | E50-Y69 WeakPolarHBondContact OE2-CD1 3.34Å; K53-Y69 HydrophobicContact CB-CD1 4.25Å; K53-Y69 HydrophobicContact CB-CD2 3.91Å; K53-Y69 HydrophobicContact CB-CE1 4.48Å; K53-Y69 HydrophobicContact CB-CE2 4.14Å; K53-Y69 HydrophobicContact CB-CG 3.98Å; K53-Y69 HydrophobicContact CD-CD1 4.09Å; K53-Y69 HydrophobicContact CD-CE1 3.86Å; A57-Y69 HydrophobicContact CB-CD2 4.36Å; V65-Y69 HydrophobicContact CG1-CD2 3.74Å; V65-Y69 HydrophobicContact CG1-CE2 3.29Å; V65-Y69 VanDerWaalsContact O-CD2 3.27Å; V65-Y69 WeakPolarHBondContact O-CD2 3.2Å; V65-Y69 PolarHBondContact O-N 2.71Å; A66-Y69 PolarHBondContact O-N 3.49Å; R67-Y69 PolarHBondContact O-N 3.49Å; Y69-N72 PolarHBondContact O-N 3.38Å; Y69-A73 WeakPolarHBondContact O-CB 3.46Å; Y69-A73 PolarHBondContact O-N 3.32Å |
| 70 | A | 79.2 | Confident | 84 | Confident | 34 Ų | 34 | 83.5 Ų | 83.5 | 28% | 0.281 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.1 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | V54 A66 R67 N72 A73 I74 | V54-A70 HydrophobicContact CG2-CB 4.01Å; V54-A70 VanDerWaalsContact CG2-N 3.35Å; A66-A70 WeakPolarHBondContact O-CB 3.26Å; A66-A70 PolarHBondContact O-N 2.95Å; R67-A70 WeakPolarHBondContact O-CB 3.43Å; R67-A70 PolarHBondContact O-N 3.36Å; R67-A70 VanDerWaalsContact O-N 3.15Å; A70-N72 VanDerWaalsContact C-N 3.33Å; A70-N72 PolarHBondContact O-N 3.45Å; A70-A73 WeakPolarHBondContact O-CB 3.4Å; A70-A73 PolarHBondContact O-N 3.29Å; A70-I74 WeakPolarHBondContact O-CG1 3.4Å; A70-I74 PolarHBondContact O-N 3.38Å |
| 71 | E | 84.9 | Confident | 83.8 | Confident | 120 Ų | 120 | 80.3 Ų | 80.3 | 56% | 0.561 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -58.4 | -44.7 | 174 | -74 | 175.1 | -166.1 | 0 | 0 | 111.6 | R67 A73 I74 R75 | R67-E71 PolarHBondContact O-N 2.85Å; E71-A73 VanDerWaalsContact C-N 3.34Å; E71-A73 PolarHBondContact O-N 2.94Å; E71-I74 PolarHBondContact O-N 2.72Å; E71-R75 WeakPolarHBondContact O-CB 3.44Å; E71-R75 PolarHBondContact O-N 2.93Å |
| 72 | N | 83.2 | Confident | 83.6 | Confident | 49 Ų | 49 | 75.3 Ų | 75.3 | 26% | 0.262 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 175.6 | -82.4 | -49.1 | 0 | 0 | 0 | 112.8 | E50 V68 Y69 A70 R75 K76 | E50-N72 HydrophobicContact CG-CB 4.37Å; V68-N72 PolarHBondContact O-N 3.24Å; V68-N72 VanDerWaalsContact O-N 3.13Å; V68-N72 PolarHBondContact O-ND2 2.92Å; V68-N72 VanDerWaalsContact O-ND2 3.08Å; Y69-N72 PolarHBondContact O-N 3.38Å; A70-N72 VanDerWaalsContact C-N 3.33Å; A70-N72 PolarHBondContact O-N 3.45Å; N72-R75 PolarHBondContact O-N 3.17Å; N72-R75 PolarHBondContact OD1-NH2 2.94Å; N72-R75 VanDerWaalsContact OD1-NH2 3.13Å; N72-K76 WeakPolarHBondContact O-CB 3.34Å; N72-K76 WeakPolarHBondContact O-CG 3.44Å; N72-K76 PolarHBondContact O-N 2.88Å |
| 73 | A | 79.3 | Confident | 83.6 | Confident | 5 Ų | 5 | 73.1 Ų | 73.1 | 4% | 0.041 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.4 | -42.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | S47 E50 Q51 Y69 A70 E71 K77 | S47-A73 PolarHBondContact OG-O 3.17Å; E50-A73 HydrophobicContact CB-CB 3.8Å; Q51-A73 HydrophobicContact CG-CB 3.96Å; Y69-A73 WeakPolarHBondContact O-CB 3.46Å; Y69-A73 PolarHBondContact O-N 3.32Å; A70-A73 WeakPolarHBondContact O-CB 3.4Å; A70-A73 PolarHBondContact O-N 3.29Å; E71-A73 VanDerWaalsContact C-N 3.34Å; E71-A73 PolarHBondContact O-N 2.94Å; A73-K77 WeakPolarHBondContact O-CB 3.23Å; A73-K77 PolarHBondContact O-N 3.06Å |
| 74 | I | 85.5 | Confident | 83.6 | Confident | 103 Ų | 103 | 73.1 Ų | 73.1 | 53% | 0.528 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -66.3 | -47 | 176.9 | -67.3 | 168.8 | 0 | 0 | 0 | 110.2 | A70 E71 K76 K77 N78 | A70-I74 WeakPolarHBondContact O-CG1 3.4Å; A70-I74 PolarHBondContact O-N 3.38Å; E71-I74 PolarHBondContact O-N 2.72Å; I74-K76 VanDerWaalsContact C-N 3.32Å; I74-K76 PolarHBondContact O-N 3.2Å; I74-K77 WeakPolarHBondContact O-CB 3.34Å; I74-K77 PolarHBondContact O-N 3.46Å; I74-K77 VanDerWaalsContact O-N 3.17Å; I74-N78 PolarHBondContact O-N 2.91Å |
| 75 | R | 90.4 | Very high | 83.5 | Confident | 133 Ų | 133 | 74.7 Ų | 74.7 | 50% | 0.502 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56 | -46.8 | 176.9 | -175.7 | 178.6 | 62.7 | 88.3 | -3.7 | 111.6 | E71 N72 N78 E79 | E71-R75 WeakPolarHBondContact O-CB 3.44Å; E71-R75 PolarHBondContact O-N 2.93Å; N72-R75 PolarHBondContact O-N 3.17Å; N72-R75 PolarHBondContact OD1-NH2 2.94Å; N72-R75 VanDerWaalsContact OD1-NH2 3.13Å; R75-N78 PolarHBondContact O-N 2.99Å; R75-E79 WeakPolarHBondContact O-CB 3.46Å; R75-E79 PolarHBondContact O-N 2.8Å |
| 76 | K | 88.8 | Confident | 83.7 | Confident | 43 Ų | 43 | 76.2 Ų | 76.2 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -66.5 | -36.5 | 178.1 | -77.1 | -74.3 | 167.1 | -160.4 | 0 | 113.1 | D46 N72 I74 E79 G80 | D46-K76 HydrophobicContact CB-CD 4.24Å; N72-K76 WeakPolarHBondContact O-CB 3.34Å; N72-K76 WeakPolarHBondContact O-CG 3.44Å; N72-K76 PolarHBondContact O-N 2.88Å; I74-K76 VanDerWaalsContact C-N 3.32Å; I74-K76 PolarHBondContact O-N 3.2Å; K76-E79 WeakPolarHBondContact CD-OE2 3.27Å; K76-E79 WeakPolarHBondContact CE-OE2 3.41Å; K76-E79 IonicContact NZ-OE1 3.5Å; K76-E79 PolarHBondContact NZ-OE1 3.18Å; K76-E79 IonicContact NZ-OE2 3.38Å; K76-E79 PolarHBondContact NZ-OE2 3.43Å; K76-E79 PolarHBondContact O-N 2.87Å; K76-G80 PolarHBondContact O-N 3.45Å |
| 77 | K | 83.2 | Confident | 84.1 | Confident | 118 Ų | 118 | 76 Ų | 76 | 51% | 0.513 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 173.2 | -176.5 | -178.5 | 169.5 | 79.2 | 0 | 111.3 | A73 I74 G80 L81 | A73-K77 WeakPolarHBondContact O-CB 3.23Å; A73-K77 PolarHBondContact O-N 3.06Å; I74-K77 WeakPolarHBondContact O-CB 3.34Å; I74-K77 PolarHBondContact O-N 3.46Å; I74-K77 VanDerWaalsContact O-N 3.17Å; K77-G80 PolarHBondContact O-N 3.26Å; K77-L81 WeakPolarHBondContact O-CG 3.42Å; K77-L81 PolarHBondContact O-N 3.38Å |
| 78 | N | 81.8 | Confident | 84.3 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 49% | 0.492 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 178.5 | -71.9 | -11.3 | 0 | 0 | 0 | 112.4 | I74 R75 G80 L81 N82 | I74-N78 PolarHBondContact O-N 2.91Å; R75-N78 PolarHBondContact O-N 2.99Å; N78-G80 VanDerWaalsContact C-N 3.33Å; N78-G80 PolarHBondContact O-N 2.83Å; N78-L81 PolarHBondContact O-N 2.89Å; N78-N82 WeakPolarHBondContact O-CB 3.47Å; N78-N82 PolarHBondContact O-N 3.34Å |
| 79 | E | 85.8 | Confident | 84.1 | Confident | 84 Ų | 84 | 77.6 Ų | 77.6 | 39% | 0.393 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.5 | -46.5 | 172.2 | -171.7 | -177.2 | 158.8 | 0 | 0 | 111 | R75 K76 N82 C83 | R75-E79 WeakPolarHBondContact O-CB 3.46Å; R75-E79 PolarHBondContact O-N 2.8Å; K76-E79 WeakPolarHBondContact CD-OE2 3.27Å; K76-E79 WeakPolarHBondContact CE-OE2 3.41Å; K76-E79 IonicContact NZ-OE1 3.5Å; K76-E79 PolarHBondContact NZ-OE1 3.18Å; K76-E79 IonicContact NZ-OE2 3.38Å; K76-E79 PolarHBondContact NZ-OE2 3.43Å; K76-E79 PolarHBondContact O-N 2.87Å; E79-N82 PolarHBondContact O-N 3.19Å; E79-C83 PolarHBondContact O-N 3.36Å; E79-C83 PolarHBondContact O-SG 2.82Å |
| 80 | G | 83.4 | Confident | 84.4 | Confident | 8 Ų | 8 | 75 Ų | 75 | 8% | 0.082 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A40 K76 K77 N78 N82 C83 L84 | A40-G80 WeakPolarHBondContact CB-O 3.47Å; K76-G80 PolarHBondContact O-N 3.45Å; K77-G80 PolarHBondContact O-N 3.26Å; N78-G80 VanDerWaalsContact C-N 3.33Å; N78-G80 PolarHBondContact O-N 2.83Å; G80-N82 PolarHBondContact O-N 3.12Å; G80-C83 PolarHBondContact O-N 3.23Å; G80-L84 WeakPolarHBondContact O-CB 3.37Å; G80-L84 PolarHBondContact O-N 3.45Å |
| 81 | L | 82.3 | Confident | 84.6 | Confident | 83 Ų | 83 | 76.7 Ų | 76.7 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 176.7 | -72.9 | 174.7 | 0 | 0 | 0 | 112.2 | K77 N78 L84 R85 | K77-L81 WeakPolarHBondContact O-CG 3.42Å; K77-L81 PolarHBondContact O-N 3.38Å; N78-L81 PolarHBondContact O-N 2.89Å; L81-L84 PolarHBondContact O-N 3.41Å; L81-R85 WeakPolarHBondContact O-CB 3.32Å; L81-R85 PolarHBondContact O-N 2.9Å |
| 82 | N | 84.4 | Confident | 84.5 | Confident | 86 Ų | 86 | 73.3 Ų | 73.3 | 46% | 0.46 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 177.6 | -169.6 | 52.4 | 0 | 0 | 0 | 111.8 | N78 E79 G80 L84 R85 M86 | N78-N82 WeakPolarHBondContact O-CB 3.47Å; N78-N82 PolarHBondContact O-N 3.34Å; E79-N82 PolarHBondContact O-N 3.19Å; G80-N82 PolarHBondContact O-N 3.12Å; N82-L84 PolarHBondContact O-N 3.01Å; N82-R85 PolarHBondContact O-N 2.95Å; N82-M86 WeakPolarHBondContact O-CB 3.47Å; N82-M86 PolarHBondContact O-N 3.23Å |
| 83 | C | 86.4 | Confident | 84.6 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 16% | 0.155 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.1 | -42.6 | 173.9 | -74 | 0 | 0 | 0 | 0 | 112.1 | A40 E79 G80 M86 A87 | A40-C83 HydrophobicContact CB-CB 3.9Å; E79-C83 PolarHBondContact O-N 3.36Å; E79-C83 PolarHBondContact O-SG 2.82Å; G80-C83 PolarHBondContact O-N 3.23Å; C83-M86 PolarHBondContact O-N 3.15Å; C83-A87 WeakPolarHBondContact O-CB 3.35Å; C83-A87 PolarHBondContact O-N 2.85Å |
| 84 | L | 83.6 | Confident | 84.8 | Confident | 84 Ų | 84 | 74.3 Ų | 74.3 | 44% | 0.44 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.2 | -47.2 | 177.9 | -174.1 | 66.6 | 0 | 0 | 0 | 111.3 | A40 G80 L81 N82 M86 A87 S88 | A40-L84 HydrophobicContact CB-CB 4.18Å; G80-L84 WeakPolarHBondContact O-CB 3.37Å; G80-L84 PolarHBondContact O-N 3.45Å; L81-L84 PolarHBondContact O-N 3.41Å; N82-L84 PolarHBondContact O-N 3.01Å; L84-M86 VanDerWaalsContact C-N 3.29Å; L84-M86 PolarHBondContact O-N 2.98Å; L84-A87 WeakPolarHBondContact O-CB 3.5Å; L84-A87 PolarHBondContact O-N 3.47Å; L84-A87 VanDerWaalsContact O-N 3.13Å; L84-S88 PolarHBondContact O-N 3.29Å; L84-S88 PolarHBondContact O-OG 3.44Å |
| 85 | R | 83.3 | Confident | 84.7 | Confident | 151 Ų | 151 | 71.8 Ų | 71.8 | 57% | 0.57 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -59.7 | -41.6 | 176.7 | -169.3 | -177.1 | -64.8 | 121.7 | -3.8 | 111.7 | L81 N82 R89 | L81-R85 WeakPolarHBondContact O-CB 3.32Å; L81-R85 PolarHBondContact O-N 2.9Å; N82-R85 PolarHBondContact O-N 2.95Å; R85-R89 VanDerWaalsContact O-CG 3.31Å; R85-R89 WeakPolarHBondContact O-CG 3.47Å; R85-R89 PolarHBondContact O-N 2.85Å; R85-R89 VanDerWaalsContact O-N 3.15Å |
| 86 | M | 86.5 | Confident | 84.3 | Confident | 89 Ų | 89 | 72.4 Ų | 72.4 | 44% | 0.438 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -65.1 | -42.7 | 175.5 | -165.1 | 106.2 | 74.3 | 0 | 0 | 111.4 | L36 N82 C83 L84 S88 R89 V90 | L36-M86 HydrophobicContact CD1-CB 4.07Å; L36-M86 HydrophobicContact CD1-CG 3.74Å; N82-M86 WeakPolarHBondContact O-CB 3.47Å; N82-M86 PolarHBondContact O-N 3.23Å; C83-M86 PolarHBondContact O-N 3.15Å; L84-M86 VanDerWaalsContact C-N 3.29Å; L84-M86 PolarHBondContact O-N 2.98Å; M86-S88 PolarHBondContact O-N 3.06Å; M86-R89 PolarHBondContact O-N 3.38Å; M86-V90 HydrophobicContact CG-CG2 4.45Å; M86-V90 VanDerWaalsContact O-CG2 3.26Å; M86-V90 WeakPolarHBondContact O-CG2 3.41Å; M86-V90 PolarHBondContact O-N 2.89Å |
| 87 | A | 86.3 | Confident | 84 | Confident | 1 Ų | 1 | 71.9 Ų | 71.9 | 1% | 0.008 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -58.5 | -48.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | L36 E37 C83 L84 R89 V90 D91 | L36-A87 HydrophobicContact CB-CB 3.71Å; E37-A87 HydrophobicContact CG-CB 3.96Å; C83-A87 WeakPolarHBondContact O-CB 3.35Å; C83-A87 PolarHBondContact O-N 2.85Å; L84-A87 WeakPolarHBondContact O-CB 3.5Å; L84-A87 PolarHBondContact O-N 3.47Å; L84-A87 VanDerWaalsContact O-N 3.13Å; A87-R89 VanDerWaalsContact C-N 3.33Å; A87-R89 PolarHBondContact O-N 2.99Å; A87-V90 PolarHBondContact O-N 3.37Å; A87-D91 WeakPolarHBondContact O-CB 3.41Å; A87-D91 PolarHBondContact O-N 3.19Å |
| 88 | S | 83.6 | Confident | 84 | Confident | 65 Ų | 65 | 69.3 Ų | 69.3 | 46% | 0.455 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 177.9 | -55.4 | 0 | 0 | 0 | 0 | 112.3 | L84 M86 D91 A92 | L84-S88 PolarHBondContact O-N 3.29Å; L84-S88 PolarHBondContact O-OG 3.44Å; M86-S88 PolarHBondContact O-N 3.06Å; S88-D91 PolarHBondContact O-N 3.5Å; S88-A92 WeakPolarHBondContact O-CB 3.43Å; S88-A92 PolarHBondContact O-N 2.99Å |
| 89 | R | 83.6 | Confident | 84.1 | Confident | 177 Ų | 177 | 66.5 Ų | 66.5 | 67% | 0.668 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -65.1 | -43 | 176.2 | -70.3 | 175.7 | 74.7 | -173.2 | 5.3 | 111.8 | R85 M86 A87 A92 V93 | R85-R89 VanDerWaalsContact O-CG 3.31Å; R85-R89 WeakPolarHBondContact O-CG 3.47Å; R85-R89 PolarHBondContact O-N 2.85Å; R85-R89 VanDerWaalsContact O-N 3.15Å; M86-R89 PolarHBondContact O-N 3.38Å; A87-R89 VanDerWaalsContact C-N 3.33Å; A87-R89 PolarHBondContact O-N 2.99Å; R89-A92 PolarHBondContact O-N 3.24Å; R89-V93 WeakPolarHBondContact O-CG2 3.41Å; R89-V93 PolarHBondContact O-N 3.42Å; R89-V93 VanDerWaalsContact O-N 3.08Å |
| 90 | V | 87.6 | Confident | 83.8 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 16% | 0.158 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -66.4 | -40.2 | 178.7 | 173.6 | 0 | 0 | 0 | 0 | 110.8 | L29 A33 L36 M86 A87 V93 A94 | L29-V90 HydrophobicContact CB-CG1 4.38Å; L29-V90 HydrophobicContact CD2-CG1 4.07Å; L29-V90 WeakPolarHBondContact O-CG1 3.4Å; A33-V90 HydrophobicContact CB-CB 4.36Å; A33-V90 HydrophobicContact CB-CG1 4.02Å; L36-V90 HydrophobicContact CD1-CG2 4.27Å; M86-V90 HydrophobicContact CG-CG2 4.45Å; M86-V90 VanDerWaalsContact O-CG2 3.26Å; M86-V90 WeakPolarHBondContact O-CG2 3.41Å; M86-V90 PolarHBondContact O-N 2.89Å; A87-V90 PolarHBondContact O-N 3.37Å; V90-V93 PolarHBondContact O-N 3.47Å; V90-A94 WeakPolarHBondContact O-CB 3.48Å; V90-A94 PolarHBondContact O-N 3.46Å |
| 91 | D | 83.6 | Confident | 83.8 | Confident | 70 Ų | 70 | 65.6 Ų | 65.6 | 37% | 0.374 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -39.1 | 177.4 | -168.9 | 60.9 | 0 | 0 | 0 | 112.4 | A33 A87 S88 V93 A94 S95 | A33-D91 HydrophobicContact CB-CB 4.16Å; A87-D91 WeakPolarHBondContact O-CB 3.41Å; A87-D91 PolarHBondContact O-N 3.19Å; S88-D91 PolarHBondContact O-N 3.5Å; D91-V93 VanDerWaalsContact C-N 3.34Å; D91-V93 PolarHBondContact O-N 3.05Å; D91-A94 WeakPolarHBondContact O-CB 3.27Å; D91-A94 PolarHBondContact O-N 2.68Å; D91-S95 WeakPolarHBondContact O-CB 3.24Å; D91-S95 PolarHBondContact O-N 3.49Å; D91-S95 PolarHBondContact O-OG 2.95Å; D91-S95 VanDerWaalsContact O-OG 3.06Å |
| 92 | A | 82.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 63.7 Ų | 63.7 | 41% | 0.413 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | S88 R89 S95 K96 | S88-A92 WeakPolarHBondContact O-CB 3.43Å; S88-A92 PolarHBondContact O-N 2.99Å; R89-A92 PolarHBondContact O-N 3.24Å; A92-S95 PolarHBondContact O-N 3.06Å; A92-K96 WeakPolarHBondContact O-CG 3.4Å; A92-K96 PolarHBondContact O-N 3.02Å; A92-K96 VanDerWaalsContact O-N 3.15Å |
| 93 | V | 84.1 | Confident | 83.6 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 46% | 0.455 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.1 | -43.4 | 174.5 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | L29 R89 V90 D91 S95 K96 V97 | L29-V93 HydrophobicContact CD1-CG1 4.21Å; R89-V93 WeakPolarHBondContact O-CG2 3.41Å; R89-V93 PolarHBondContact O-N 3.42Å; R89-V93 VanDerWaalsContact O-N 3.08Å; V90-V93 PolarHBondContact O-N 3.47Å; D91-V93 VanDerWaalsContact C-N 3.34Å; D91-V93 PolarHBondContact O-N 3.05Å; V93-S95 VanDerWaalsContact C-N 3.28Å; V93-S95 PolarHBondContact O-N 2.9Å; V93-K96 PolarHBondContact O-N 2.98Å; V93-V97 HydrophobicContact CG1-CG2 4.42Å; V93-V97 WeakPolarHBondContact O-CG2 3.46Å; V93-V97 PolarHBondContact O-N 3.43Å |
| 94 | A | 84.9 | Confident | 83.4 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.3 | -39.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L26 L29 K30 V90 D91 V97 Q98 | L26-A94 WeakPolarHBondContact CD1-O 3.14Å; L29-A94 HydrophobicContact CB-CB 3.88Å; K30-A94 HydrophobicContact CG-CB 3.97Å; V90-A94 WeakPolarHBondContact O-CB 3.48Å; V90-A94 PolarHBondContact O-N 3.46Å; D91-A94 WeakPolarHBondContact O-CB 3.27Å; D91-A94 PolarHBondContact O-N 2.68Å; A94-V97 PolarHBondContact O-N 2.93Å; A94-Q98 WeakPolarHBondContact O-CB 3.47Å; A94-Q98 PolarHBondContact O-N 2.9Å |
| 95 | S | 82.9 | Confident | 83.3 | Confident | 49 Ų | 49 | 64 Ų | 64 | 34% | 0.343 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 176.3 | -66.2 | 0 | 0 | 0 | 0 | 112 | D91 A92 V93 V97 Q98 T99 | D91-S95 WeakPolarHBondContact O-CB 3.24Å; D91-S95 PolarHBondContact O-N 3.49Å; D91-S95 PolarHBondContact O-OG 2.95Å; D91-S95 VanDerWaalsContact O-OG 3.06Å; A92-S95 PolarHBondContact O-N 3.06Å; V93-S95 VanDerWaalsContact C-N 3.28Å; V93-S95 PolarHBondContact O-N 2.9Å; S95-V97 VanDerWaalsContact C-N 3.32Å; S95-V97 PolarHBondContact O-N 3.33Å; S95-Q98 WeakPolarHBondContact O-CB 3.18Å; S95-Q98 PolarHBondContact O-N 3.36Å; S95-T99 PolarHBondContact O-N 3.45Å; S95-T99 PolarHBondContact O-OG1 2.87Å |
| 96 | K | 81.1 | Confident | 83.3 | Confident | 147 Ų | 147 | 57.9 Ų | 57.9 | 64% | 0.639 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.3 | -38.8 | 173.8 | -68.5 | 178.7 | -178.4 | -173.1 | 0 | 112.5 | A92 V93 T99 A100 | A92-K96 WeakPolarHBondContact O-CG 3.4Å; A92-K96 PolarHBondContact O-N 3.02Å; A92-K96 VanDerWaalsContact O-N 3.15Å; V93-K96 PolarHBondContact O-N 2.98Å; K96-T99 WeakPolarHBondContact O-CB 3.26Å; K96-T99 PolarHBondContact O-N 2.95Å; K96-A100 PolarHBondContact O-N 3.22Å |
| 97 | V | 84.3 | Confident | 83.2 | Confident | 31 Ų | 31 | 57.3 Ų | 57.3 | 19% | 0.188 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.9 | -39.6 | 175 | 175.7 | 0 | 0 | 0 | 0 | 110.8 | L22 L26 L29 V93 A94 S95 T99 A100 V101 | L22-V97 HydrophobicContact CG-CG1 4.44Å; L26-V97 HydrophobicContact CB-CG1 4.06Å; L26-V97 HydrophobicContact CD1-CB 4.23Å; L26-V97 HydrophobicContact CD1-CG1 4.1Å; L29-V97 HydrophobicContact CD1-CG2 4.16Å; V93-V97 HydrophobicContact CG1-CG2 4.42Å; V93-V97 WeakPolarHBondContact O-CG2 3.46Å; V93-V97 PolarHBondContact O-N 3.43Å; A94-V97 PolarHBondContact O-N 2.93Å; S95-V97 VanDerWaalsContact C-N 3.32Å; S95-V97 PolarHBondContact O-N 3.33Å; V97-T99 VanDerWaalsContact C-N 3.34Å; V97-T99 PolarHBondContact O-N 3.32Å; V97-A100 PolarHBondContact O-N 2.84Å; V97-V101 HydrophobicContact CG1-CG2 4.37Å; V97-V101 WeakPolarHBondContact O-CG2 3.27Å; V97-V101 PolarHBondContact O-N 3.43Å |
| 98 | Q | 83.3 | Confident | 83.2 | Confident | 65 Ų | 65 | 63.7 Ų | 63.7 | 30% | 0.304 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 175.6 | -176.5 | 70.9 | 64.3 | 0 | 0 | 110.8 | L26 A94 S95 A100 V101 T102 | L26-Q98 HydrophobicContact CD1-CB 3.73Å; A94-Q98 WeakPolarHBondContact O-CB 3.47Å; A94-Q98 PolarHBondContact O-N 2.9Å; S95-Q98 WeakPolarHBondContact O-CB 3.18Å; S95-Q98 PolarHBondContact O-N 3.36Å; Q98-A100 VanDerWaalsContact C-N 3.32Å; Q98-A100 PolarHBondContact O-N 3.42Å; Q98-V101 PolarHBondContact O-N 2.92Å; Q98-T102 PolarHBondContact O-N 3.48Å; Q98-T102 PolarHBondContact O-OG1 3.45Å; Q98-T102 VanDerWaalsContact O-OG1 3.08Å |
| 99 | T | 82 | Confident | 83.2 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 20% | 0.196 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -54.1 | -49.4 | 173.9 | -63.4 | 0 | 0 | 0 | 0 | 111.4 | S95 K96 V97 V101 T102 M103 M150 | S95-T99 PolarHBondContact O-N 3.45Å; S95-T99 PolarHBondContact O-OG1 2.87Å; K96-T99 WeakPolarHBondContact O-CB 3.26Å; K96-T99 PolarHBondContact O-N 2.95Å; V97-T99 VanDerWaalsContact C-N 3.34Å; V97-T99 PolarHBondContact O-N 3.32Å; T99-V101 VanDerWaalsContact C-N 3.34Å; T99-V101 PolarHBondContact O-N 3.39Å; T99-T102 PolarHBondContact O-N 2.87Å; T99-M103 VanDerWaalsContact O-CB 3.3Å; T99-M103 WeakPolarHBondContact O-CB 3.16Å; T99-M103 PolarHBondContact O-N 2.91Å; T99-M150 HydrophobicContact CG2-CE 3.12Å; T99-M150 HydrophobicContact CG2-SD 3.71Å; T99-M150 VanDerWaalsContact OG1-CE 3.23Å; T99-M150 WeakPolarHBondContact OG1-CE 3.46Å; T99-M150 PolarHBondContact OG1-SD 2.99Å |
| 100 | A | 79.9 | Confident | 83.2 | Confident | 48 Ų | 48 | 56.9 Ų | 56.9 | 40% | 0.397 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K96 V97 Q98 K104 | K96-A100 PolarHBondContact O-N 3.22Å; V97-A100 PolarHBondContact O-N 2.84Å; Q98-A100 VanDerWaalsContact C-N 3.32Å; Q98-A100 PolarHBondContact O-N 3.42Å; A100-K104 VanDerWaalsContact O-CB 3.25Å; A100-K104 WeakPolarHBondContact O-CB 3.36Å; A100-K104 PolarHBondContact O-N 2.88Å |
| 101 | V | 82.9 | Confident | 83.2 | Confident | 26 Ų | 26 | 58.6 Ų | 58.6 | 16% | 0.158 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 175.2 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | L22 V97 Q98 T99 K104 A105 | L22-V101 HydrophobicContact CB-CG2 4.03Å; L22-V101 HydrophobicContact CD2-CG2 3.8Å; L22-V101 HydrophobicContact CG-CG2 4.11Å; V97-V101 HydrophobicContact CG1-CG2 4.37Å; V97-V101 WeakPolarHBondContact O-CG2 3.27Å; V97-V101 PolarHBondContact O-N 3.43Å; Q98-V101 PolarHBondContact O-N 2.92Å; T99-V101 VanDerWaalsContact C-N 3.34Å; T99-V101 PolarHBondContact O-N 3.39Å; V101-K104 PolarHBondContact O-N 3.32Å; V101-A105 PolarHBondContact O-N 3.2Å; V101-A105 VanDerWaalsContact O-N 3.09Å |
| 102 | T | 81.6 | Confident | 83.3 | Confident | 42 Ų | 42 | 60.7 Ų | 60.7 | 26% | 0.258 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -47.9 | 178.5 | -58.3 | 0 | 0 | 0 | 0 | 111 | Q98 T99 K104 A105 V106 | Q98-T102 PolarHBondContact O-N 3.48Å; Q98-T102 PolarHBondContact O-OG1 3.45Å; Q98-T102 VanDerWaalsContact O-OG1 3.08Å; T99-T102 PolarHBondContact O-N 2.87Å; T102-K104 VanDerWaalsContact C-N 3.3Å; T102-K104 PolarHBondContact O-N 2.91Å; T102-A105 WeakPolarHBondContact O-CB 3.2Å; T102-A105 PolarHBondContact O-N 3.1Å; T102-V106 WeakPolarHBondContact O-CG2 3.21Å; T102-V106 PolarHBondContact O-N 3.09Å |
| 103 | M | 81.2 | Confident | 83.5 | Confident | 82 Ų | 82 | 59.1 Ų | 59.1 | 40% | 0.404 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.4 | -35.4 | -179.6 | -168 | 61.3 | 81.1 | 0 | 0 | 112 | T99 V106 T107 L143 | T99-M103 VanDerWaalsContact O-CB 3.3Å; T99-M103 WeakPolarHBondContact O-CB 3.16Å; T99-M103 PolarHBondContact O-N 2.91Å; M103-V106 PolarHBondContact O-N 3.33Å; M103-T107 WeakPolarHBondContact O-CB 3.42Å; M103-T107 PolarHBondContact O-N 3.13Å; M103-T107 PolarHBondContact O-OG1 3.45Å; M103-L143 HydrophobicContact CE-CD1 4.47Å; M103-L143 HydrophobicContact SD-CD1 4.01Å |
| 104 | K | 82.9 | Confident | 83.6 | Confident | 68 Ų | 68 | 58.8 Ų | 58.8 | 30% | 0.296 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 172.3 | -175.2 | 177.4 | -179.1 | 179.6 | 0 | 111.9 | A100 V101 T102 K108 | A100-K104 VanDerWaalsContact O-CB 3.25Å; A100-K104 WeakPolarHBondContact O-CB 3.36Å; A100-K104 PolarHBondContact O-N 2.88Å; V101-K104 PolarHBondContact O-N 3.32Å; T102-K104 VanDerWaalsContact C-N 3.3Å; T102-K104 PolarHBondContact O-N 2.91Å; K104-K108 PolarHBondContact O-N 2.81Å |
| 105 | A | 82.2 | Confident | 83.7 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 41% | 0.413 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -65.2 | -43 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V101 T102 K108 N109 | V101-A105 PolarHBondContact O-N 3.2Å; V101-A105 VanDerWaalsContact O-N 3.09Å; T102-A105 WeakPolarHBondContact O-CB 3.2Å; T102-A105 PolarHBondContact O-N 3.1Å; A105-K108 WeakPolarHBondContact O-CB 3.26Å; A105-K108 PolarHBondContact O-N 3.04Å; A105-N109 PolarHBondContact O-N 3.35Å |
| 106 | V | 82.4 | Confident | 83.8 | Confident | 23 Ų | 23 | 65.3 Ų | 65.3 | 14% | 0.139 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.9 | -44.2 | 176.2 | -178.7 | 0 | 0 | 0 | 0 | 111.4 | T102 M103 K108 N109 M110 L143 | T102-V106 WeakPolarHBondContact O-CG2 3.21Å; T102-V106 PolarHBondContact O-N 3.09Å; M103-V106 PolarHBondContact O-N 3.33Å; V106-K108 VanDerWaalsContact C-N 3.27Å; V106-K108 PolarHBondContact O-N 3.5Å; V106-N109 PolarHBondContact O-N 2.68Å; V106-N109 VanDerWaalsContact O-N 3.09Å; V106-M110 HydrophobicContact CG1-CG 4.39Å; V106-M110 WeakPolarHBondContact O-CG 3.5Å; V106-M110 PolarHBondContact O-N 2.82Å; V106-L143 HydrophobicContact CB-CD1 4.24Å; V106-L143 HydrophobicContact CG1-CB 4.35Å; V106-L143 HydrophobicContact CG1-CD1 3.46Å; V106-L143 VanDerWaalsContact CG1-CD1 3.46Å; V106-L143 HydrophobicContact CG1-CG 4.43Å |
| 107 | T | 84 | Confident | 83.9 | Confident | 77 Ų | 77 | 60.1 Ų | 60.1 | 47% | 0.472 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -58.5 | -39.8 | 175.8 | -56.8 | 0 | 0 | 0 | 0 | 111.8 | M103 M110 T111 | M103-T107 WeakPolarHBondContact O-CB 3.42Å; M103-T107 PolarHBondContact O-N 3.13Å; M103-T107 PolarHBondContact O-OG1 3.45Å; T107-M110 PolarHBondContact O-N 3.01Å; T107-T111 WeakPolarHBondContact O-CB 3.25Å; T107-T111 PolarHBondContact O-N 2.96Å; T107-T111 PolarHBondContact O-OG1 3.18Å |
| 108 | K | 86.1 | Confident | 83.9 | Confident | 135 Ų | 135 | 64.3 Ų | 64.3 | 59% | 0.587 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.4 | -43.7 | 175.4 | -174.4 | -177.4 | 177.6 | -175 | 0 | 111.6 | K104 A105 V106 T111 Q112 | K104-K108 PolarHBondContact O-N 2.81Å; A105-K108 WeakPolarHBondContact O-CB 3.26Å; A105-K108 PolarHBondContact O-N 3.04Å; V106-K108 VanDerWaalsContact C-N 3.27Å; V106-K108 PolarHBondContact O-N 3.5Å; K108-T111 PolarHBondContact O-N 2.91Å; K108-Q112 WeakPolarHBondContact O-CG 3.21Å; K108-Q112 PolarHBondContact O-N 3.07Å; K108-Q112 VanDerWaalsContact O-N 3.12Å |
| 109 | N | 83.4 | Confident | 84 | Confident | 62 Ų | 62 | 69.5 Ų | 69.5 | 33% | 0.332 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -64.6 | -42.8 | 176.7 | -68.3 | -17.4 | 0 | 0 | 0 | 111.4 | A105 V106 T111 Q112 V113 | A105-N109 PolarHBondContact O-N 3.35Å; V106-N109 PolarHBondContact O-N 2.68Å; V106-N109 VanDerWaalsContact O-N 3.09Å; N109-T111 VanDerWaalsContact C-N 3.32Å; N109-T111 PolarHBondContact O-N 3.43Å; N109-Q112 WeakPolarHBondContact O-CB 3.34Å; N109-Q112 PolarHBondContact O-N 3.44Å; N109-Q112 VanDerWaalsContact O-N 3.09Å; N109-V113 WeakPolarHBondContact O-CG2 3.45Å; N109-V113 PolarHBondContact O-N 3.47Å |
| 110 | M | 84.4 | Confident | 83.9 | Confident | 36 Ų | 36 | 68.2 Ų | 68.2 | 18% | 0.177 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -57.9 | -42.9 | 173.1 | -73.9 | -61.9 | 100.3 | 0 | 0 | 112.5 | V106 T107 Q112 V113 T114 F136 Q139 | V106-M110 HydrophobicContact CG1-CG 4.39Å; V106-M110 WeakPolarHBondContact O-CG 3.5Å; V106-M110 PolarHBondContact O-N 2.82Å; T107-M110 PolarHBondContact O-N 3.01Å; M110-Q112 VanDerWaalsContact C-N 3.26Å; M110-Q112 PolarHBondContact O-N 2.86Å; M110-V113 PolarHBondContact O-N 2.6Å; M110-T114 WeakPolarHBondContact O-CB 3.31Å; M110-T114 VanDerWaalsContact O-CG2 3.31Å; M110-T114 WeakPolarHBondContact O-CG2 3.5Å; M110-T114 PolarHBondContact O-N 3.18Å; M110-T114 PolarHBondContact O-OG1 3.42Å; M110-F136 HydrophobicContact SD-CE2 4.43Å; M110-Q139 HydrophobicContact CE-CB 3.17Å; M110-Q139 HydrophobicContact CE-CG 4.1Å |
| 111 | T | 87.7 | Confident | 83.9 | Confident | 62 Ų | 62 | 70.3 Ų | 70.3 | 38% | 0.38 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.6 | -33.4 | 176.8 | -54.3 | 0 | 0 | 0 | 0 | 111.8 | T107 K108 N109 T114 K115 | T107-T111 WeakPolarHBondContact O-CB 3.25Å; T107-T111 PolarHBondContact O-N 2.96Å; T107-T111 PolarHBondContact O-OG1 3.18Å; K108-T111 PolarHBondContact O-N 2.91Å; N109-T111 VanDerWaalsContact C-N 3.32Å; N109-T111 PolarHBondContact O-N 3.43Å; T111-T114 WeakPolarHBondContact CA-OG1 3.44Å; T111-T114 PolarHBondContact O-OG1 3.32Å; T111-T114 VanDerWaalsContact O-OG1 3.08Å; T111-K115 HydrophobicContact CG2-CD 4.43Å; T111-K115 WeakPolarHBondContact O-CB 3.35Å; T111-K115 VanDerWaalsContact O-CG 3.23Å; T111-K115 WeakPolarHBondContact O-CG 3.43Å; T111-K115 PolarHBondContact O-N 3.26Å |
| 112 | Q | 86.4 | Confident | 83.8 | Confident | 114 Ų | 114 | 72.5 Ų | 72.5 | 53% | 0.533 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -74.5 | -42.2 | 176.8 | -71.9 | 179.4 | -16.4 | 0 | 0 | 112.2 | K108 N109 M110 K115 A116 | K108-Q112 WeakPolarHBondContact O-CG 3.21Å; K108-Q112 PolarHBondContact O-N 3.07Å; K108-Q112 VanDerWaalsContact O-N 3.12Å; N109-Q112 WeakPolarHBondContact O-CB 3.34Å; N109-Q112 PolarHBondContact O-N 3.44Å; N109-Q112 VanDerWaalsContact O-N 3.09Å; M110-Q112 VanDerWaalsContact C-N 3.26Å; M110-Q112 PolarHBondContact O-N 2.86Å; Q112-K115 PolarHBondContact O-N 3.2Å; Q112-A116 WeakPolarHBondContact O-CB 3.47Å; Q112-A116 PolarHBondContact O-N 3.42Å |
| 113 | V | 85.9 | Confident | 83.7 | Confident | 18 Ų | 18 | 73.6 Ų | 73.6 | 11% | 0.109 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 110.8 | N109 M110 K115 A116 L117 V132 F136 Q139 | N109-V113 WeakPolarHBondContact O-CG2 3.45Å; N109-V113 PolarHBondContact O-N 3.47Å; M110-V113 PolarHBondContact O-N 2.6Å; V113-K115 PolarHBondContact O-N 2.98Å; V113-A116 WeakPolarHBondContact O-CB 3.42Å; V113-A116 PolarHBondContact O-N 3.48Å; V113-A116 VanDerWaalsContact O-N 3.14Å; V113-L117 PolarHBondContact O-N 3Å; V113-V132 HydrophobicContact CG1-CG1 4.27Å; V113-F136 HydrophobicContact CG1-CB 3.88Å; V113-F136 HydrophobicContact CG1-CD2 4Å; V113-F136 HydrophobicContact CG1-CG 4.45Å; V113-Q139 HydrophobicContact CG2-CG 4.29Å |
| 114 | T | 85.4 | Confident | 83.1 | Confident | 67 Ų | 67 | 78 Ų | 78 | 41% | 0.411 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -62.6 | -39.8 | 177.5 | 49 | 0 | 0 | 0 | 0 | 112.5 | M110 T111 L117 D118 | M110-T114 WeakPolarHBondContact O-CB 3.31Å; M110-T114 VanDerWaalsContact O-CG2 3.31Å; M110-T114 WeakPolarHBondContact O-CG2 3.5Å; M110-T114 PolarHBondContact O-N 3.18Å; M110-T114 PolarHBondContact O-OG1 3.42Å; T111-T114 WeakPolarHBondContact CA-OG1 3.44Å; T111-T114 PolarHBondContact O-OG1 3.32Å; T111-T114 VanDerWaalsContact O-OG1 3.08Å; T114-L117 WeakPolarHBondContact O-CB 3.48Å; T114-L117 PolarHBondContact O-N 2.83Å; T114-D118 PolarHBondContact O-N 3.5Å |
| 115 | K | 88.3 | Confident | 82.9 | Confident | 143 Ų | 143 | 76.9 Ų | 76.9 | 62% | 0.622 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.8 | -37.7 | 172 | -76.6 | 177.4 | -179.3 | -176.1 | 0 | 113.2 | T111 Q112 V113 L117 K119 | T111-K115 HydrophobicContact CG2-CD 4.43Å; T111-K115 WeakPolarHBondContact O-CB 3.35Å; T111-K115 VanDerWaalsContact O-CG 3.23Å; T111-K115 WeakPolarHBondContact O-CG 3.43Å; T111-K115 PolarHBondContact O-N 3.26Å; Q112-K115 PolarHBondContact O-N 3.2Å; V113-K115 PolarHBondContact O-N 2.98Å; K115-L117 VanDerWaalsContact C-N 3.31Å; K115-K119 PolarHBondContact O-N 3.28Å; K115-K119 VanDerWaalsContact O-N 3.14Å |
| 116 | A | 84.1 | Confident | 82.6 | Confident | 44 Ų | 44 | 81.4 Ų | 81.4 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -66.3 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q112 V113 A120 V132 | Q112-A116 WeakPolarHBondContact O-CB 3.47Å; Q112-A116 PolarHBondContact O-N 3.42Å; V113-A116 WeakPolarHBondContact O-CB 3.42Å; V113-A116 PolarHBondContact O-N 3.48Å; V113-A116 VanDerWaalsContact O-N 3.14Å; A116-A120 WeakPolarHBondContact O-CB 3.39Å; A116-A120 PolarHBondContact O-N 3.41Å; A116-V132 HydrophobicContact CB-CG1 4.32Å; A116-V132 HydrophobicContact CB-CG2 4.32Å |
| 117 | L | 83.1 | Confident | 82.5 | Confident | 38 Ų | 38 | 88.2 Ų | 88.2 | 20% | 0.199 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -63.7 | -49 | 175.7 | -168.9 | 103.6 | 0 | 0 | 0 | 111.1 | V113 T114 K115 K119 A120 L121 V132 M133 | V113-L117 PolarHBondContact O-N 3Å; T114-L117 WeakPolarHBondContact O-CB 3.48Å; T114-L117 PolarHBondContact O-N 2.83Å; K115-L117 VanDerWaalsContact C-N 3.31Å; L117-K119 VanDerWaalsContact C-N 3.29Å; L117-K119 PolarHBondContact O-N 2.94Å; L117-A120 PolarHBondContact O-N 3.02Å; L117-A120 VanDerWaalsContact O-N 3.09Å; L117-L121 HydrophobicContact CD2-CD1 3.74Å; L117-L121 HydrophobicContact CG-CD1 4.04Å; L117-L121 HydrophobicContact CG-CG 4.45Å; L117-L121 WeakPolarHBondContact O-CB 2.96Å; L117-L121 WeakPolarHBondContact O-CG 3.39Å; L117-L121 PolarHBondContact O-N 3.31Å; L117-V132 HydrophobicContact CB-CG1 3.8Å; L117-V132 HydrophobicContact CD1-CB 4.38Å; L117-V132 HydrophobicContact CD1-CG1 3.78Å; L117-V132 HydrophobicContact CG-CG1 4.39Å; L117-M133 HydrophobicContact CD1-CE 3.56Å; L117-M133 HydrophobicContact CD1-CG 4.29Å; L117-M133 HydrophobicContact CD1-SD 3.54Å; L117-M133 VanDerWaalsContact CD1-SD 3.54Å; L117-M133 HydrophobicContact CD2-CE 4.48Å |
| 118 | D | 85.1 | Confident | 82.2 | Confident | 119 Ų | 119 | 90 Ų | 90 | 64% | 0.636 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -58.5 | -42.2 | 179.1 | -164.2 | 32.8 | 0 | 0 | 0 | 111.6 | T114 L121 G122 | T114-D118 PolarHBondContact O-N 3.5Å; D118-L121 PolarHBondContact O-N 3.2Å; D118-G122 PolarHBondContact O-N 3.34Å |
| 119 | K | 84.6 | Confident | 81.9 | Confident | 173 Ų | 173 | 84.8 Ų | 84.8 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.8 | -37.6 | 174.8 | -169 | 175.5 | -178.1 | 179.6 | 0 | 113.2 | K115 L117 S123 | K115-K119 PolarHBondContact O-N 3.28Å; K115-K119 VanDerWaalsContact O-N 3.14Å; L117-K119 VanDerWaalsContact C-N 3.29Å; L117-K119 PolarHBondContact O-N 2.94Å; K119-S123 PolarHBondContact O-N 3.44Å; K119-S123 PolarHBondContact O-OG 3.26Å |
| 120 | A | 80.1 | Confident | 81.8 | Confident | 6 Ų | 6 | 85 Ų | 85 | 5% | 0.05 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -67.8 | -45.1 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | A116 L117 G122 S123 M124 K128 V129 V132 | A116-A120 WeakPolarHBondContact O-CB 3.39Å; A116-A120 PolarHBondContact O-N 3.41Å; L117-A120 PolarHBondContact O-N 3.02Å; L117-A120 VanDerWaalsContact O-N 3.09Å; A120-G122 PolarHBondContact O-N 3.36Å; A120-S123 PolarHBondContact O-N 2.69Å; A120-S123 VanDerWaalsContact O-N 3.1Å; A120-S123 PolarHBondContact O-OG 3.28Å; A120-M124 PolarHBondContact O-N 2.66Å; A120-K128 HydrophobicContact CB-CB 4.11Å; A120-V129 HydrophobicContact CB-CG2 3.94Å; A120-V132 HydrophobicContact CB-CG2 4.5Å |
| 121 | L | 80.2 | Confident | 81.8 | Confident | 91 Ų | 91 | 85.5 Ų | 85.5 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 175.9 | -70.8 | 171.3 | 0 | 0 | 0 | 112 | L117 D118 S123 M124 V129 | L117-L121 HydrophobicContact CD2-CD1 3.74Å; L117-L121 HydrophobicContact CG-CD1 4.04Å; L117-L121 HydrophobicContact CG-CG 4.45Å; L117-L121 WeakPolarHBondContact O-CB 2.96Å; L117-L121 WeakPolarHBondContact O-CG 3.39Å; L117-L121 PolarHBondContact O-N 3.31Å; D118-L121 PolarHBondContact O-N 3.2Å; L121-S123 PolarHBondContact O-N 3.41Å; L121-M124 PolarHBondContact O-N 3.02Å; L121-V129 HydrophobicContact CD2-CG1 4.36Å; L121-V129 HydrophobicContact CD2-CG2 4.01Å; L121-V129 HydrophobicContact CG-CG2 4.46Å |
| 122 | G | 80.5 | Confident | 81.6 | Confident | 73 Ų | 73 | 83.6 Ų | 83.6 | 75% | 0.753 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65.3 | -18.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | D118 A120 | D118-G122 PolarHBondContact O-N 3.34Å; A120-G122 PolarHBondContact O-N 3.36Å |
| 123 | S | 80.1 | Confident | 81.4 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 46% | 0.455 | 45% | 0.453 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.7 | 176.4 | 67.5 | 0 | 0 | 0 | 0 | 114.4 | K119 A120 L121 D125 | K119-S123 PolarHBondContact O-N 3.44Å; K119-S123 PolarHBondContact O-OG 3.26Å; A120-S123 PolarHBondContact O-N 2.69Å; A120-S123 VanDerWaalsContact O-N 3.1Å; A120-S123 PolarHBondContact O-OG 3.28Å; L121-S123 PolarHBondContact O-N 3.41Å; S123-D125 PolarHBondContact O-N 3.41Å |
| 124 | M | 69.3 | Low | 81.5 | Confident | 174 Ų | 174 | 85.7 Ų | 85.7 | 86% | 0.857 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 18.8 | -173.9 | -86 | -178.3 | 161 | 0 | 0 | 115.1 | A120 L121 L126 | A120-M124 PolarHBondContact O-N 2.66Å; L121-M124 PolarHBondContact O-N 3.02Å; M124-L126 PolarHBondContact O-N 2.78Å |
| 125 | D | 77.7 | Confident | 81.4 | Confident | 44 Ų | 44 | 89.1 Ų | 89.1 | 24% | 0.235 | 48% | 0.48 | C | S | . | . | trans | -84.1 | 96.5 | -178.8 | -173.4 | -25.4 | 0 | 0 | 0 | 110.5 | S123 Q127 K128 V129 | S123-D125 PolarHBondContact O-N 3.41Å; D125-Q127 PolarHBondContact O-N 2.82Å; D125-Q127 PolarHBondContact OD1-N 2.84Å; D125-Q127 VanDerWaalsContact OD1-N 3.12Å; D125-K128 HydrophobicContact CB-CB 4.05Å; D125-K128 HydrophobicContact CB-CD 4.11Å; D125-K128 HydrophobicContact CB-CG 4.19Å; D125-K128 PolarHBondContact O-N 3.07Å; D125-K128 VanDerWaalsContact O-N 3.16Å; D125-K128 PolarHBondContact OD1-N 3.44Å; D125-K128 VanDerWaalsContact OD1-N 3.11Å; D125-K128 VanDerWaalsContact OD2-CD 3.24Å; D125-K128 WeakPolarHBondContact OD2-CD 3.23Å; D125-K128 VanDerWaalsContact OD2-CE 3.27Å; D125-K128 WeakPolarHBondContact OD2-CE 3.18Å; D125-K128 VanDerWaalsContact OD2-CG 3.31Å; D125-K128 WeakPolarHBondContact OD2-CG 3.36Å; D125-K128 IonicContact OD2-NZ 2.75Å; D125-K128 PolarHBondContact OD2-NZ 3.36Å; D125-V129 WeakPolarHBondContact O-CG2 3.17Å; D125-V129 PolarHBondContact O-N 2.87Å | ||
| 126 | L | 76.8 | Confident | 81.2 | Confident | 146 Ų | 146 | 86.3 Ų | 86.3 | 76% | 0.764 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -57.5 | -32.8 | -179.4 | -80.3 | 158.1 | 0 | 0 | 0 | 113.4 | M124 V129 S130 | M124-L126 PolarHBondContact O-N 2.78Å; L126-V129 PolarHBondContact O-N 3.37Å; L126-S130 PolarHBondContact O-N 2.82Å |
| 127 | Q | 79 | Confident | 81.2 | Confident | 165 Ų | 165 | 90.6 Ų | 90.6 | 77% | 0.771 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.6 | -40.4 | 178 | -71.6 | -172.6 | -42.2 | 0 | 0 | 111.3 | D125 S130 A131 | D125-Q127 PolarHBondContact O-N 2.82Å; D125-Q127 PolarHBondContact OD1-N 2.84Å; D125-Q127 VanDerWaalsContact OD1-N 3.12Å; Q127-S130 PolarHBondContact O-N 2.96Å; Q127-A131 PolarHBondContact O-N 3.3Å; Q127-A131 VanDerWaalsContact O-N 3.13Å |
| 128 | K | 78.4 | Confident | 81.4 | Confident | 114 Ų | 114 | 92.2 Ų | 92.2 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -37 | 173.7 | -71.6 | -176.8 | -174.9 | 114.5 | 0 | 112.2 | A120 D125 A131 V132 | A120-K128 HydrophobicContact CB-CB 4.11Å; D125-K128 HydrophobicContact CB-CB 4.05Å; D125-K128 HydrophobicContact CB-CD 4.11Å; D125-K128 HydrophobicContact CB-CG 4.19Å; D125-K128 PolarHBondContact O-N 3.07Å; D125-K128 VanDerWaalsContact O-N 3.16Å; D125-K128 PolarHBondContact OD1-N 3.44Å; D125-K128 VanDerWaalsContact OD1-N 3.11Å; D125-K128 VanDerWaalsContact OD2-CD 3.24Å; D125-K128 WeakPolarHBondContact OD2-CD 3.23Å; D125-K128 VanDerWaalsContact OD2-CE 3.27Å; D125-K128 WeakPolarHBondContact OD2-CE 3.18Å; D125-K128 VanDerWaalsContact OD2-CG 3.31Å; D125-K128 WeakPolarHBondContact OD2-CG 3.36Å; D125-K128 IonicContact OD2-NZ 2.75Å; D125-K128 PolarHBondContact OD2-NZ 3.36Å; K128-A131 PolarHBondContact O-N 2.78Å; K128-V132 VanDerWaalsContact O-CG2 3.28Å; K128-V132 WeakPolarHBondContact O-CG2 3.25Å; K128-V132 PolarHBondContact O-N 3.39Å |
| 129 | V | 78.8 | Confident | 81.2 | Confident | 26 Ų | 26 | 89.3 Ų | 89.3 | 16% | 0.158 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 175.5 | 173.6 | 0 | 0 | 0 | 0 | 110.6 | A120 L121 D125 L126 A131 V132 M133 | A120-V129 HydrophobicContact CB-CG2 3.94Å; L121-V129 HydrophobicContact CD2-CG1 4.36Å; L121-V129 HydrophobicContact CD2-CG2 4.01Å; L121-V129 HydrophobicContact CG-CG2 4.46Å; D125-V129 WeakPolarHBondContact O-CG2 3.17Å; D125-V129 PolarHBondContact O-N 2.87Å; L126-V129 PolarHBondContact O-N 3.37Å; V129-A131 PolarHBondContact O-N 3.08Å; V129-V132 PolarHBondContact O-N 3.09Å; V129-M133 WeakPolarHBondContact O-CG 3.3Å; V129-M133 PolarHBondContact O-N 2.77Å |
| 130 | S | 82.5 | Confident | 81.1 | Confident | 66 Ų | 66 | 83.3 Ų | 83.3 | 46% | 0.462 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -57 | -49.1 | 176 | -166.4 | 0 | 0 | 0 | 0 | 111.8 | L126 Q127 V132 M133 D134 | L126-S130 PolarHBondContact O-N 2.82Å; Q127-S130 PolarHBondContact O-N 2.96Å; S130-V132 VanDerWaalsContact C-N 3.28Å; S130-V132 PolarHBondContact O-N 3.27Å; S130-M133 PolarHBondContact O-N 3.3Å; S130-M133 VanDerWaalsContact O-N 3.14Å; S130-D134 PolarHBondContact O-N 3.07Å |
| 131 | A | 84.6 | Confident | 81.3 | Confident | 48 Ų | 48 | 89.1 Ų | 89.1 | 40% | 0.397 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.7 | -27.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q127 K128 V129 K135 | Q127-A131 PolarHBondContact O-N 3.3Å; Q127-A131 VanDerWaalsContact O-N 3.13Å; K128-A131 PolarHBondContact O-N 2.78Å; V129-A131 PolarHBondContact O-N 3.08Å; A131-K135 WeakPolarHBondContact O-CG 3.16Å; A131-K135 PolarHBondContact O-N 2.92Å |
| 132 | V | 82.1 | Confident | 81.4 | Confident | 22 Ų | 22 | 88.6 Ų | 88.6 | 13% | 0.133 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -79.3 | -33.4 | 174.6 | 178.3 | 0 | 0 | 0 | 0 | 111.1 | V113 A116 L117 A120 K128 V129 S130 K135 F136 | V113-V132 HydrophobicContact CG1-CG1 4.27Å; A116-V132 HydrophobicContact CB-CG1 4.32Å; A116-V132 HydrophobicContact CB-CG2 4.32Å; L117-V132 HydrophobicContact CB-CG1 3.8Å; L117-V132 HydrophobicContact CD1-CB 4.38Å; L117-V132 HydrophobicContact CD1-CG1 3.78Å; L117-V132 HydrophobicContact CG-CG1 4.39Å; A120-V132 HydrophobicContact CB-CG2 4.5Å; K128-V132 VanDerWaalsContact O-CG2 3.28Å; K128-V132 WeakPolarHBondContact O-CG2 3.25Å; K128-V132 PolarHBondContact O-N 3.39Å; V129-V132 PolarHBondContact O-N 3.09Å; S130-V132 VanDerWaalsContact C-N 3.28Å; S130-V132 PolarHBondContact O-N 3.27Å; V132-K135 PolarHBondContact O-N 2.69Å; V132-F136 WeakPolarHBondContact O-CB 3.46Å; V132-F136 PolarHBondContact O-N 2.79Å |
| 133 | M | 83.1 | Confident | 81.3 | Confident | 86 Ų | 86 | 87.4 Ų | 87.4 | 42% | 0.424 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.2 | -42.6 | 174.1 | -72.7 | -56.6 | -167.3 | 0 | 0 | 112.3 | L117 V129 S130 K135 F136 E137 | L117-M133 HydrophobicContact CD1-CE 3.56Å; L117-M133 HydrophobicContact CD1-CG 4.29Å; L117-M133 HydrophobicContact CD1-SD 3.54Å; L117-M133 VanDerWaalsContact CD1-SD 3.54Å; L117-M133 HydrophobicContact CD2-CE 4.48Å; V129-M133 WeakPolarHBondContact O-CG 3.3Å; V129-M133 PolarHBondContact O-N 2.77Å; S130-M133 PolarHBondContact O-N 3.3Å; S130-M133 VanDerWaalsContact O-N 3.14Å; M133-K135 PolarHBondContact O-N 2.82Å; M133-F136 WeakPolarHBondContact O-CA 3.39Å; M133-F136 WeakPolarHBondContact O-CB 3.4Å; M133-F136 PolarHBondContact O-N 3.49Å; M133-E137 PolarHBondContact O-N 2.99Å |
| 134 | D | 87.2 | Confident | 81.2 | Confident | 90 Ų | 90 | 89.3 Ų | 89.3 | 48% | 0.481 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -58.7 | -39.1 | 174.7 | -60.8 | -17.5 | 0 | 0 | 0 | 111.2 | S130 T138 | S130-D134 PolarHBondContact O-N 3.07Å; D134-T138 WeakPolarHBondContact O-CB 3.23Å; D134-T138 PolarHBondContact O-N 2.83Å; D134-T138 PolarHBondContact O-OG1 3.3Å |
| 135 | K | 83.9 | Confident | 81.8 | Confident | 139 Ų | 139 | 85.1 Ų | 85.1 | 60% | 0.604 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -68.9 | -36 | 174 | -76.6 | 179.2 | 179.7 | 178.1 | 0 | 112.7 | A131 V132 M133 Q139 | A131-K135 WeakPolarHBondContact O-CG 3.16Å; A131-K135 PolarHBondContact O-N 2.92Å; V132-K135 PolarHBondContact O-N 2.69Å; M133-K135 PolarHBondContact O-N 2.82Å; K135-Q139 WeakPolarHBondContact O-CB 3.09Å; K135-Q139 WeakPolarHBondContact O-CG 3.32Å; K135-Q139 PolarHBondContact O-N 2.77Å; K135-Q139 VanDerWaalsContact O-N 3.1Å |
| 136 | F | 83.3 | Confident | 81.4 | Confident | 84 Ų | 84 | 88.2 Ų | 88.2 | 37% | 0.368 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.2 | -47.5 | 175.8 | 178.9 | -99.9 | 0 | 0 | 0 | 110.8 | M110 V113 V132 M133 T138 Q139 V140 | M110-F136 HydrophobicContact SD-CE2 4.43Å; V113-F136 HydrophobicContact CG1-CB 3.88Å; V113-F136 HydrophobicContact CG1-CD2 4Å; V113-F136 HydrophobicContact CG1-CG 4.45Å; V132-F136 WeakPolarHBondContact O-CB 3.46Å; V132-F136 PolarHBondContact O-N 2.79Å; M133-F136 WeakPolarHBondContact O-CA 3.39Å; M133-F136 WeakPolarHBondContact O-CB 3.4Å; M133-F136 PolarHBondContact O-N 3.49Å; F136-T138 PolarHBondContact O-N 3.36Å; F136-Q139 PolarHBondContact O-N 3.31Å; F136-Q139 VanDerWaalsContact O-N 3.11Å; F136-V140 HydrophobicContact CD1-CG2 4.18Å; F136-V140 HydrophobicContact CD2-CG2 4.38Å; F136-V140 HydrophobicContact CE1-CG2 3.78Å; F136-V140 HydrophobicContact CE2-CG2 4Å; F136-V140 HydrophobicContact CG-CG2 4.47Å; F136-V140 HydrophobicContact CZ-CG2 3.68Å; F136-V140 WeakPolarHBondContact O-CG2 3.33Å; F136-V140 PolarHBondContact O-N 2.9Å |
| 137 | E | 85.8 | Confident | 81.2 | Confident | 133 Ų | 133 | 83.7 Ų | 83.7 | 62% | 0.621 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -59.5 | -47.1 | 177.5 | -172.1 | 163.5 | -153.8 | 0 | 0 | 111.6 | M133 Q139 V140 Q141 | M133-E137 PolarHBondContact O-N 2.99Å; E137-Q139 VanDerWaalsContact C-N 3.26Å; E137-Q139 PolarHBondContact O-N 2.89Å; E137-V140 PolarHBondContact O-N 3.08Å; E137-Q141 WeakPolarHBondContact O-CB 3.36Å; E137-Q141 PolarHBondContact O-N 3.41Å |
| 138 | T | 86.6 | Confident | 80.8 | Confident | 73 Ų | 73 | 78.8 Ų | 78.8 | 45% | 0.448 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -56.6 | -41.4 | 174.7 | -56.3 | 0 | 0 | 0 | 0 | 111.9 | D134 F136 N142 | D134-T138 WeakPolarHBondContact O-CB 3.23Å; D134-T138 PolarHBondContact O-N 2.83Å; D134-T138 PolarHBondContact O-OG1 3.3Å; F136-T138 PolarHBondContact O-N 3.36Å; T138-N142 WeakPolarHBondContact O-CB 3.18Å; T138-N142 PolarHBondContact O-N 3.32Å; T138-N142 PolarHBondContact O-ND2 2.7Å; T138-N142 VanDerWaalsContact O-ND2 3.08Å |
| 139 | Q | 81.2 | Confident | 80.3 | Confident | 58 Ų | 58 | 77.1 Ų | 77.1 | 27% | 0.271 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -79.3 | -29.2 | -176.1 | -67 | -75.2 | 17.4 | 0 | 0 | 113.5 | M110 V113 K135 F136 E137 L143 | M110-Q139 HydrophobicContact CE-CB 3.17Å; M110-Q139 HydrophobicContact CE-CG 4.1Å; V113-Q139 HydrophobicContact CG2-CG 4.29Å; K135-Q139 WeakPolarHBondContact O-CB 3.09Å; K135-Q139 WeakPolarHBondContact O-CG 3.32Å; K135-Q139 PolarHBondContact O-N 2.77Å; K135-Q139 VanDerWaalsContact O-N 3.1Å; F136-Q139 PolarHBondContact O-N 3.31Å; F136-Q139 VanDerWaalsContact O-N 3.11Å; E137-Q139 VanDerWaalsContact C-N 3.26Å; E137-Q139 PolarHBondContact O-N 2.89Å; Q139-L143 PolarHBondContact O-N 2.93Å; Q139-L143 VanDerWaalsContact O-N 3.13Å |
| 140 | V | 81.1 | Confident | 79.8 | Confident | 47 Ų | 47 | 78.5 Ų | 78.5 | 29% | 0.285 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -69.8 | -43.8 | 169.9 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | F136 E137 N142 L143 D144 | F136-V140 HydrophobicContact CD1-CG2 4.18Å; F136-V140 HydrophobicContact CD2-CG2 4.38Å; F136-V140 HydrophobicContact CE1-CG2 3.78Å; F136-V140 HydrophobicContact CE2-CG2 4Å; F136-V140 HydrophobicContact CG-CG2 4.47Å; F136-V140 HydrophobicContact CZ-CG2 3.68Å; F136-V140 WeakPolarHBondContact O-CG2 3.33Å; F136-V140 PolarHBondContact O-N 2.9Å; E137-V140 PolarHBondContact O-N 3.08Å; V140-N142 VanDerWaalsContact C-N 3.32Å; V140-N142 PolarHBondContact O-N 2.76Å; V140-L143 WeakPolarHBondContact O-CB 3.34Å; V140-L143 PolarHBondContact O-N 2.8Å; V140-L143 VanDerWaalsContact O-N 3.08Å; V140-D144 PolarHBondContact O-N 3.22Å |
| 141 | Q | 84.4 | Confident | 79.2 | Confident | 127 Ų | 127 | 81.6 Ų | 81.6 | 59% | 0.593 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.7 | -40.3 | 176.7 | -160.7 | 176.4 | 15.7 | 0 | 0 | 111.7 | E137 L143 D144 V145 | E137-Q141 WeakPolarHBondContact O-CB 3.36Å; E137-Q141 PolarHBondContact O-N 3.41Å; Q141-L143 VanDerWaalsContact C-N 3.32Å; Q141-L143 PolarHBondContact O-N 3.42Å; Q141-D144 PolarHBondContact O-N 3.31Å; Q141-V145 WeakPolarHBondContact O-CG2 3.13Å; Q141-V145 PolarHBondContact O-N 3.04Å |
| 142 | N | 82.3 | Confident | 78.3 | Confident | 81 Ų | 81 | 83.8 Ų | 83.8 | 43% | 0.433 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.2 | -35.9 | 172.9 | -75.4 | -31.2 | 0 | 0 | 0 | 112.8 | T138 V140 H146 | T138-N142 WeakPolarHBondContact O-CB 3.18Å; T138-N142 PolarHBondContact O-N 3.32Å; T138-N142 PolarHBondContact O-ND2 2.7Å; T138-N142 VanDerWaalsContact O-ND2 3.08Å; V140-N142 VanDerWaalsContact C-N 3.32Å; V140-N142 PolarHBondContact O-N 2.76Å; N142-H146 VanDerWaalsContact O-CB 3.31Å; N142-H146 WeakPolarHBondContact O-CB 3.23Å; N142-H146 PolarHBondContact O-N 3.09Å |
| 143 | L | 79.4 | Confident | 77.3 | Confident | 48 Ų | 48 | 86 Ų | 86 | 25% | 0.251 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 175.1 | 176.8 | 80.4 | 0 | 0 | 0 | 110.9 | M103 V106 Q139 V140 Q141 H146 T147 | M103-L143 HydrophobicContact CE-CD1 4.47Å; M103-L143 HydrophobicContact SD-CD1 4.01Å; V106-L143 HydrophobicContact CB-CD1 4.24Å; V106-L143 HydrophobicContact CG1-CB 4.35Å; V106-L143 HydrophobicContact CG1-CD1 3.46Å; V106-L143 VanDerWaalsContact CG1-CD1 3.46Å; V106-L143 HydrophobicContact CG1-CG 4.43Å; Q139-L143 PolarHBondContact O-N 2.93Å; Q139-L143 VanDerWaalsContact O-N 3.13Å; V140-L143 WeakPolarHBondContact O-CB 3.34Å; V140-L143 PolarHBondContact O-N 2.8Å; V140-L143 VanDerWaalsContact O-N 3.08Å; Q141-L143 VanDerWaalsContact C-N 3.32Å; Q141-L143 PolarHBondContact O-N 3.42Å; L143-H146 PolarHBondContact O-N 2.87Å; L143-T147 WeakPolarHBondContact O-CB 3.5Å; L143-T147 PolarHBondContact O-N 3.09Å; L143-T147 PolarHBondContact O-OG1 3.04Å |
| 144 | D | 78 | Confident | 76.1 | Confident | 105 Ų | 105 | 85.5 Ų | 85.5 | 56% | 0.561 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -63.7 | -45.1 | 178.3 | -85.9 | -11.1 | 0 | 0 | 0 | 111.5 | V140 Q141 H146 T147 S148 | V140-D144 PolarHBondContact O-N 3.22Å; Q141-D144 PolarHBondContact O-N 3.31Å; D144-H146 PolarHBondContact O-N 3.27Å; D144-T147 PolarHBondContact O-N 3.12Å; D144-S148 VanDerWaalsContact O-CB 3.27Å; D144-S148 WeakPolarHBondContact O-CB 3.46Å; D144-S148 PolarHBondContact O-N 3.43Å |
| 145 | V | 81.4 | Confident | 74.6 | Confident | 85 Ų | 85 | 84.4 Ų | 84.4 | 52% | 0.515 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.1 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | Q141 T147 V149 | Q141-V145 WeakPolarHBondContact O-CG2 3.13Å; Q141-V145 PolarHBondContact O-N 3.04Å; V145-T147 PolarHBondContact O-N 3.07Å; V145-V149 HydrophobicContact CG1-CG2 4.26Å; V145-V149 WeakPolarHBondContact O-CB 3.31Å; V145-V149 WeakPolarHBondContact O-CG2 3.43Å; V145-V149 PolarHBondContact O-N 3.02Å |
| 146 | H | 69.4 | Low | 73.1 | Confident | 110 Ų | 110 | 81.2 Ų | 81.2 | 51% | 0.509 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.3 | -38.4 | 177.2 | -109.5 | -69.3 | 0 | 0 | 0 | 112.8 | N142 L143 D144 M150 | N142-H146 VanDerWaalsContact O-CB 3.31Å; N142-H146 WeakPolarHBondContact O-CB 3.23Å; N142-H146 PolarHBondContact O-N 3.09Å; L143-H146 PolarHBondContact O-N 2.87Å; D144-H146 PolarHBondContact O-N 3.27Å; H146-M150 WeakPolarHBondContact O-CB 3.48Å; H146-M150 PolarHBondContact O-N 3.37Å |
| 147 | T | 71.8 | Confident | 71.5 | Confident | 51 Ų | 51 | 79.8 Ų | 79.8 | 31% | 0.313 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.6 | -45.7 | 179.6 | -56 | 0 | 0 | 0 | 0 | 110.1 | L143 D144 V145 M150 E151 | L143-T147 WeakPolarHBondContact O-CB 3.5Å; L143-T147 PolarHBondContact O-N 3.09Å; L143-T147 PolarHBondContact O-OG1 3.04Å; D144-T147 PolarHBondContact O-N 3.12Å; V145-T147 PolarHBondContact O-N 3.07Å; T147-M150 PolarHBondContact O-N 3.46Å; T147-E151 VanDerWaalsContact O-CB 3.23Å; T147-E151 WeakPolarHBondContact O-CB 3.44Å; T147-E151 PolarHBondContact O-N 3.41Å |
| 148 | S | 72 | Confident | 69.8 | Low | 61 Ų | 61 | 77.4 Ų | 77.4 | 43% | 0.427 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61.3 | -48.4 | 174.9 | 166.8 | 0 | 0 | 0 | 0 | 112 | D144 M150 E151 D152 | D144-S148 VanDerWaalsContact O-CB 3.27Å; D144-S148 WeakPolarHBondContact O-CB 3.46Å; D144-S148 PolarHBondContact O-N 3.43Å; S148-M150 VanDerWaalsContact C-N 3.29Å; S148-M150 PolarHBondContact O-N 3.26Å; S148-E151 PolarHBondContact O-N 2.97Å; S148-D152 VanDerWaalsContact O-CB 3.32Å; S148-D152 WeakPolarHBondContact O-CB 3.48Å; S148-D152 VanDerWaalsContact O-CG 3.31Å; S148-D152 PolarHBondContact O-N 3.3Å |
| 149 | V | 68.3 | Low | 67.9 | Low | 80 Ų | 80 | 78 Ų | 78 | 49% | 0.485 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -64.5 | -36 | 178.1 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | V145 S153 | V145-V149 HydrophobicContact CG1-CG2 4.26Å; V145-V149 WeakPolarHBondContact O-CB 3.31Å; V145-V149 WeakPolarHBondContact O-CG2 3.43Å; V145-V149 PolarHBondContact O-N 3.02Å; V149-S153 WeakPolarHBondContact O-CB 3.27Å; V149-S153 PolarHBondContact O-N 2.97Å; V149-S153 PolarHBondContact O-OG 3.34Å |
| 150 | M | 68.4 | Low | 66.3 | Low | 55 Ų | 55 | 82.2 Ų | 82.2 | 27% | 0.271 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.8 | -38.2 | 177.9 | -162.2 | 179.4 | 86.1 | 0 | 0 | 111.9 | T99 H146 T147 S148 S153 M154 | T99-M150 HydrophobicContact CG2-CE 3.12Å; T99-M150 HydrophobicContact CG2-SD 3.71Å; T99-M150 VanDerWaalsContact OG1-CE 3.23Å; T99-M150 WeakPolarHBondContact OG1-CE 3.46Å; T99-M150 PolarHBondContact OG1-SD 2.99Å; H146-M150 WeakPolarHBondContact O-CB 3.48Å; H146-M150 PolarHBondContact O-N 3.37Å; T147-M150 PolarHBondContact O-N 3.46Å; S148-M150 VanDerWaalsContact C-N 3.29Å; S148-M150 PolarHBondContact O-N 3.26Å; M150-S153 PolarHBondContact O-N 3.17Å; M150-M154 HydrophobicContact CE-SD 3.83Å; M150-M154 HydrophobicContact CG-CG 4.37Å; M150-M154 HydrophobicContact CG-SD 3.97Å; M150-M154 WeakPolarHBondContact O-CB 3.36Å; M150-M154 WeakPolarHBondContact O-CG 3.34Å; M150-M154 PolarHBondContact O-N 3.33Å; M150-M154 HydrophobicContact SD-SD 4.49Å |
| 151 | E | 68.3 | Low | 64.7 | Low | 130 Ų | 130 | 85.1 Ų | 85.1 | 61% | 0.607 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.8 | -41 | 174.1 | -172.8 | 154.4 | -161.4 | 0 | 0 | 111.2 | T147 S148 M154 S155 | T147-E151 VanDerWaalsContact O-CB 3.23Å; T147-E151 WeakPolarHBondContact O-CB 3.44Å; T147-E151 PolarHBondContact O-N 3.41Å; S148-E151 PolarHBondContact O-N 2.97Å; E151-M154 PolarHBondContact O-N 3.08Å; E151-S155 WeakPolarHBondContact O-CA 3.22Å; E151-S155 WeakPolarHBondContact O-CB 3.4Å; E151-S155 PolarHBondContact O-N 3.13Å |
| 152 | D | 66.3 | Low | 63.2 | Low | 95 Ų | 95 | 82.9 Ų | 82.9 | 51% | 0.508 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.1 | -39.5 | 173.1 | -74.6 | -21.5 | 0 | 0 | 0 | 111.7 | S148 S156 | S148-D152 VanDerWaalsContact O-CB 3.32Å; S148-D152 WeakPolarHBondContact O-CB 3.48Å; S148-D152 VanDerWaalsContact O-CG 3.31Å; S148-D152 PolarHBondContact O-N 3.3Å; D152-S156 WeakPolarHBondContact O-CB 3.47Å; D152-S156 PolarHBondContact O-N 2.94Å; D152-S156 PolarHBondContact O-OG 2.88Å |
| 153 | S | 61.4 | Low | 61.8 | Low | 69 Ų | 69 | 80.4 Ų | 80.4 | 48% | 0.483 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -71.8 | -36.2 | 176.8 | -61.3 | 0 | 0 | 0 | 0 | 112.2 | V149 M150 A157 | V149-S153 WeakPolarHBondContact O-CB 3.27Å; V149-S153 PolarHBondContact O-N 2.97Å; V149-S153 PolarHBondContact O-OG 3.34Å; M150-S153 PolarHBondContact O-N 3.17Å; S153-A157 WeakPolarHBondContact O-CB 3.38Å; S153-A157 PolarHBondContact O-N 3.47Å |
| 154 | M | 57.6 | Low | 60.6 | Low | 75 Ų | 75 | 85.3 Ų | 85.3 | 37% | 0.369 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -78 | -35.7 | 176.7 | -74.4 | 179.5 | 64.4 | 0 | 0 | 112 | M150 E151 A157 T158 | M150-M154 HydrophobicContact CE-SD 3.83Å; M150-M154 HydrophobicContact CG-CG 4.37Å; M150-M154 HydrophobicContact CG-SD 3.97Å; M150-M154 WeakPolarHBondContact O-CB 3.36Å; M150-M154 WeakPolarHBondContact O-CG 3.34Å; M150-M154 PolarHBondContact O-N 3.33Å; M150-M154 HydrophobicContact SD-SD 4.49Å; E151-M154 PolarHBondContact O-N 3.08Å; M154-A157 PolarHBondContact O-N 3.45Å; M154-T158 VanDerWaalsContact O-CB 3.26Å; M154-T158 WeakPolarHBondContact O-CB 3.43Å; M154-T158 PolarHBondContact O-N 2.99Å; M154-T158 PolarHBondContact O-OG1 2.93Å |
| 155 | S | 56 | Low | 59.6 | Low | 66 Ų | 66 | 86.1 Ų | 86.1 | 46% | 0.462 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -45.1 | 170.9 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | E151 T158 T159 | E151-S155 WeakPolarHBondContact O-CA 3.22Å; E151-S155 WeakPolarHBondContact O-CB 3.4Å; E151-S155 PolarHBondContact O-N 3.13Å; S155-T158 PolarHBondContact O-N 3.44Å; S155-T159 VanDerWaalsContact O-CB 3.25Å; S155-T159 WeakPolarHBondContact O-CB 3.45Å; S155-T159 PolarHBondContact O-N 2.9Å; S155-T159 PolarHBondContact O-OG1 3.35Å |
| 156 | S | 52.2 | Low | 58.3 | Low | 72 Ų | 72 | 88.2 Ų | 88.2 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 172.4 | -61.7 | 0 | 0 | 0 | 0 | 112.1 | D152 T159 L160 | D152-S156 WeakPolarHBondContact O-CB 3.47Å; D152-S156 PolarHBondContact O-N 2.94Å; D152-S156 PolarHBondContact O-OG 2.88Å; S156-T159 PolarHBondContact O-N 3.14Å; S156-L160 WeakPolarHBondContact O-CB 3.31Å; S156-L160 PolarHBondContact O-N 3.36Å |
| 157 | A | 50.2 | Low | 57.9 | Low | 54 Ų | 54 | 85.6 Ų | 85.6 | 45% | 0.446 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.9 | -36.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S153 M154 T161 | S153-A157 WeakPolarHBondContact O-CB 3.38Å; S153-A157 PolarHBondContact O-N 3.47Å; M154-A157 PolarHBondContact O-N 3.45Å; A157-T161 PolarHBondContact O-N 2.97Å; A157-T161 PolarHBondContact O-OG1 2.96Å |
| 158 | T | 50.7 | Low | 57.6 | Low | 83 Ų | 83 | 86.8 Ų | 86.8 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.1 | -34.9 | 176.9 | -52.7 | 0 | 0 | 0 | 0 | 111.5 | M154 S155 T161 T162 | M154-T158 VanDerWaalsContact O-CB 3.26Å; M154-T158 WeakPolarHBondContact O-CB 3.43Å; M154-T158 PolarHBondContact O-N 2.99Å; M154-T158 PolarHBondContact O-OG1 2.93Å; S155-T158 PolarHBondContact O-N 3.44Å; T158-T161 PolarHBondContact O-N 3.45Å; T158-T162 PolarHBondContact O-N 3.31Å; T158-T162 PolarHBondContact O-OG1 3.22Å |
| 159 | T | 45.7 | Very low | 57.6 | Low | 86 Ų | 86 | 89.2 Ų | 89.2 | 53% | 0.528 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -71.3 | -31 | 172.8 | -50.6 | 0 | 0 | 0 | 0 | 111.5 | S155 S156 T162 P163 | S155-T159 VanDerWaalsContact O-CB 3.25Å; S155-T159 WeakPolarHBondContact O-CB 3.45Å; S155-T159 PolarHBondContact O-N 2.9Å; S155-T159 PolarHBondContact O-OG1 3.35Å; S156-T159 PolarHBondContact O-N 3.14Å; T159-T162 CarbonylContact O-C 3.47Å; T159-P163 WeakPolarHBondContact O-CA 3.42Å; T159-P163 WeakPolarHBondContact O-CG 3.07Å |
| 160 | L | 48.4 | Very low | 57.6 | Low | 147 Ų | 147 | 89.9 Ų | 89.9 | 77% | 0.77 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -79.8 | -27.3 | 173.8 | -124.7 | 87.6 | 0 | 0 | 0 | 113.9 | S156 | S156-L160 WeakPolarHBondContact O-CB 3.31Å; S156-L160 PolarHBondContact O-N 3.36Å |
| 161 | T | 47 | Very low | 57.8 | Low | 108 Ų | 108 | 92.4 Ų | 92.4 | 66% | 0.663 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -90.7 | -12.1 | 177.4 | 34.4 | 0 | 0 | 0 | 0 | 113.9 | A157 T158 | A157-T161 PolarHBondContact O-N 2.97Å; A157-T161 PolarHBondContact O-OG1 2.96Å; T158-T161 PolarHBondContact O-N 3.45Å |
| 162 | T | 51.5 | Low | 57.9 | Low | 79 Ų | 79 | 89.9 Ų | 89.9 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | S | Bend | trans | -148.5 | 75.4 | 170.5 | 16.8 | 0 | 0 | 0 | 0 | 109.5 | T158 T159 Q164 V167 | T158-T162 PolarHBondContact O-N 3.31Å; T158-T162 PolarHBondContact O-OG1 3.22Å; T159-T162 CarbonylContact O-C 3.47Å; T162-Q164 PolarHBondContact O-N 3.49Å; T162-V167 HydrophobicContact CG2-CG2 3.73Å |
| 163 | P | 54.3 | Low | 58 | Low | 29 Ų | 29 | 90.5 Ų | 90.5 | 19% | 0.188 | 51% | 0.511 | C | S | . | . | trans | -60.3 | 128.4 | 167 | -18.9 | 32.7 | 0 | 0 | 0 | 107.8 | T159 D165 Q166 V167 | T159-P163 WeakPolarHBondContact O-CA 3.42Å; T159-P163 WeakPolarHBondContact O-CG 3.07Å; P163-D165 PolarHBondContact O-N 3.07Å; P163-Q166 HydrophobicContact CB-CB 4.13Å; P163-Q166 HydrophobicContact CB-CG 3.99Å; P163-Q166 HydrophobicContact CG-CB 4.29Å; P163-Q166 HydrophobicContact CG-CG 4.03Å; P163-Q166 PolarHBondContact O-N 2.94Å; P163-V167 PolarHBondContact O-N 3.38Å; P163-V167 VanDerWaalsContact O-N 3.12Å | ||
| 164 | Q | 53.8 | Low | 58.2 | Low | 152 Ų | 152 | 91.2 Ų | 91.2 | 71% | 0.71 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -54.7 | -39.6 | -177.8 | -127.6 | -168.1 | -40.7 | 0 | 0 | 111.1 | T162 Q166 V167 D168 | T162-Q164 PolarHBondContact O-N 3.49Å; Q164-Q166 VanDerWaalsContact C-N 3.32Å; Q164-Q166 PolarHBondContact O-N 3.19Å; Q164-V167 PolarHBondContact O-N 2.95Å; Q164-V167 VanDerWaalsContact O-N 3.13Å; Q164-D168 WeakPolarHBondContact O-CB 3.38Å; Q164-D168 PolarHBondContact O-N 3.1Å |
| 165 | D | 57.4 | Low | 58.3 | Low | 121 Ų | 121 | 88.7 Ų | 88.7 | 65% | 0.647 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.3 | -35.6 | 175.3 | -55.5 | -26.9 | 0 | 0 | 0 | 113.3 | P163 D169 | P163-D165 PolarHBondContact O-N 3.07Å; D165-D169 VanDerWaalsContact O-CB 3.32Å; D165-D169 WeakPolarHBondContact O-CB 3.4Å; D165-D169 PolarHBondContact O-N 2.87Å |
| 166 | Q | 53.9 | Low | 58.9 | Low | 130 Ų | 130 | 92.7 Ų | 92.7 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -78.9 | -24.6 | 178 | -70.7 | -178 | 10.6 | 0 | 0 | 112.8 | P163 Q164 L170 | P163-Q166 HydrophobicContact CB-CB 4.13Å; P163-Q166 HydrophobicContact CB-CG 3.99Å; P163-Q166 HydrophobicContact CG-CB 4.29Å; P163-Q166 HydrophobicContact CG-CG 4.03Å; P163-Q166 PolarHBondContact O-N 2.94Å; Q164-Q166 VanDerWaalsContact C-N 3.32Å; Q164-Q166 PolarHBondContact O-N 3.19Å; Q166-L170 WeakPolarHBondContact O-CB 3.5Å; Q166-L170 PolarHBondContact O-N 3.11Å |
| 167 | V | 60.5 | Low | 59 | Low | 54 Ų | 54 | 96.7 Ų | 96.7 | 33% | 0.327 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -74.9 | -41.6 | 171.6 | 177.6 | 0 | 0 | 0 | 0 | 109.6 | T162 P163 Q164 L170 I171 | T162-V167 HydrophobicContact CG2-CG2 3.73Å; P163-V167 PolarHBondContact O-N 3.38Å; P163-V167 VanDerWaalsContact O-N 3.12Å; Q164-V167 PolarHBondContact O-N 2.95Å; Q164-V167 VanDerWaalsContact O-N 3.13Å; V167-L170 PolarHBondContact O-N 3.48Å; V167-I171 HydrophobicContact CG1-CD1 3.99Å; V167-I171 VanDerWaalsContact O-CG1 3.26Å; V167-I171 WeakPolarHBondContact O-CG1 3.32Å; V167-I171 PolarHBondContact O-N 3.46Å |
| 168 | D | 65.6 | Low | 59.2 | Low | 77 Ų | 77 | 97.4 Ų | 97.4 | 41% | 0.412 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -43.8 | 178.2 | -69.4 | -12.8 | 0 | 0 | 0 | 111.2 | Q164 L170 I171 V172 | Q164-D168 WeakPolarHBondContact O-CB 3.38Å; Q164-D168 PolarHBondContact O-N 3.1Å; D168-L170 VanDerWaalsContact C-N 3.32Å; D168-L170 PolarHBondContact O-N 2.73Å; D168-I171 PolarHBondContact O-N 2.88Å; D168-V172 WeakPolarHBondContact O-CG2 3.47Å; D168-V172 PolarHBondContact O-N 3.27Å |
| 169 | D | 72.6 | Confident | 59.1 | Low | 111 Ų | 111 | 96.5 Ų | 96.5 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.7 | -38.8 | 172.9 | -80.8 | -13.9 | 0 | 0 | 0 | 112 | D165 V172 Q173 | D165-D169 VanDerWaalsContact O-CB 3.32Å; D165-D169 WeakPolarHBondContact O-CB 3.4Å; D165-D169 PolarHBondContact O-N 2.87Å; D169-V172 PolarHBondContact O-N 3Å; D169-Q173 WeakPolarHBondContact O-CB 3.48Å; D169-Q173 PolarHBondContact O-N 3.24Å |
| 170 | L | 67.4 | Low | 59.5 | Low | 95 Ų | 95 | 98 Ų | 98 | 50% | 0.497 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -68.9 | -35.4 | 176.9 | -167.4 | 80.2 | 0 | 0 | 0 | 111.8 | Q166 V167 D168 I174 | Q166-L170 WeakPolarHBondContact O-CB 3.5Å; Q166-L170 PolarHBondContact O-N 3.11Å; V167-L170 PolarHBondContact O-N 3.48Å; D168-L170 VanDerWaalsContact C-N 3.32Å; D168-L170 PolarHBondContact O-N 2.73Å; L170-I174 HydrophobicContact CD1-CD1 4.41Å; L170-I174 HydrophobicContact CD2-CD1 4.21Å; L170-I174 HydrophobicContact CG-CD1 3.84Å; L170-I174 HydrophobicContact CG-CG1 4.44Å; L170-I174 VanDerWaalsContact O-CB 3.3Å; L170-I174 WeakPolarHBondContact O-CB 3.41Å; L170-I174 WeakPolarHBondContact O-CG1 3.38Å; L170-I174 PolarHBondContact O-N 3.1Å |
| 171 | I | 72.4 | Confident | 59.6 | Low | 107 Ų | 107 | 98.7 Ų | 98.7 | 55% | 0.549 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -67.3 | -43.1 | 175.1 | -73.3 | 167.9 | 0 | 0 | 0 | 110.5 | V167 D168 A175 | V167-I171 HydrophobicContact CG1-CD1 3.99Å; V167-I171 VanDerWaalsContact O-CG1 3.26Å; V167-I171 WeakPolarHBondContact O-CG1 3.32Å; V167-I171 PolarHBondContact O-N 3.46Å; D168-I171 PolarHBondContact O-N 2.88Å; I171-A175 WeakPolarHBondContact O-CB 3.33Å; I171-A175 PolarHBondContact O-N 2.96Å |
| 172 | V | 72 | Confident | 59.6 | Low | 77 Ų | 77 | 97.6 Ų | 97.6 | 47% | 0.467 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 174.9 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | D168 D169 I174 A175 E176 | D168-V172 WeakPolarHBondContact O-CG2 3.47Å; D168-V172 PolarHBondContact O-N 3.27Å; D169-V172 PolarHBondContact O-N 3Å; V172-I174 PolarHBondContact O-N 3.35Å; V172-A175 PolarHBondContact O-N 3.48Å; V172-E176 WeakPolarHBondContact O-CB 3.38Å; V172-E176 WeakPolarHBondContact O-CG 3.5Å; V172-E176 PolarHBondContact O-N 3.18Å |
| 173 | Q | 67.8 | Low | 59.4 | Low | 109 Ų | 109 | 101 Ų | 101 | 51% | 0.509 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -66.9 | -37.5 | -178.6 | -164 | 172.1 | 27.2 | 0 | 0 | 112.7 | D169 E177 | D169-Q173 WeakPolarHBondContact O-CB 3.48Å; D169-Q173 PolarHBondContact O-N 3.24Å; Q173-E177 WeakPolarHBondContact O-CB 3.34Å; Q173-E177 WeakPolarHBondContact O-CG 3.29Å; Q173-E177 PolarHBondContact O-N 3.49Å |
| 174 | I | 64.4 | Low | 59.1 | Low | 83 Ų | 83 | 105.2 Ų | 105.2 | 43% | 0.426 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.6 | -33.6 | 175.3 | -69.4 | 172.3 | 0 | 0 | 0 | 111.5 | L170 V172 S178 | L170-I174 HydrophobicContact CD1-CD1 4.41Å; L170-I174 HydrophobicContact CD2-CD1 4.21Å; L170-I174 HydrophobicContact CG-CD1 3.84Å; L170-I174 HydrophobicContact CG-CG1 4.44Å; L170-I174 VanDerWaalsContact O-CB 3.3Å; L170-I174 WeakPolarHBondContact O-CB 3.41Å; L170-I174 WeakPolarHBondContact O-CG1 3.38Å; L170-I174 PolarHBondContact O-N 3.1Å; V172-I174 PolarHBondContact O-N 3.35Å; I174-S178 WeakPolarHBondContact O-CB 3.33Å; I174-S178 PolarHBondContact O-N 2.87Å; I174-S178 PolarHBondContact O-OG 3.14Å |
| 175 | A | 61.3 | Low | 58.7 | Low | 23 Ų | 23 | 106.3 Ų | 106.3 | 19% | 0.19 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -64.9 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I171 V172 G179 L180 V182 | I171-A175 WeakPolarHBondContact O-CB 3.33Å; I171-A175 PolarHBondContact O-N 2.96Å; V172-A175 PolarHBondContact O-N 3.48Å; A175-G179 PolarHBondContact O-N 3.36Å; A175-L180 PolarHBondContact O-N 3.09Å; A175-V182 HydrophobicContact CB-CG2 4.23Å |
| 176 | E | 67.9 | Low | 58.2 | Low | 149 Ų | 149 | 106.1 Ų | 106.1 | 70% | 0.696 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -66.5 | -43.7 | 173.8 | -72.2 | 177.6 | 176.7 | 0 | 0 | 112.4 | V172 | V172-E176 WeakPolarHBondContact O-CB 3.38Å; V172-E176 WeakPolarHBondContact O-CG 3.5Å; V172-E176 PolarHBondContact O-N 3.18Å |
| 177 | E | 54.1 | Low | 57.7 | Low | 157 Ų | 157 | 103 Ų | 103 | 73% | 0.734 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.5 | -29.8 | 178.9 | -82.8 | -170.9 | 158.6 | 0 | 0 | 113.8 | Q173 G179 | Q173-E177 WeakPolarHBondContact O-CB 3.34Å; Q173-E177 WeakPolarHBondContact O-CG 3.29Å; Q173-E177 PolarHBondContact O-N 3.49Å; E177-G179 VanDerWaalsContact C-N 3.33Å |
| 178 | S | 53.5 | Low | 56.8 | Low | 69 Ų | 69 | 108.8 Ų | 108.8 | 48% | 0.483 | 58% | 0.579 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.8 | -3 | -178.8 | -56.1 | 0 | 0 | 0 | 0 | 113.4 | I174 L180 | I174-S178 WeakPolarHBondContact O-CB 3.33Å; I174-S178 PolarHBondContact O-N 2.87Å; I174-S178 PolarHBondContact O-OG 3.14Å; S178-L180 PolarHBondContact O-N 2.98Å |
| 179 | G | 50.5 | Low | 55.7 | Low | 64 Ų | 64 | 111.2 Ų | 111.2 | 66% | 0.66 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 57.7 | 18.3 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | A175 E177 E181 | A175-G179 PolarHBondContact O-N 3.36Å; E177-G179 VanDerWaalsContact C-N 3.33Å; G179-E181 PolarHBondContact O-N 3.34Å; G179-E181 VanDerWaalsContact O-N 3.11Å |
| 180 | L | 53.3 | Low | 54 | Low | 117 Ų | 117 | 112 Ų | 112 | 61% | 0.613 | 60% | 0.603 | S | S | * | * | trans | -75.2 | 100.9 | 171.5 | -84.7 | 154.5 | 0 | 0 | 0 | 105 | A175 S178 V182 | A175-L180 PolarHBondContact O-N 3.09Å; S178-L180 PolarHBondContact O-N 2.98Å; L180-V182 HydrophobicContact CB-CG2 4.25Å; L180-V182 PolarHBondContact O-N 3.1Å | ||
| 181 | E | 50.9 | Low | 52.6 | Low | 161 Ų | 161 | 112 Ų | 112 | 75% | 0.752 | 62% | 0.617 | S | S | * | * | trans | -58.9 | 75.2 | 166.7 | -76.7 | 179 | 147.2 | 0 | 0 | 109.8 | G179 M183 D184 | G179-E181 PolarHBondContact O-N 3.34Å; G179-E181 VanDerWaalsContact O-N 3.11Å; E181-M183 PolarHBondContact O-N 2.87Å; E181-M183 VanDerWaalsContact O-N 3.15Å; E181-D184 PolarHBondContact O-N 3.08Å | ||
| 182 | V | 47.5 | Very low | 50.6 | Low | 85 Ų | 85 | 110.5 Ų | 110.5 | 52% | 0.515 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.4 | 15 | 159.7 | -167.1 | 0 | 0 | 0 | 0 | 109.4 | A175 L180 | A175-V182 HydrophobicContact CB-CG2 4.23Å; L180-V182 HydrophobicContact CB-CG2 4.25Å; L180-V182 PolarHBondContact O-N 3.1Å |
| 183 | M | 45.3 | Very low | 48.8 | Very low | 151 Ų | 151 | 111.1 Ų | 111.1 | 74% | 0.744 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -20.2 | 167 | -81.8 | -57.4 | 169.6 | 0 | 0 | 113.2 | E181 S187 | E181-M183 PolarHBondContact O-N 2.87Å; E181-M183 VanDerWaalsContact O-N 3.15Å; M183-S187 WeakPolarHBondContact O-CB 3.43Å; M183-S187 PolarHBondContact O-OG 3.44Å |
| 184 | D | 48.3 | Very low | 47.7 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 63% | 0.631 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -17 | -174.7 | -140.5 | 38.2 | 0 | 0 | 0 | 113.9 | E181 S187 | E181-D184 PolarHBondContact O-N 3.08Å; D184-S187 WeakPolarHBondContact CA-OG 3.48Å; D184-S187 PolarHBondContact O-OG 3.05Å |
| 185 | Q | 46.3 | Very low | 46.4 | Very low | 174 Ų | 174 | 113.4 Ų | 113.4 | 81% | 0.813 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -16.7 | 175.7 | -72.3 | -172.4 | -12.4 | 0 | 0 | 114.3 | ||
| 186 | L | 46 | Very low | 45 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 62% | 0.618 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -18.2 | 173.1 | -165.1 | 60.4 | 0 | 0 | 0 | 112.7 | Q188 L189 | L186-Q188 VanDerWaalsContact C-N 3.3Å; L186-Q188 PolarHBondContact O-N 3.43Å; L186-L189 PolarHBondContact O-N 3.41Å |
| 187 | S | 44.2 | Very low | 43.9 | Very low | 63 Ų | 63 | 116.6 Ų | 116.6 | 44% | 0.441 | 71% | 0.705 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.9 | 2 | 178.1 | 44.4 | 0 | 0 | 0 | 0 | 114.7 | M183 D184 L189 | M183-S187 WeakPolarHBondContact O-CB 3.43Å; M183-S187 PolarHBondContact O-OG 3.44Å; D184-S187 WeakPolarHBondContact CA-OG 3.48Å; D184-S187 PolarHBondContact O-OG 3.05Å; S187-L189 VanDerWaalsContact C-N 3.3Å |
| 188 | Q | 42 | Very low | 43.3 | Very low | 176 Ų | 176 | 118.3 Ų | 118.3 | 82% | 0.822 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 1.6 | 165.8 | -70.4 | -173 | 14.7 | 0 | 0 | 113.9 | L186 | L186-Q188 VanDerWaalsContact C-N 3.3Å; L186-Q188 PolarHBondContact O-N 3.43Å |
| 189 | L | 42.2 | Very low | 42.6 | Very low | 128 Ų | 128 | 119.5 Ų | 119.5 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -91.1 | 136 | 157.5 | -76.7 | 161.7 | 0 | 0 | 0 | 108.4 | L186 S187 A191 | L186-L189 PolarHBondContact O-N 3.41Å; S187-L189 VanDerWaalsContact C-N 3.3Å; L189-A191 PolarHBondContact O-N 3.3Å |
| 190 | P | 36.8 | Very low | 42.3 | Very low | 127 Ų | 127 | 121 Ų | 121 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 121 | -152.3 | 20.5 | -31 | 0 | 0 | 0 | 112.6 | G192 | P190-G192 PolarHBondContact O-N 3.38Š|
| 191 | A | 37 | Very low | 42 | Very low | 96 Ų | 96 | 120.3 Ų | 120.3 | 79% | 0.793 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -63 | 122.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L189 | L189-A191 PolarHBondContact O-N 3.3Š|
| 192 | G | 30.6 | Very low | 41.8 | Very low | 76 Ų | 76 | 121.4 Ų | 121.4 | 78% | 0.784 | 72% | 0.724 | S | S | * | * | trans | -123.9 | 71.9 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | P190 | P190-G192 PolarHBondContact O-N 3.38Š| ||
| 193 | A | 34.4 | Very low | 41.9 | Very low | 90 Ų | 90 | 120.6 Ų | 120.6 | 74% | 0.744 | 72% | 0.722 | S | S | * | * | trans | 59.9 | 101.8 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | S195 | A193-S195 PolarHBondContact O-N 3.14Š| ||
| 194 | T | 45 | Very low | 42.1 | Very low | 142 Ų | 142 | 119.5 Ų | 119.5 | 87% | 0.871 | 72% | 0.715 | S | S | * | * | trans | -39.8 | 121.1 | 137.2 | 47.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 195 | S | 36.3 | Very low | 42.4 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | 174.6 | 137.1 | 131.3 | 71.3 | 0 | 0 | 0 | 0 | 111.5 | A193 | A193-S195 PolarHBondContact O-N 3.14Š| ||
| 196 | L | 33.7 | Very low | 42.8 | Very low | 167 Ų | 167 | 117.1 Ų | 117.1 | 87% | 0.874 | 70% | 0.7 | S | S | * | * | trans | 75.7 | 120.8 | 159.6 | -82 | 73.5 | 0 | 0 | 0 | 117.2 | ||||
| 197 | G | 44.3 | Very low | 43.4 | Very low | 72 Ų | 72 | 118.2 Ų | 118.2 | 74% | 0.742 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -61.8 | 175.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 198 | E | 40.4 | Very low | 44.2 | Very low | 194 Ų | 194 | 121.5 Ų | 121.5 | 91% | 0.907 | 71% | 0.708 | S | S | * | * | trans | 78.4 | 59.6 | 173 | -153 | 166.6 | 131.8 | 0 | 0 | 115.7 | ||||
| 199 | S | 39.8 | Very low | 45.6 | Very low | 94 Ų | 94 | 117.6 Ų | 117.6 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | trans | -158.8 | 16.9 | 164.6 | -74.1 | 0 | 0 | 0 | 0 | 115.8 | S201 | S199-S201 PolarHBondContact O-N 3.44Š| ||
| 200 | S | 44.3 | Very low | 47 | Very low | 96 Ų | 96 | 117 Ų | 117 | 67% | 0.671 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -6.6 | -171.7 | -150 | 0 | 0 | 0 | 0 | 115.7 | Q204 | S200-Q204 PolarHBondContact O-OE1 3.28Š|
| 201 | S | 46.3 | Very low | 48.4 | Very low | 101 Ų | 101 | 116.1 Ų | 116.1 | 71% | 0.706 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -18.7 | 179.7 | 56.5 | 0 | 0 | 0 | 0 | 114.4 | S199 | S199-S201 PolarHBondContact O-N 3.44Š|
| 202 | R | 46.3 | Very low | 50.2 | Low | 185 Ų | 185 | 114.5 Ų | 114.5 | 70% | 0.698 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -90.1 | -32.3 | -174.4 | -165.4 | 146.8 | -176.2 | 152.6 | -0.1 | 113.7 | E206 | R202-E206 PolarHBondContact O-N 3.07Å |
| 203 | S | 50.7 | Low | 52.4 | Low | 67 Ų | 67 | 120.3 Ų | 120.3 | 47% | 0.469 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -77.2 | -22.8 | -177.7 | -44.9 | 0 | 0 | 0 | 0 | 113.7 | K207 | S203-K207 WeakPolarHBondContact O-CG 3.43Å |
| 204 | Q | 49.9 | Very low | 54.2 | Low | 128 Ų | 128 | 124.1 Ų | 124.1 | 60% | 0.598 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.2 | -39.7 | 175 | -121.6 | 140.8 | -21.8 | 0 | 0 | 111.1 | S200 K207 E208 | S200-Q204 PolarHBondContact O-OE1 3.28Å; Q204-K207 PolarHBondContact O-N 3.36Å; Q204-E208 PolarHBondContact O-N 3.05Å |
| 205 | Q | 54.1 | Low | 55.1 | Low | 127 Ų | 127 | 123 Ų | 123 | 59% | 0.593 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -69.5 | -36 | 179.3 | -163 | 153.2 | -17.2 | 0 | 0 | 112.8 | K207 E208 D209 | Q205-K207 VanDerWaalsContact C-N 3.33Å; Q205-K207 PolarHBondContact O-N 2.77Å; Q205-E208 PolarHBondContact O-N 3.44Å; Q205-D209 WeakPolarHBondContact O-CB 3.48Å; Q205-D209 PolarHBondContact O-N 2.99Å |
| 206 | E | 55.2 | Low | 57 | Low | 115 Ų | 115 | 121.3 Ų | 121.3 | 54% | 0.537 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.4 | -31.5 | 173.2 | -79.2 | 177.2 | 173.2 | 0 | 0 | 113.2 | R202 Q210 | R202-E206 PolarHBondContact O-N 3.07Å; E206-Q210 WeakPolarHBondContact O-CG 3.45Å; E206-Q210 PolarHBondContact O-N 3.04Å; E206-Q210 VanDerWaalsContact O-N 3.17Å |
| 207 | K | 58.8 | Low | 58.8 | Low | 142 Ų | 142 | 117 Ų | 117 | 62% | 0.617 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -73.3 | -40.7 | 175.7 | -74.2 | 177.4 | -177.9 | 177.2 | 0 | 111.2 | S203 Q204 Q205 Q210 L211 | S203-K207 WeakPolarHBondContact O-CG 3.43Å; Q204-K207 PolarHBondContact O-N 3.36Å; Q205-K207 VanDerWaalsContact C-N 3.33Å; Q205-K207 PolarHBondContact O-N 2.77Å; K207-Q210 PolarHBondContact O-N 2.95Å; K207-L211 WeakPolarHBondContact O-CB 3.27Å; K207-L211 WeakPolarHBondContact O-CD1 3.24Å; K207-L211 PolarHBondContact O-N 3.48Å |
| 208 | E | 61.1 | Low | 59.7 | Low | 132 Ų | 132 | 120.7 Ų | 120.7 | 62% | 0.617 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -64.8 | -40.1 | 175 | -76.3 | -177.8 | 159.7 | 0 | 0 | 112.6 | Q204 Q205 Q210 L211 S212 | Q204-E208 PolarHBondContact O-N 3.05Å; Q205-E208 PolarHBondContact O-N 3.44Å; E208-Q210 PolarHBondContact O-N 3.16Å; E208-L211 PolarHBondContact O-N 3.14Å; E208-S212 WeakPolarHBondContact O-CB 3.31Å; E208-S212 PolarHBondContact O-N 3.24Å; E208-S212 PolarHBondContact O-OG 3.48Å |
| 209 | D | 71 | Confident | 60.7 | Low | 93 Ų | 93 | 122.1 Ų | 122.1 | 50% | 0.497 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -66.8 | -33.5 | 175.7 | -84.7 | -9.5 | 0 | 0 | 0 | 112.8 | Q205 S212 R213 | Q205-D209 WeakPolarHBondContact O-CB 3.48Å; Q205-D209 PolarHBondContact O-N 2.99Å; D209-S212 VanDerWaalsContact CA-OG 3.29Å; D209-S212 WeakPolarHBondContact CA-OG 3.46Å; D209-S212 PolarHBondContact O-OG 3.27Å; D209-S212 VanDerWaalsContact O-OG 3.1Å; D209-R213 WeakPolarHBondContact O-CB 3.36Å; D209-R213 VanDerWaalsContact O-CG 3.32Å; D209-R213 WeakPolarHBondContact O-CG 3.28Å; D209-R213 PolarHBondContact O-N 3.45Å |
| 210 | Q | 70.9 | Confident | 61.1 | Low | 117 Ų | 117 | 127.9 Ų | 127.9 | 55% | 0.547 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -73.1 | -38.5 | 174.6 | -79.3 | -175.1 | 12.6 | 0 | 0 | 112.8 | E206 K207 E208 R214 | E206-Q210 WeakPolarHBondContact O-CG 3.45Å; E206-Q210 PolarHBondContact O-N 3.04Å; E206-Q210 VanDerWaalsContact O-N 3.17Å; K207-Q210 PolarHBondContact O-N 2.95Å; E208-Q210 PolarHBondContact O-N 3.16Å; Q210-R214 PolarHBondContact O-N 3.13Å; Q210-R214 VanDerWaalsContact O-N 3.07Å |
| 211 | L | 66.5 | Low | 62 | Low | 107 Ų | 107 | 129.5 Ų | 129.5 | 56% | 0.56 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -67.6 | -43.2 | 177.1 | -95.6 | 139.5 | 0 | 0 | 0 | 111.7 | K207 E208 R213 R214 L215 | K207-L211 WeakPolarHBondContact O-CB 3.27Å; K207-L211 WeakPolarHBondContact O-CD1 3.24Å; K207-L211 PolarHBondContact O-N 3.48Å; E208-L211 PolarHBondContact O-N 3.14Å; L211-R213 PolarHBondContact O-N 2.97Å; L211-R214 PolarHBondContact O-N 3.02Å; L211-L215 PolarHBondContact O-N 3.29Å |
| 212 | S | 73.7 | Confident | 62.8 | Low | 62 Ų | 62 | 131 Ų | 131 | 43% | 0.434 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.5 | -36.6 | 177.1 | 48.4 | 0 | 0 | 0 | 0 | 112.4 | E208 D209 A216 | E208-S212 WeakPolarHBondContact O-CB 3.31Å; E208-S212 PolarHBondContact O-N 3.24Å; E208-S212 PolarHBondContact O-OG 3.48Å; D209-S212 VanDerWaalsContact CA-OG 3.29Å; D209-S212 WeakPolarHBondContact CA-OG 3.46Å; D209-S212 PolarHBondContact O-OG 3.27Å; D209-S212 VanDerWaalsContact O-OG 3.1Å; S212-A216 PolarHBondContact O-N 3.47Å; S212-A216 VanDerWaalsContact O-N 3.07Å |
| 213 | R | 77 | Confident | 63.7 | Low | 199 Ų | 199 | 128 Ų | 128 | 75% | 0.751 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -65.3 | -40.2 | 170.4 | -77 | 179 | -174.2 | -137 | 3.2 | 113.4 | D209 L211 A216 A217 | D209-R213 WeakPolarHBondContact O-CB 3.36Å; D209-R213 VanDerWaalsContact O-CG 3.32Å; D209-R213 WeakPolarHBondContact O-CG 3.28Å; D209-R213 PolarHBondContact O-N 3.45Å; L211-R213 PolarHBondContact O-N 2.97Å; R213-A216 PolarHBondContact O-N 3.04Å; R213-A217 PolarHBondContact O-N 2.81Å; R213-A217 VanDerWaalsContact O-N 3.14Å |
| 214 | R | 72.1 | Confident | 64.5 | Low | 170 Ų | 170 | 131.6 Ų | 131.6 | 64% | 0.642 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -66.4 | -38.8 | 176.2 | -79.9 | -172.8 | 173.8 | 127.9 | -0.9 | 112.4 | Q210 L211 A217 L218 | Q210-R214 PolarHBondContact O-N 3.13Å; Q210-R214 VanDerWaalsContact O-N 3.07Å; L211-R214 PolarHBondContact O-N 3.02Å; R214-A217 PolarHBondContact O-N 2.67Å; R214-L218 PolarHBondContact O-N 3.3Å |
| 215 | L | 65.2 | Low | 65.4 | Low | 119 Ų | 119 | 131.8 Ų | 131.8 | 62% | 0.623 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -65.9 | -38 | 175.5 | -89.8 | 156.8 | 0 | 0 | 0 | 112.6 | L211 L218 | L211-L215 PolarHBondContact O-N 3.29Å; L215-L218 PolarHBondContact O-N 3.19Å |
| 216 | A | 75.3 | Confident | 66.1 | Low | 60 Ų | 60 | 132.1 Ų | 132.1 | 50% | 0.496 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -67.5 | -36 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S212 R213 L218 R219 | S212-A216 PolarHBondContact O-N 3.47Å; S212-A216 VanDerWaalsContact O-N 3.07Å; R213-A216 PolarHBondContact O-N 3.04Å; A216-L218 VanDerWaalsContact C-N 3.28Å; A216-L218 PolarHBondContact O-N 3.12Å; A216-R219 PolarHBondContact O-N 3.11Å |
| 217 | A | 72.5 | Confident | 66.9 | Low | 76 Ų | 76 | 133.4 Ų | 133.4 | 63% | 0.628 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -70.3 | -21.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | R213 R214 | R213-A217 PolarHBondContact O-N 2.81Å; R213-A217 VanDerWaalsContact O-N 3.14Å; R214-A217 PolarHBondContact O-N 2.67Å |
| 218 | L | 63.1 | Low | 67.5 | Low | 151 Ų | 151 | 132.7 Ų | 132.7 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -3.6 | 175.9 | -78.4 | 159.2 | 0 | 0 | 0 | 113.5 | R214 L215 A216 | R214-L218 PolarHBondContact O-N 3.3Å; L215-L218 PolarHBondContact O-N 3.19Å; A216-L218 VanDerWaalsContact C-N 3.28Å; A216-L218 PolarHBondContact O-N 3.12Å |
| 219 | R | 61.3 | Low | 68.1 | Low | 224 Ų | 224 | 132.8 Ų | 132.8 | 85% | 0.845 | 66% | 0.664 | S | S | * | * | trans | -102.7 | 2.8 | -178 | -170.1 | 171.5 | 162 | 174.3 | -3.6 | 113.4 | A216 | A216-R219 PolarHBondContact O-N 3.11Š| ||
| 220 | N | 48.5 | Very low | 67.8 | Low | 215 Ų | 215 | 136.4 Ų | 136.4 | 100% | 1.15 | 68% | 0.679 | S | S | * | * | trans | -108.1 | 0 | 166.8 | -83 | -58.1 | 0 | 0 | 0 | 110.6 |
Retrieved 220 of 220 residues in 1131 ms
(Link to these results)