| 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 | 35 | Very low | 57 | Low | 239 Ų | 239 | 134 Ų | 134 | 100% | 1.177 | 75% | 0.75 | S | S | * | * | 0 | 124.2 | 0 | -71.2 | -140.7 | 169.3 | 0 | 0 | 107.7 | |||||
| 2 | H | 41.4 | Very low | 59.1 | Low | 202 Ų | 202 | 126.3 Ų | 126.3 | 94% | 0.935 | 72% | 0.716 | S | S | * | * | trans | -63.1 | 128.9 | -168.2 | -78 | 78.1 | 0 | 0 | 0 | 112.3 | ||||
| 3 | Q | 40.9 | Very low | 60.8 | Low | 194 Ų | 194 | 121.9 Ų | 121.9 | 91% | 0.907 | 70% | 0.697 | S | S | * | * | trans | -105 | 129.8 | 161.9 | -74.8 | -176 | -5.1 | 0 | 0 | 108.6 | ||||
| 4 | S | 46.8 | Very low | 62.4 | Low | 107 Ų | 107 | 120.6 Ų | 120.6 | 75% | 0.748 | 69% | 0.686 | S | S | * | * | trans | -67.8 | 147.1 | -166.2 | 47.1 | 0 | 0 | 0 | 0 | 114.9 | F6 | S4-F6 PolarHBondContact O-N 2.76Š| ||
| 5 | P | 49.9 | Very low | 63.8 | Low | 107 Ų | 107 | 117.7 Ų | 117.7 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | trans | -102.7 | 51.6 | -170 | 41.5 | -35.4 | 0 | 0 | 0 | 113.6 | ||||
| 6 | F | 52.5 | Low | 65 | Low | 174 Ų | 174 | 114.8 Ų | 114.8 | 76% | 0.763 | 66% | 0.656 | S | S | * | * | trans | -139.2 | 104.2 | 176.5 | -60.2 | -73.6 | 0 | 0 | 0 | 111.1 | S4 V8 | S4-F6 PolarHBondContact O-N 2.76Å; F6-V8 PolarHBondContact O-N 2.85Å | ||
| 7 | S | 56.3 | Low | 66.1 | Low | 116 Ų | 116 | 118.4 Ų | 118.4 | 81% | 0.811 | 66% | 0.657 | S | S | * | * | trans | -63.9 | 111.3 | 162.5 | 158.4 | 0 | 0 | 0 | 0 | 107.8 | T9 | S7-T9 PolarHBondContact O-N 2.7Å; S7-T9 VanDerWaalsContact O-N 3.16Å | ||
| 8 | V | 67.8 | Low | 66.9 | Low | 87 Ų | 87 | 114.8 Ų | 114.8 | 53% | 0.527 | 64% | 0.641 | S | S | . | * | trans | -64.6 | 115.2 | 175.5 | -173 | 0 | 0 | 0 | 0 | 108.3 | F6 A12 C13 | F6-V8 PolarHBondContact O-N 2.85Å; V8-A12 HydrophobicContact CG1-CB 3.61Å; V8-C13 HydrophobicContact CG1-CB 4.45Å; V8-C13 WeakPolarHBondContact CG1-SG 3.44Å | ||
| 9 | T | 76.3 | Confident | 68 | Low | 90 Ų | 90 | 110.9 Ų | 110.9 | 55% | 0.552 | 62% | 0.62 | S | S | * | * | trans | -56.5 | 142.1 | 177.3 | -45.6 | 0 | 0 | 0 | 0 | 109.4 | S7 A11 A12 C13 | S7-T9 PolarHBondContact O-N 2.7Å; S7-T9 VanDerWaalsContact O-N 3.16Å; T9-A11 PolarHBondContact O-N 3.39Å; T9-A12 WeakPolarHBondContact O-CA 3.43Å; T9-A12 WeakPolarHBondContact O-CB 3.48Å; T9-A12 PolarHBondContact O-N 2.94Å; T9-C13 PolarHBondContact O-N 3.37Å; T9-C13 VanDerWaalsContact O-N 3.09Å | ||
| 10 | P | 79.9 | Confident | 68.7 | Low | 100 Ų | 100 | 110.2 Ų | 110.2 | 65% | 0.649 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -51 | -33.8 | -179.8 | -30.4 | 35.5 | 0 | 0 | 0 | 114.2 | C13 L14 | P10-C13 PolarHBondContact O-N 3.22Å; P10-L14 WeakPolarHBondContact O-CG 3.44Å; P10-L14 PolarHBondContact O-N 3.42Å; P10-L14 VanDerWaalsContact O-N 3.1Å |
| 11 | A | 80.4 | Confident | 69.6 | Low | 58 Ų | 58 | 110.3 Ų | 110.3 | 48% | 0.479 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.4 | -43 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113 | T9 C13 L14 L15 | T9-A11 PolarHBondContact O-N 3.39Å; A11-C13 VanDerWaalsContact C-N 3.35Å; A11-C13 PolarHBondContact O-N 3.49Å; A11-L14 PolarHBondContact O-N 3.35Å; A11-L15 WeakPolarHBondContact O-CG 3.43Å; A11-L15 PolarHBondContact O-N 2.96Å |
| 12 | A | 81.8 | Confident | 71.7 | Confident | 42 Ų | 42 | 102 Ų | 102 | 35% | 0.347 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.4 | -35.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V8 T9 S16 | V8-A12 HydrophobicContact CG1-CB 3.61Å; T9-A12 WeakPolarHBondContact O-CA 3.43Å; T9-A12 WeakPolarHBondContact O-CB 3.48Å; T9-A12 PolarHBondContact O-N 2.94Å; A12-S16 VanDerWaalsContact O-CB 3.27Å; A12-S16 WeakPolarHBondContact O-CB 3.28Å; A12-S16 PolarHBondContact O-N 2.96Å |
| 13 | C | 81.5 | Confident | 73.6 | Confident | 69 Ų | 69 | 96 Ų | 96 | 47% | 0.466 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63 | -41.6 | 171.9 | -73.7 | 0 | 0 | 0 | 0 | 112.3 | V8 T9 P10 A11 R17 | V8-C13 HydrophobicContact CG1-CB 4.45Å; V8-C13 WeakPolarHBondContact CG1-SG 3.44Å; T9-C13 PolarHBondContact O-N 3.37Å; T9-C13 VanDerWaalsContact O-N 3.09Å; P10-C13 PolarHBondContact O-N 3.22Å; A11-C13 VanDerWaalsContact C-N 3.35Å; A11-C13 PolarHBondContact O-N 3.49Å; C13-R17 WeakPolarHBondContact O-CB 3.46Å; C13-R17 PolarHBondContact O-N 3.11Å |
| 14 | L | 83.4 | Confident | 75.3 | Confident | 103 Ų | 103 | 88.5 Ų | 88.5 | 54% | 0.539 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.2 | -45.1 | 177.4 | -71.9 | 175.2 | 0 | 0 | 0 | 111.8 | P10 A11 S16 R17 C18 | P10-L14 WeakPolarHBondContact O-CG 3.44Å; P10-L14 PolarHBondContact O-N 3.42Å; P10-L14 VanDerWaalsContact O-N 3.1Å; A11-L14 PolarHBondContact O-N 3.35Å; L14-S16 PolarHBondContact O-N 2.97Å; L14-R17 PolarHBondContact O-N 3.35Å; L14-R17 VanDerWaalsContact O-N 3.16Å; L14-C18 PolarHBondContact O-N 2.91Å; L14-C18 PolarHBondContact O-SG 3.28Å |
| 15 | L | 83.1 | Confident | 76.9 | Confident | 78 Ų | 78 | 85.5 Ų | 85.5 | 41% | 0.408 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.7 | -45.1 | 176.3 | -69.3 | 172.3 | 0 | 0 | 0 | 111.3 | A11 R17 C18 V19 | A11-L15 WeakPolarHBondContact O-CG 3.43Å; A11-L15 PolarHBondContact O-N 2.96Å; L15-R17 VanDerWaalsContact C-N 3.29Å; L15-R17 PolarHBondContact O-N 3.39Å; L15-C18 WeakPolarHBondContact O-CB 3.38Å; L15-C18 PolarHBondContact O-N 3.42Å; L15-C18 VanDerWaalsContact O-N 3.14Å; L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 2.91Å |
| 16 | S | 83.1 | Confident | 78.4 | Confident | 71 Ų | 71 | 85 Ų | 85 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -37.8 | 174.6 | 178.2 | 0 | 0 | 0 | 0 | 112.6 | A12 L14 V19 S20 | A12-S16 VanDerWaalsContact O-CB 3.27Å; A12-S16 WeakPolarHBondContact O-CB 3.28Å; A12-S16 PolarHBondContact O-N 2.96Å; L14-S16 PolarHBondContact O-N 2.97Å; S16-V19 PolarHBondContact O-N 2.68Å; S16-S20 WeakPolarHBondContact O-CB 3.32Å; S16-S20 PolarHBondContact O-N 3.49Å; S16-S20 PolarHBondContact O-OG 2.92Å |
| 17 | R | 83.5 | Confident | 79.7 | Confident | 175 Ų | 175 | 82.5 Ų | 82.5 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.9 | -36.9 | 176 | -151.5 | 172.1 | 84.9 | -179.7 | 6.9 | 112.1 | C13 L14 L15 S20 V21 | C13-R17 WeakPolarHBondContact O-CB 3.46Å; C13-R17 PolarHBondContact O-N 3.11Å; L14-R17 PolarHBondContact O-N 3.35Å; L14-R17 VanDerWaalsContact O-N 3.16Å; L15-R17 VanDerWaalsContact C-N 3.29Å; L15-R17 PolarHBondContact O-N 3.39Å; R17-S20 PolarHBondContact O-N 3.4Å; R17-V21 WeakPolarHBondContact O-CB 3.44Å; R17-V21 VanDerWaalsContact O-CG2 3.23Å; R17-V21 WeakPolarHBondContact O-CG2 3.35Å; R17-V21 PolarHBondContact O-N 3.44Å |
| 18 | C | 81 | Confident | 80.7 | Confident | 55 Ų | 55 | 82.2 Ų | 82.2 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -38.6 | 174.8 | -66.7 | 0 | 0 | 0 | 0 | 112.2 | L14 L15 G22 A23 T24 | L14-C18 PolarHBondContact O-N 2.91Å; L14-C18 PolarHBondContact O-SG 3.28Å; L15-C18 WeakPolarHBondContact O-CB 3.38Å; L15-C18 PolarHBondContact O-N 3.42Å; L15-C18 VanDerWaalsContact O-N 3.14Å; C18-G22 PolarHBondContact O-N 3.43Å; C18-A23 PolarHBondContact O-N 2.67Å; C18-T24 HydrophobicContact CB-CG2 3.91Å |
| 19 | V | 86.6 | Confident | 81.1 | Confident | 41 Ų | 41 | 79.2 Ų | 79.2 | 25% | 0.248 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -64.8 | -45.3 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 111 | L15 S16 V21 G22 T24 I29 | L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 2.91Å; S16-V19 PolarHBondContact O-N 2.68Å; V19-V21 VanDerWaalsContact C-N 3.29Å; V19-V21 PolarHBondContact O-N 2.7Å; V19-G22 PolarHBondContact O-N 2.95Å; V19-T24 WeakPolarHBondContact CA-O 3.49Å; V19-T24 HydrophobicContact CG2-CG2 4.06Å; V19-I29 HydrophobicContact CG2-CD1 3.33Å |
| 20 | S | 83.5 | Confident | 81.3 | Confident | 96 Ų | 96 | 78.5 Ų | 78.5 | 67% | 0.671 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -65.4 | -31 | -179.6 | -57 | 0 | 0 | 0 | 0 | 113.3 | S16 R17 G22 | S16-S20 WeakPolarHBondContact O-CB 3.32Å; S16-S20 PolarHBondContact O-N 3.49Å; S16-S20 PolarHBondContact O-OG 2.92Å; R17-S20 PolarHBondContact O-N 3.4Å; S20-G22 VanDerWaalsContact C-N 3.27Å |
| 21 | V | 86.9 | Confident | 81.1 | Confident | 113 Ų | 113 | 77.1 Ų | 77.1 | 69% | 0.685 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -6.6 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 111.8 | R17 V19 A23 | R17-V21 WeakPolarHBondContact O-CB 3.44Å; R17-V21 VanDerWaalsContact O-CG2 3.23Å; R17-V21 WeakPolarHBondContact O-CG2 3.35Å; R17-V21 PolarHBondContact O-N 3.44Å; V19-V21 VanDerWaalsContact C-N 3.29Å; V19-V21 PolarHBondContact O-N 2.7Å; V21-A23 VanDerWaalsContact C-N 3.25Å; V21-A23 PolarHBondContact O-N 3.35Å |
| 22 | G | 78.9 | Confident | 80.5 | Confident | 63 Ų | 63 | 77.4 Ų | 77.4 | 65% | 0.649 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | 17.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | C18 V19 S20 T24 | C18-G22 PolarHBondContact O-N 3.43Å; V19-G22 PolarHBondContact O-N 2.95Å; S20-G22 VanDerWaalsContact C-N 3.27Å; G22-T24 VanDerWaalsContact C-N 3.29Å |
| 23 | A | 81.3 | Confident | 79.8 | Confident | 78 Ų | 78 | 83.1 Ų | 83.1 | 65% | 0.645 | 49% | 0.488 | S | S | * | . | S | Bend | trans | -76.4 | -19.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | C18 V21 | C18-A23 PolarHBondContact O-N 2.67Å; V21-A23 VanDerWaalsContact C-N 3.25Å; V21-A23 PolarHBondContact O-N 3.35Å |
| 24 | T | 76.3 | Confident | 79 | Confident | 35 Ų | 35 | 84.4 Ų | 84.4 | 22% | 0.215 | 50% | 0.498 | C | S | . | . | S | Bend | trans | -154.5 | 154.8 | 172.5 | -174.5 | 0 | 0 | 0 | 0 | 108.8 | C18 V19 G22 E28 I29 | C18-T24 HydrophobicContact CB-CG2 3.91Å; V19-T24 WeakPolarHBondContact CA-O 3.49Å; V19-T24 HydrophobicContact CG2-CG2 4.06Å; G22-T24 VanDerWaalsContact C-N 3.29Å; T24-E28 WeakPolarHBondContact CA-OE2 3.32Å; T24-E28 PolarHBondContact OG1-OE2 3.49Å; T24-I29 HydrophobicContact CG2-CD1 3.94Å; T24-I29 HydrophobicContact CG2-CG1 4.21Å |
| 25 | S | 81.8 | Confident | 77.9 | Confident | 45 Ų | 45 | 86.2 Ų | 86.2 | 32% | 0.315 | 50% | 0.504 | S | S | . | . | trans | -96.1 | 156.5 | 177.1 | 69.3 | 0 | 0 | 0 | 0 | 112.2 | D27 E28 I29 | S25-D27 PolarHBondContact O-N 3.36Å; S25-E28 PolarHBondContact N-OE2 3.13Å; S25-E28 WeakPolarHBondContact O-CB 3.43Å; S25-E28 PolarHBondContact O-N 3.27Å; S25-E28 WeakPolarHBondContact OG-CB 3.38Å; S25-E28 VanDerWaalsContact OG-CG 3.24Å; S25-E28 WeakPolarHBondContact OG-CG 3.48Å; S25-E28 PolarHBondContact OG-N 3.46Å; S25-I29 PolarHBondContact O-N 2.88Å | ||
| 26 | Q | 80.9 | Confident | 76.6 | Confident | 97 Ų | 97 | 88.9 Ų | 88.9 | 45% | 0.453 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.6 | -37.7 | 174.9 | -176.2 | 60.2 | 38.8 | 0 | 0 | 111.2 | E28 I29 D30 | Q26-E28 PolarHBondContact O-N 2.84Å; Q26-I29 PolarHBondContact O-N 3.39Å; Q26-D30 VanDerWaalsContact NE2-CG 3.35Å; Q26-D30 PolarHBondContact NE2-OD1 2.72Å; Q26-D30 VanDerWaalsContact NE2-OD1 3.08Å; Q26-D30 PolarHBondContact NE2-OD2 3.34Å; Q26-D30 WeakPolarHBondContact O-CB 3.48Å; Q26-D30 VanDerWaalsContact O-CG 3.28Å; Q26-D30 PolarHBondContact O-N 3.13Å |
| 27 | D | 79.2 | Confident | 75.5 | Confident | 121 Ų | 121 | 89 Ų | 89 | 65% | 0.647 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.8 | -35.2 | 177.5 | -65.7 | -22.7 | 0 | 0 | 0 | 112.6 | S25 S31 | S25-D27 PolarHBondContact O-N 3.36Å; D27-S31 WeakPolarHBondContact O-CB 3.34Å; D27-S31 PolarHBondContact O-N 3.41Å; D27-S31 PolarHBondContact O-OG 3.41Å |
| 28 | E | 77.3 | Confident | 74.4 | Confident | 110 Ų | 110 | 85 Ų | 85 | 51% | 0.514 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 174.2 | -80.3 | 164.5 | -166 | 0 | 0 | 111.9 | T24 S25 Q26 A32 | T24-E28 WeakPolarHBondContact CA-OE2 3.32Å; T24-E28 PolarHBondContact OG1-OE2 3.49Å; S25-E28 PolarHBondContact N-OE2 3.13Å; S25-E28 WeakPolarHBondContact O-CB 3.43Å; S25-E28 PolarHBondContact O-N 3.27Å; S25-E28 WeakPolarHBondContact OG-CB 3.38Å; S25-E28 VanDerWaalsContact OG-CG 3.24Å; S25-E28 WeakPolarHBondContact OG-CG 3.48Å; S25-E28 PolarHBondContact OG-N 3.46Å; Q26-E28 PolarHBondContact O-N 2.84Å; E28-A32 WeakPolarHBondContact O-CB 3.49Å; E28-A32 PolarHBondContact O-N 2.88Å |
| 29 | I | 76.6 | Confident | 73.6 | Confident | 23 Ų | 23 | 88.6 Ų | 88.6 | 12% | 0.118 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -63.7 | -50.4 | 176.1 | -64.6 | 178.3 | 0 | 0 | 0 | 109.5 | V19 T24 S25 Q26 S31 A32 F33 | V19-I29 HydrophobicContact CG2-CD1 3.33Å; T24-I29 HydrophobicContact CG2-CD1 3.94Å; T24-I29 HydrophobicContact CG2-CG1 4.21Å; S25-I29 PolarHBondContact O-N 2.88Å; Q26-I29 PolarHBondContact O-N 3.39Å; I29-S31 VanDerWaalsContact C-N 3.27Å; I29-S31 PolarHBondContact O-N 3.17Å; I29-A32 PolarHBondContact O-N 3.27Å; I29-F33 HydrophobicContact CG2-CD2 3.95Å; I29-F33 HydrophobicContact CG2-CE2 3.72Å; I29-F33 WeakPolarHBondContact O-CD2 3.46Å; I29-F33 PolarHBondContact O-N 3.11Å |
| 30 | D | 79.5 | Confident | 72.8 | Confident | 75 Ų | 75 | 92.3 Ų | 92.3 | 40% | 0.401 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66 | -30.6 | -177.8 | -67 | -26.1 | 0 | 0 | 0 | 112.2 | Q26 S34 | Q26-D30 VanDerWaalsContact NE2-CG 3.35Å; Q26-D30 PolarHBondContact NE2-OD1 2.72Å; Q26-D30 VanDerWaalsContact NE2-OD1 3.08Å; Q26-D30 PolarHBondContact NE2-OD2 3.34Å; Q26-D30 WeakPolarHBondContact O-CB 3.48Å; Q26-D30 VanDerWaalsContact O-CG 3.28Å; Q26-D30 PolarHBondContact O-N 3.13Å; D30-S34 WeakPolarHBondContact O-CB 3.46Å; D30-S34 PolarHBondContact O-N 3.21Å; D30-S34 VanDerWaalsContact O-N 3.17Å; D30-S34 PolarHBondContact O-OG 3.41Å |
| 31 | S | 75.4 | Confident | 72.8 | Confident | 71 Ų | 71 | 91.3 Ų | 91.3 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -71.1 | -40.5 | 172.8 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | D27 I29 F33 S34 E35 | D27-S31 WeakPolarHBondContact O-CB 3.34Å; D27-S31 PolarHBondContact O-N 3.41Å; D27-S31 PolarHBondContact O-OG 3.41Å; I29-S31 VanDerWaalsContact C-N 3.27Å; I29-S31 PolarHBondContact O-N 3.17Å; S31-F33 PolarHBondContact O-N 2.97Å; S31-S34 PolarHBondContact O-N 2.95Å; S31-E35 PolarHBondContact O-N 3.31Å |
| 32 | A | 69.8 | Low | 72.6 | Confident | 65 Ų | 65 | 89 Ų | 89 | 54% | 0.537 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.7 | -27.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | E28 I29 | E28-A32 WeakPolarHBondContact O-CB 3.49Å; E28-A32 PolarHBondContact O-N 2.88Å; I29-A32 PolarHBondContact O-N 3.27Å |
| 33 | F | 66.3 | Low | 72.9 | Confident | 161 Ų | 161 | 96 Ų | 96 | 71% | 0.706 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -90.8 | -12 | 173.3 | -69 | -71 | 0 | 0 | 0 | 114 | I29 S31 | I29-F33 HydrophobicContact CG2-CD2 3.95Å; I29-F33 HydrophobicContact CG2-CE2 3.72Å; I29-F33 WeakPolarHBondContact O-CD2 3.46Å; I29-F33 PolarHBondContact O-N 3.11Å; S31-F33 PolarHBondContact O-N 2.97Å |
| 34 | S | 63.8 | Low | 73.2 | Confident | 97 Ų | 97 | 96.2 Ų | 96.2 | 68% | 0.678 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -90.4 | -23.4 | 179 | -68 | 0 | 0 | 0 | 0 | 113.4 | D30 S31 | D30-S34 WeakPolarHBondContact O-CB 3.46Å; D30-S34 PolarHBondContact O-N 3.21Å; D30-S34 VanDerWaalsContact O-N 3.17Å; D30-S34 PolarHBondContact O-OG 3.41Å; S31-S34 PolarHBondContact O-N 2.95Å |
| 35 | E | 60.4 | Low | 73.8 | Confident | 141 Ų | 141 | 97 Ų | 97 | 66% | 0.659 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -70 | 130.7 | 172.8 | -73.8 | -166 | 163.2 | 0 | 0 | 110.7 | S31 S37 | S31-E35 PolarHBondContact O-N 3.31Å; E35-S37 PolarHBondContact O-N 3.32Å |
| 36 | P | 56.9 | Low | 74.2 | Confident | 134 Ų | 134 | 100.8 Ų | 100.8 | 87% | 0.87 | 56% | 0.558 | S | S | * | * | trans | -75.9 | 43.2 | 177.9 | 34 | -35.6 | 0 | 0 | 0 | 111.2 | ||||
| 37 | S | 59.7 | Low | 74.7 | Confident | 72 Ų | 72 | 98.1 Ų | 98.1 | 50% | 0.503 | 55% | 0.552 | S | S | . | * | trans | -70.8 | 129.3 | 166.7 | 72.3 | 0 | 0 | 0 | 0 | 107.3 | E35 V39 | E35-S37 PolarHBondContact O-N 3.32Å; S37-V39 PolarHBondContact O-N 2.89Å | ||
| 38 | P | 59.9 | Low | 75.3 | Confident | 93 Ų | 93 | 97 Ų | 97 | 60% | 0.604 | 54% | 0.543 | S | S | * | . | trans | -63.3 | 118.4 | 178.7 | 26.4 | -32.5 | 0 | 0 | 0 | 107.7 | F40 | P38-F40 WeakPolarHBondContact CB-O 3.46Å; P38-F40 PolarHBondContact O-N 3.42Å | ||
| 39 | V | 64.4 | Low | 76.1 | Confident | 129 Ų | 129 | 96 Ų | 96 | 78% | 0.782 | 54% | 0.538 | S | S | * | . | S | Bend | trans | -52.7 | -18.8 | 177.3 | 176 | 0 | 0 | 0 | 0 | 112 | S37 | S37-V39 PolarHBondContact O-N 2.89Š|
| 40 | F | 69.9 | Low | 77 | Confident | 119 Ų | 119 | 100.6 Ų | 100.6 | 52% | 0.522 | 56% | 0.562 | S | S | . | * | S | Bend | trans | -124.5 | 151.5 | 179.2 | -65.8 | -64.1 | 0 | 0 | 0 | 111.4 | P38 L44 | P38-F40 WeakPolarHBondContact CB-O 3.46Å; P38-F40 PolarHBondContact O-N 3.42Å; F40-L44 HydrophobicContact CB-CB 4.32Å; F40-L44 HydrophobicContact CB-CD2 3.86Å; F40-L44 HydrophobicContact CB-CG 4.33Å; F40-L44 HydrophobicContact CD1-CD2 3.48Å; F40-L44 VanDerWaalsContact CD1-CD2 3.48Å; F40-L44 HydrophobicContact CE1-CD2 4.23Å; F40-L44 HydrophobicContact CG-CD2 3.8Å |
| 41 | S | 83.6 | Confident | 77.8 | Confident | 76 Ų | 76 | 102.7 Ų | 102.7 | 53% | 0.531 | 57% | 0.573 | S | S | . | * | trans | -57.4 | 145.9 | 175.8 | 73.5 | 0 | 0 | 0 | 0 | 111.4 | R43 L44 C45 | S41-R43 PolarHBondContact O-N 3.43Å; S41-L44 WeakPolarHBondContact O-CB 3.44Å; S41-L44 PolarHBondContact O-N 3.47Å; S41-L44 PolarHBondContact OG-N 2.99Å; S41-C45 PolarHBondContact O-N 3.06Å | ||
| 42 | A | 83.2 | Confident | 78.9 | Confident | 65 Ų | 65 | 104.7 Ų | 104.7 | 54% | 0.537 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -51 | -36 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113 | L44 C45 E46 | A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.32Å; A42-C45 PolarHBondContact O-N 3.47Å; A42-E46 WeakPolarHBondContact O-CG 3.36Å; A42-E46 PolarHBondContact O-N 3.48Å |
| 43 | R | 85.3 | Confident | 80.2 | Confident | 208 Ų | 208 | 108.2 Ų | 108.2 | 79% | 0.785 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.7 | -34.7 | 175.7 | -65.9 | -174.2 | -179.7 | -172.1 | 0.4 | 113.6 | S41 A47 | S41-R43 PolarHBondContact O-N 3.43Å; R43-A47 WeakPolarHBondContact O-CB 3.41Å; R43-A47 PolarHBondContact O-N 3.01Å |
| 44 | L | 87.9 | Confident | 81.7 | Confident | 84 Ų | 84 | 105.3 Ų | 105.3 | 44% | 0.44 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.9 | -41.2 | 178.3 | -178.2 | 58.2 | 0 | 0 | 0 | 110.7 | F40 S41 A42 A47 E48 | F40-L44 HydrophobicContact CB-CB 4.32Å; F40-L44 HydrophobicContact CB-CD2 3.86Å; F40-L44 HydrophobicContact CB-CG 4.33Å; F40-L44 HydrophobicContact CD1-CD2 3.48Å; F40-L44 VanDerWaalsContact CD1-CD2 3.48Å; F40-L44 HydrophobicContact CE1-CD2 4.23Å; F40-L44 HydrophobicContact CG-CD2 3.8Å; S41-L44 WeakPolarHBondContact O-CB 3.44Å; S41-L44 PolarHBondContact O-N 3.47Å; S41-L44 PolarHBondContact OG-N 2.99Å; A42-L44 VanDerWaalsContact C-N 3.33Å; A42-L44 PolarHBondContact O-N 3.32Å; L44-A47 PolarHBondContact O-N 2.73Å; L44-E48 WeakPolarHBondContact O-CB 3.45Å; L44-E48 PolarHBondContact O-N 3.41Å |
| 45 | C | 87 | Confident | 83.3 | Confident | 51 Ų | 51 | 108.1 Ų | 108.1 | 35% | 0.345 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.9 | -43.6 | 173.5 | -64.4 | 0 | 0 | 0 | 0 | 111.7 | S41 A42 E48 E49 | S41-C45 PolarHBondContact O-N 3.06Å; A42-C45 PolarHBondContact O-N 3.47Å; C45-E48 PolarHBondContact O-N 3.02Å; C45-E49 WeakPolarHBondContact O-CG 3.38Å; C45-E49 PolarHBondContact O-N 3.26Å |
| 46 | E | 90.3 | Very high | 85.1 | Confident | 125 Ų | 125 | 108.1 Ų | 108.1 | 58% | 0.584 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.2 | -43.4 | 174.6 | -74.1 | 170.5 | -172.4 | 0 | 0 | 112.2 | A42 E49 L50 | A42-E46 WeakPolarHBondContact O-CG 3.36Å; A42-E46 PolarHBondContact O-N 3.48Å; E46-E49 PolarHBondContact O-N 3.5Å; E46-L50 WeakPolarHBondContact O-CG 3.48Å; E46-L50 PolarHBondContact O-N 3.42Å |
| 47 | A | 92.5 | Very high | 87 | Confident | 40 Ų | 40 | 106.2 Ų | 106.2 | 33% | 0.331 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R43 L44 L50 I51 | R43-A47 WeakPolarHBondContact O-CB 3.41Å; R43-A47 PolarHBondContact O-N 3.01Å; L44-A47 PolarHBondContact O-N 2.73Å; A47-L50 PolarHBondContact O-N 3.34Å; A47-I51 VanDerWaalsContact O-CG1 3.25Å; A47-I51 WeakPolarHBondContact O-CG1 3.46Å; A47-I51 PolarHBondContact O-N 2.99Å |
| 48 | E | 91.9 | Very high | 88.9 | Confident | 98 Ų | 98 | 106 Ų | 106 | 46% | 0.458 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 175.4 | -168.8 | -171.6 | 153.2 | 0 | 0 | 111.6 | L44 C45 I51 R52 | L44-E48 WeakPolarHBondContact O-CB 3.45Å; L44-E48 PolarHBondContact O-N 3.41Å; C45-E48 PolarHBondContact O-N 3.02Å; E48-I51 PolarHBondContact O-N 3.24Å; E48-R52 WeakPolarHBondContact O-CB 3.45Å; E48-R52 PolarHBondContact O-N 2.95Å; E48-R52 IonicContact OE1-CZ 3.78Å; E48-R52 IonicContact OE1-NH2 3.76Å; E48-R52 PolarHBondContact OE1-NH2 3.45Å |
| 49 | E | 93.9 | Very high | 90.7 | Very high | 90 Ų | 90 | 105.6 Ų | 105.6 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.2 | -40.5 | 175.2 | -72.9 | -57 | 148.9 | 0 | 0 | 112.6 | C45 E46 R52 K53 | C45-E49 WeakPolarHBondContact O-CG 3.38Å; C45-E49 PolarHBondContact O-N 3.26Å; E46-E49 PolarHBondContact O-N 3.5Å; E49-R52 PolarHBondContact O-N 3.47Å; E49-R52 IonicContact OE1-CZ 3.31Å; E49-R52 IonicContact OE1-NH1 2.73Å; E49-R52 PolarHBondContact OE1-NH1 2.68Å; E49-R52 IonicContact OE2-NH1 3.82Å; E49-R52 PolarHBondContact OE2-NH1 2.78Å; E49-K53 WeakPolarHBondContact O-CB 3.49Å; E49-K53 VanDerWaalsContact O-CG 3.29Å; E49-K53 WeakPolarHBondContact O-CG 3.43Å; E49-K53 PolarHBondContact O-N 2.92Å |
| 50 | L | 96.3 | Very high | 92.3 | Very high | 118 Ų | 118 | 102.9 Ų | 102.9 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.9 | -44 | 175.3 | -75.7 | 175.9 | 0 | 0 | 0 | 111.7 | E46 A47 R52 K53 Q54 | E46-L50 WeakPolarHBondContact O-CG 3.48Å; E46-L50 PolarHBondContact O-N 3.42Å; A47-L50 PolarHBondContact O-N 3.34Å; L50-R52 VanDerWaalsContact C-N 3.33Å; L50-R52 PolarHBondContact O-N 3.12Å; L50-K53 PolarHBondContact O-N 3.2Å; L50-Q54 WeakPolarHBondContact O-CB 3.49Å; L50-Q54 PolarHBondContact O-N 3.29Å |
| 51 | I | 96.4 | Very high | 93.6 | Very high | 120 Ų | 120 | 101.7 Ų | 101.7 | 62% | 0.615 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.9 | -43.4 | 175.9 | -69.3 | 164.4 | 0 | 0 | 0 | 110.3 | A47 E48 K53 Q54 K55 | A47-I51 VanDerWaalsContact O-CG1 3.25Å; A47-I51 WeakPolarHBondContact O-CG1 3.46Å; A47-I51 PolarHBondContact O-N 2.99Å; E48-I51 PolarHBondContact O-N 3.24Å; I51-K53 PolarHBondContact O-N 3.34Å; I51-Q54 PolarHBondContact O-N 3.34Å; I51-K55 WeakPolarHBondContact O-CB 3.34Å; I51-K55 PolarHBondContact O-N 3.5Å |
| 52 | R | 97.3 | Very high | 94.3 | Very high | 112 Ų | 112 | 103.5 Ų | 103.5 | 42% | 0.423 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 177.5 | -174.1 | -176.9 | -68.9 | 103 | 1.9 | 111.4 | E48 E49 L50 R56 | E48-R52 WeakPolarHBondContact O-CB 3.45Å; E48-R52 PolarHBondContact O-N 2.95Å; E48-R52 IonicContact OE1-CZ 3.78Å; E48-R52 IonicContact OE1-NH2 3.76Å; E48-R52 PolarHBondContact OE1-NH2 3.45Å; E49-R52 PolarHBondContact O-N 3.47Å; E49-R52 IonicContact OE1-CZ 3.31Å; E49-R52 IonicContact OE1-NH1 2.73Å; E49-R52 PolarHBondContact OE1-NH1 2.68Å; E49-R52 IonicContact OE2-NH1 3.82Å; E49-R52 PolarHBondContact OE2-NH1 2.78Å; L50-R52 VanDerWaalsContact C-N 3.33Å; L50-R52 PolarHBondContact O-N 3.12Å; R52-R56 PolarHBondContact O-N 2.91Å; R52-R56 VanDerWaalsContact O-N 3.1Å |
| 53 | K | 97 | Very high | 95.1 | Very high | 140 Ų | 140 | 105 Ų | 105 | 61% | 0.609 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.1 | -43.3 | 176.9 | -73.8 | 174.3 | -176.4 | 174.7 | 0 | 112 | E49 L50 I51 R56 L57 | E49-K53 WeakPolarHBondContact O-CB 3.49Å; E49-K53 VanDerWaalsContact O-CG 3.29Å; E49-K53 WeakPolarHBondContact O-CG 3.43Å; E49-K53 PolarHBondContact O-N 2.92Å; L50-K53 PolarHBondContact O-N 3.2Å; I51-K53 PolarHBondContact O-N 3.34Å; K53-R56 WeakPolarHBondContact O-CB 3.42Å; K53-R56 PolarHBondContact O-N 3.03Å; K53-L57 PolarHBondContact O-N 3Å |
| 54 | Q | 97.4 | Very high | 95.7 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.1 | -47.5 | 177.3 | -174 | 60.4 | 43.5 | 0 | 0 | 110.8 | L50 I51 R56 L57 D58 | L50-Q54 WeakPolarHBondContact O-CB 3.49Å; L50-Q54 PolarHBondContact O-N 3.29Å; I51-Q54 PolarHBondContact O-N 3.34Å; Q54-R56 PolarHBondContact O-N 2.9Å; Q54-L57 WeakPolarHBondContact O-CA 3.23Å; Q54-L57 WeakPolarHBondContact O-CB 3.31Å; Q54-L57 PolarHBondContact O-N 3.22Å; Q54-D58 PolarHBondContact NE2-OD1 2.88Å; Q54-D58 VanDerWaalsContact O-CG 3.23Å; Q54-D58 PolarHBondContact O-N 2.91Å |
| 55 | K | 97.8 | Very high | 96.2 | Very high | 156 Ų | 156 | 101.4 Ų | 101.4 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.9 | -38.7 | 175.9 | -175 | -179.9 | 179 | -177.6 | 0 | 111.9 | I51 E59 | I51-K55 WeakPolarHBondContact O-CB 3.34Å; I51-K55 PolarHBondContact O-N 3.5Å; K55-E59 WeakPolarHBondContact O-CB 3.33Å; K55-E59 PolarHBondContact O-N 3.09Å |
| 56 | R | 97.9 | Very high | 96.7 | Very high | 140 Ų | 140 | 104.9 Ų | 104.9 | 53% | 0.528 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.5 | -37.4 | 176.6 | -175.7 | 56.8 | 174.5 | 178.2 | 3.9 | 112.3 | R52 K53 Q54 E59 V60 | R52-R56 PolarHBondContact O-N 2.91Å; R52-R56 VanDerWaalsContact O-N 3.1Å; K53-R56 WeakPolarHBondContact O-CB 3.42Å; K53-R56 PolarHBondContact O-N 3.03Å; Q54-R56 PolarHBondContact O-N 2.9Å; R56-E59 WeakPolarHBondContact CD-OE2 3.49Å; R56-E59 IonicContact CZ-OE2 2.76Å; R56-E59 IonicContact NH1-OE1 3.15Å; R56-E59 PolarHBondContact NH1-OE1 3.04Å; R56-E59 IonicContact NH1-OE2 2.97Å; R56-E59 PolarHBondContact NH1-OE2 3.03Å; R56-V60 WeakPolarHBondContact O-CG2 3.29Å; R56-V60 PolarHBondContact O-N 3.25Å; R56-V60 VanDerWaalsContact O-N 3.12Å |
| 57 | L | 98.3 | Very high | 97 | Very high | 95 Ų | 95 | 104.7 Ų | 104.7 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 174.8 | -168.4 | 158.6 | 0 | 0 | 0 | 110.3 | K53 Q54 E59 V60 Q61 | K53-L57 PolarHBondContact O-N 3Å; Q54-L57 WeakPolarHBondContact O-CA 3.23Å; Q54-L57 WeakPolarHBondContact O-CB 3.31Å; Q54-L57 PolarHBondContact O-N 3.22Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 2.72Å; L57-V60 PolarHBondContact O-N 2.91Å; L57-Q61 WeakPolarHBondContact O-CB 3.29Å; L57-Q61 PolarHBondContact O-N 3.09Å |
| 58 | D | 98.1 | Very high | 97.2 | Very high | 68 Ų | 68 | 108.5 Ų | 108.5 | 36% | 0.364 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60 | -42 | 178.8 | -59.4 | -21.2 | 0 | 0 | 0 | 111.3 | Q54 Q61 L62 | Q54-D58 PolarHBondContact NE2-OD1 2.88Å; Q54-D58 VanDerWaalsContact O-CG 3.23Å; Q54-D58 PolarHBondContact O-N 2.91Å; D58-Q61 PolarHBondContact O-N 3.48Å; D58-L62 VanDerWaalsContact O-CG 3.31Å; D58-L62 WeakPolarHBondContact O-CG 3.44Å; D58-L62 PolarHBondContact O-N 3.31Å |
| 59 | E | 98.3 | Very high | 97.4 | Very high | 84 Ų | 84 | 108 Ų | 108 | 39% | 0.393 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 175.7 | -173.9 | -171.3 | 178.1 | 0 | 0 | 111.9 | K55 R56 L57 L62 Q63 | K55-E59 WeakPolarHBondContact O-CB 3.33Å; K55-E59 PolarHBondContact O-N 3.09Å; R56-E59 WeakPolarHBondContact CD-OE2 3.49Å; R56-E59 IonicContact CZ-OE2 2.76Å; R56-E59 IonicContact NH1-OE1 3.15Å; R56-E59 PolarHBondContact NH1-OE1 3.04Å; R56-E59 IonicContact NH1-OE2 2.97Å; R56-E59 PolarHBondContact NH1-OE2 3.03Å; L57-E59 VanDerWaalsContact C-N 3.31Å; L57-E59 PolarHBondContact O-N 2.72Å; E59-L62 PolarHBondContact O-N 3.32Å; E59-Q63 WeakPolarHBondContact O-CG 3.4Å; E59-Q63 PolarHBondContact O-N 3.45Å |
| 60 | V | 97.9 | Very high | 97.4 | Very high | 71 Ų | 71 | 107 Ų | 107 | 43% | 0.43 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 179.2 | 172.3 | 0 | 0 | 0 | 0 | 111 | R56 L57 Q63 L64 | R56-V60 WeakPolarHBondContact O-CG2 3.29Å; R56-V60 PolarHBondContact O-N 3.25Å; R56-V60 VanDerWaalsContact O-N 3.12Å; L57-V60 PolarHBondContact O-N 2.91Å; V60-Q63 PolarHBondContact O-N 2.95Å; V60-L64 PolarHBondContact O-N 3.39Å |
| 61 | Q | 98.3 | Very high | 97.3 | Very high | 94 Ų | 94 | 108.6 Ų | 108.6 | 44% | 0.439 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.3 | -44.3 | 176 | -178.1 | 175.7 | -20.5 | 0 | 0 | 111.3 | L57 D58 Q63 L64 E65 | L57-Q61 WeakPolarHBondContact O-CB 3.29Å; L57-Q61 PolarHBondContact O-N 3.09Å; D58-Q61 PolarHBondContact O-N 3.48Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 2.94Å; Q61-L64 WeakPolarHBondContact O-CB 3.44Å; Q61-L64 PolarHBondContact O-N 2.9Å; Q61-E65 PolarHBondContact NE2-OE1 2.99Å; Q61-E65 WeakPolarHBondContact O-CG 3.47Å; Q61-E65 PolarHBondContact O-N 3.48Å |
| 62 | L | 98.4 | Very high | 97.2 | Very high | 114 Ų | 114 | 109.4 Ų | 109.4 | 60% | 0.597 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.1 | -39.2 | 176.5 | -72.5 | 169.3 | 0 | 0 | 0 | 112.1 | D58 E59 L64 E65 L66 | D58-L62 VanDerWaalsContact O-CG 3.31Å; D58-L62 WeakPolarHBondContact O-CG 3.44Å; D58-L62 PolarHBondContact O-N 3.31Å; E59-L62 PolarHBondContact O-N 3.32Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-E65 PolarHBondContact O-N 3.34Å; L62-L66 WeakPolarHBondContact O-CB 3.26Å; L62-L66 PolarHBondContact O-N 3.47Å |
| 63 | Q | 98.2 | Very high | 96.9 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.3 | -40.1 | 174.6 | -72.8 | 176.6 | -0.5 | 0 | 0 | 112.1 | E59 V60 Q61 L66 L67 | E59-Q63 WeakPolarHBondContact O-CG 3.4Å; E59-Q63 PolarHBondContact O-N 3.45Å; V60-Q63 PolarHBondContact O-N 2.95Å; Q61-Q63 VanDerWaalsContact C-N 3.33Å; Q61-Q63 PolarHBondContact O-N 2.94Å; Q63-L66 PolarHBondContact O-N 3.26Å; Q63-L67 WeakPolarHBondContact O-CG 3.33Å; Q63-L67 PolarHBondContact O-N 3.49Å |
| 64 | L | 98 | Very high | 96.6 | Very high | 120 Ų | 120 | 99.9 Ų | 99.9 | 63% | 0.628 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.3 | -46.4 | 175.2 | -172.6 | 91.6 | 0 | 0 | 0 | 111.4 | V60 Q61 L62 L66 L67 K68 | V60-L64 PolarHBondContact O-N 3.39Å; Q61-L64 WeakPolarHBondContact O-CB 3.44Å; Q61-L64 PolarHBondContact O-N 2.9Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.39Å; L64-L67 PolarHBondContact O-N 3.21Å; L64-K68 WeakPolarHBondContact O-CB 3.46Å; L64-K68 PolarHBondContact O-N 3.09Å |
| 65 | E | 98.1 | Very high | 96.1 | Very high | 96 Ų | 96 | 98.4 Ų | 98.4 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.6 | -40.9 | 178.1 | -74 | -178.4 | -168.9 | 0 | 0 | 111.6 | Q61 L62 K68 V69 | Q61-E65 PolarHBondContact NE2-OE1 2.99Å; Q61-E65 WeakPolarHBondContact O-CG 3.47Å; Q61-E65 PolarHBondContact O-N 3.48Å; L62-E65 PolarHBondContact O-N 3.34Å; E65-K68 PolarHBondContact O-N 3.43Å; E65-V69 WeakPolarHBondContact O-CG2 3.29Å; E65-V69 PolarHBondContact O-N 2.93Å |
| 66 | L | 97.6 | Very high | 95.7 | Very high | 125 Ų | 125 | 95.3 Ų | 95.3 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60 | -47.9 | 175.2 | -178.9 | 64.8 | 0 | 0 | 0 | 111.7 | L62 Q63 L64 K68 V69 D70 | L62-L66 WeakPolarHBondContact O-CB 3.26Å; L62-L66 PolarHBondContact O-N 3.47Å; Q63-L66 PolarHBondContact O-N 3.26Å; L64-L66 VanDerWaalsContact C-N 3.33Å; L64-L66 PolarHBondContact O-N 3.39Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.93Å; L66-V69 PolarHBondContact O-N 3.35Å; L66-D70 PolarHBondContact O-N 2.91Å |
| 67 | L | 96.4 | Very high | 95.2 | Very high | 120 Ų | 120 | 91.5 Ų | 91.5 | 63% | 0.628 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.6 | -39.6 | 177.9 | -73.5 | 169.2 | 0 | 0 | 0 | 111.9 | Q63 L64 D70 E71 | Q63-L67 WeakPolarHBondContact O-CG 3.33Å; Q63-L67 PolarHBondContact O-N 3.49Å; L64-L67 PolarHBondContact O-N 3.21Å; L67-D70 PolarHBondContact O-N 3.19Å; L67-E71 WeakPolarHBondContact O-CB 3.38Å; L67-E71 PolarHBondContact O-N 3Å |
| 68 | K | 97.3 | Very high | 95 | Very high | 120 Ų | 120 | 90.4 Ų | 90.4 | 52% | 0.522 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 177.2 | -173.5 | 178.7 | -179.3 | -178.6 | 0 | 111.8 | L64 E65 L66 Q72 | L64-K68 WeakPolarHBondContact O-CB 3.46Å; L64-K68 PolarHBondContact O-N 3.09Å; E65-K68 PolarHBondContact O-N 3.43Å; L66-K68 VanDerWaalsContact C-N 3.31Å; L66-K68 PolarHBondContact O-N 2.93Å; K68-Q72 WeakPolarHBondContact O-CB 3.44Å; K68-Q72 VanDerWaalsContact O-CG 3.23Å; K68-Q72 WeakPolarHBondContact O-CG 3.31Å; K68-Q72 PolarHBondContact O-N 3.43Å |
| 69 | V | 96.6 | Very high | 94.7 | Very high | 87 Ų | 87 | 89.3 Ų | 89.3 | 53% | 0.527 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.6 | -40.3 | 176.1 | 172.1 | 0 | 0 | 0 | 0 | 110.9 | E65 L66 Q72 S73 | E65-V69 WeakPolarHBondContact O-CG2 3.29Å; E65-V69 PolarHBondContact O-N 2.93Å; L66-V69 PolarHBondContact O-N 3.35Å; V69-Q72 PolarHBondContact O-N 2.96Å; V69-S73 WeakPolarHBondContact O-CB 3.43Å; V69-S73 PolarHBondContact O-N 2.97Å; V69-S73 PolarHBondContact O-OG 2.95Å |
| 70 | D | 94.1 | Very high | 94.3 | Very high | 71 Ų | 71 | 92.6 Ų | 92.6 | 38% | 0.38 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 175.8 | -171.2 | 64.3 | 0 | 0 | 0 | 111.7 | L66 L67 Q72 S73 A74 H78 | L66-D70 PolarHBondContact O-N 2.91Å; L67-D70 PolarHBondContact O-N 3.19Å; D70-Q72 PolarHBondContact O-N 3.44Å; D70-S73 CarbonylContact O-C 3.49Å; D70-S73 PolarHBondContact O-N 3.17Å; D70-S73 PolarHBondContact O-OG 2.87Å; D70-A74 WeakPolarHBondContact O-CA 3.37Å; D70-A74 WeakPolarHBondContact O-CB 3.33Å; D70-A74 PolarHBondContact O-N 2.91Å; D70-H78 IonicContact OD1-CE1 3.4Å; D70-H78 PolarHBondContact OD1-CE1 2.98Å; D70-H78 IonicContact OD1-NE2 2.69Å; D70-H78 PolarHBondContact OD1-NE2 3.38Å; D70-H78 VanDerWaalsContact OD1-NE2 3.15Å; D70-H78 IonicContact OD2-CE1 3.61Å; D70-H78 IonicContact OD2-NE2 2.99Å; D70-H78 PolarHBondContact OD2-NE2 3.35Å |
| 71 | E | 93.7 | Very high | 93.9 | Very high | 151 Ų | 151 | 92.8 Ų | 92.8 | 71% | 0.706 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 175.3 | -173.8 | -174.1 | -179.6 | 0 | 0 | 111.8 | L67 S73 A74 | L67-E71 WeakPolarHBondContact O-CB 3.38Å; L67-E71 PolarHBondContact O-N 3Å; E71-S73 VanDerWaalsContact C-N 3.28Å; E71-S73 PolarHBondContact O-N 3.35Å; E71-A74 VanDerWaalsContact O-CB 3.27Å; E71-A74 WeakPolarHBondContact O-CB 3.32Å; E71-A74 PolarHBondContact O-N 3.33Å |
| 72 | Q | 94.2 | Very high | 93.7 | Very high | 136 Ų | 136 | 91.9 Ų | 91.9 | 64% | 0.636 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -67.6 | -28.5 | 179.1 | -74.2 | 179.2 | -3.6 | 0 | 0 | 113.3 | K68 V69 D70 | K68-Q72 WeakPolarHBondContact O-CB 3.44Å; K68-Q72 VanDerWaalsContact O-CG 3.23Å; K68-Q72 WeakPolarHBondContact O-CG 3.31Å; K68-Q72 PolarHBondContact O-N 3.43Å; V69-Q72 PolarHBondContact O-N 2.96Å; D70-Q72 PolarHBondContact O-N 3.44Å |
| 73 | S | 92.2 | Very high | 93.5 | Very high | 37 Ų | 37 | 89.5 Ų | 89.5 | 26% | 0.259 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -100.7 | 3.4 | 179.3 | 61.5 | 0 | 0 | 0 | 0 | 113.3 | V69 D70 E71 D75 V76 A77 | V69-S73 WeakPolarHBondContact O-CB 3.43Å; V69-S73 PolarHBondContact O-N 2.97Å; V69-S73 PolarHBondContact O-OG 2.95Å; D70-S73 CarbonylContact O-C 3.49Å; D70-S73 PolarHBondContact O-N 3.17Å; D70-S73 PolarHBondContact O-OG 2.87Å; E71-S73 VanDerWaalsContact C-N 3.28Å; E71-S73 PolarHBondContact O-N 3.35Å; S73-D75 PolarHBondContact O-N 2.87Å; S73-D75 VanDerWaalsContact O-N 3.09Å; S73-V76 VanDerWaalsContact O-CG2 3.25Å; S73-V76 WeakPolarHBondContact O-CG2 3.24Å; S73-V76 PolarHBondContact O-N 3.39Å; S73-A77 VanDerWaalsContact O-CB 3.29Å; S73-A77 WeakPolarHBondContact O-CB 3.5Å; S73-A77 PolarHBondContact O-N 3.41Å |
| 74 | A | 89.4 | Confident | 93.2 | Very high | 16 Ų | 16 | 89.1 Ų | 89.1 | 13% | 0.132 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -56.4 | -32.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D70 E71 V76 H78 H81 | D70-A74 WeakPolarHBondContact O-CA 3.37Å; D70-A74 WeakPolarHBondContact O-CB 3.33Å; D70-A74 PolarHBondContact O-N 2.91Å; E71-A74 VanDerWaalsContact O-CB 3.27Å; E71-A74 WeakPolarHBondContact O-CB 3.32Å; E71-A74 PolarHBondContact O-N 3.33Å; A74-V76 PolarHBondContact O-N 2.95Å; A74-H78 VanDerWaalsContact CA-CD2 3.48Å; A74-H78 WeakPolarHBondContact CA-CD2 3.46Å; A74-H78 WeakPolarHBondContact O-CB 3.38Å; A74-H78 PolarHBondContact O-N 3.3Å; A74-H78 VanDerWaalsContact O-N 3.13Å; A74-H81 PolarHBondContact O-CD2 2.94Å |
| 75 | D | 86.6 | Confident | 93 | Very high | 68 Ų | 68 | 88.4 Ų | 88.4 | 36% | 0.364 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.8 | -14.5 | -177.1 | 81.1 | -44.1 | 0 | 0 | 0 | 114.2 | S73 K85 | S73-D75 PolarHBondContact O-N 2.87Å; S73-D75 VanDerWaalsContact O-N 3.09Å; D75-K85 IonicContact OD2-NZ 2.84Å; D75-K85 PolarHBondContact OD2-NZ 2.93Å |
| 76 | V | 89.3 | Confident | 92.8 | Very high | 91 Ų | 91 | 87.4 Ų | 87.4 | 55% | 0.552 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -121.4 | -21.3 | 178.1 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | S73 A74 L82 | S73-V76 VanDerWaalsContact O-CG2 3.25Å; S73-V76 WeakPolarHBondContact O-CG2 3.24Å; S73-V76 PolarHBondContact O-N 3.39Å; A74-V76 PolarHBondContact O-N 2.95Å; V76-L82 WeakPolarHBondContact O-CD1 3.38Å |
| 77 | A | 88.7 | Confident | 92.7 | Very high | 60 Ų | 60 | 87.4 Ų | 87.4 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -93.6 | -36.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | S73 | S73-A77 VanDerWaalsContact O-CB 3.29Å; S73-A77 WeakPolarHBondContact O-CB 3.5Å; S73-A77 PolarHBondContact O-N 3.41Å |
| 78 | H | 92.9 | Very high | 92.6 | Very high | 72 Ų | 72 | 88 Ų | 88 | 33% | 0.333 | 46% | 0.461 | S | S | . | . | trans | -92 | 125.5 | -175.2 | -65.5 | -50.5 | 0 | 0 | 0 | 112 | D70 A74 F80 H81 L82 | D70-H78 IonicContact OD1-CE1 3.4Å; D70-H78 PolarHBondContact OD1-CE1 2.98Å; D70-H78 IonicContact OD1-NE2 2.69Å; D70-H78 PolarHBondContact OD1-NE2 3.38Å; D70-H78 VanDerWaalsContact OD1-NE2 3.15Å; D70-H78 IonicContact OD2-CE1 3.61Å; D70-H78 IonicContact OD2-NE2 2.99Å; D70-H78 PolarHBondContact OD2-NE2 3.35Å; A74-H78 VanDerWaalsContact CA-CD2 3.48Å; A74-H78 WeakPolarHBondContact CA-CD2 3.46Å; A74-H78 WeakPolarHBondContact O-CB 3.38Å; A74-H78 PolarHBondContact O-N 3.3Å; A74-H78 VanDerWaalsContact O-N 3.13Å; H78-F80 PolarHBondContact O-N 3.34Å; H78-F80 VanDerWaalsContact O-N 3.14Å; H78-H81 PolarHBondContact O-N 2.93Å; H78-L82 PolarHBondContact O-N 3.09Å; H78-L82 VanDerWaalsContact O-N 3.14Å | ||
| 79 | G | 92.8 | Very high | 92.6 | Very high | 46 Ų | 46 | 87.8 Ų | 87.8 | 47% | 0.474 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.6 | -31.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | S83 | G79-S83 VanDerWaalsContact O-CB 3.22Å; G79-S83 WeakPolarHBondContact O-CB 3.37Å; G79-S83 PolarHBondContact O-N 3.37Å; G79-S83 PolarHBondContact O-OG 3.33Å |
| 80 | F | 90.6 | Very high | 92.7 | Very high | 153 Ų | 153 | 88.6 Ų | 88.6 | 67% | 0.671 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61.1 | -51.1 | 177.3 | 176.7 | -99.7 | 0 | 0 | 0 | 112.5 | H78 Q84 | H78-F80 PolarHBondContact O-N 3.34Å; H78-F80 VanDerWaalsContact O-N 3.14Å; F80-Q84 PolarHBondContact O-N 3.27Å |
| 81 | H | 89.6 | Confident | 92.9 | Very high | 75 Ų | 75 | 91.3 Ų | 91.3 | 35% | 0.347 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.4 | -39.3 | 179.5 | -65.5 | -66.8 | 0 | 0 | 0 | 111.6 | A74 H78 Q84 K85 | A74-H81 PolarHBondContact O-CD2 2.94Å; H78-H81 PolarHBondContact O-N 2.93Å; H81-Q84 PolarHBondContact O-N 3.5Å; H81-K85 WeakPolarHBondContact O-CG 3.4Å; H81-K85 PolarHBondContact O-N 2.93Å |
| 82 | L | 93.1 | Very high | 93.1 | Very high | 75 Ų | 75 | 88.7 Ų | 88.7 | 39% | 0.393 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.2 | -47.1 | 174.6 | -77.8 | 176.3 | 0 | 0 | 0 | 112.5 | V76 H78 Q84 K85 N86 | V76-L82 WeakPolarHBondContact O-CD1 3.38Å; H78-L82 PolarHBondContact O-N 3.09Å; H78-L82 VanDerWaalsContact O-N 3.14Å; L82-Q84 VanDerWaalsContact C-N 3.32Å; L82-Q84 PolarHBondContact O-N 3.04Å; L82-K85 PolarHBondContact O-N 3.29Å; L82-N86 VanDerWaalsContact O-CB 3.29Å; L82-N86 WeakPolarHBondContact O-CB 3.4Å; L82-N86 PolarHBondContact O-N 2.91Å |
| 83 | S | 93.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 83.5 Ų | 83.5 | 44% | 0.441 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 178.5 | -75.1 | 0 | 0 | 0 | 0 | 111 | G79 K85 N86 E87 | G79-S83 VanDerWaalsContact O-CB 3.22Å; G79-S83 WeakPolarHBondContact O-CB 3.37Å; G79-S83 PolarHBondContact O-N 3.37Å; G79-S83 PolarHBondContact O-OG 3.33Å; S83-K85 PolarHBondContact O-N 3.46Å; S83-N86 PolarHBondContact O-N 3.45Å; S83-E87 WeakPolarHBondContact O-CG 3.39Å; S83-E87 PolarHBondContact O-N 2.8Å |
| 84 | Q | 92.8 | Very high | 93.5 | Very high | 89 Ų | 89 | 86.9 Ų | 86.9 | 42% | 0.416 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.6 | -42.3 | 176.6 | -169.6 | -171.1 | 52.4 | 0 | 0 | 112.4 | F80 H81 L82 K88 | F80-Q84 PolarHBondContact O-N 3.27Å; H81-Q84 PolarHBondContact O-N 3.5Å; L82-Q84 VanDerWaalsContact C-N 3.32Å; L82-Q84 PolarHBondContact O-N 3.04Å; Q84-K88 WeakPolarHBondContact O-CG 3.34Å; Q84-K88 PolarHBondContact O-N 3.46Å |
| 85 | K | 92.8 | Very high | 94 | Very high | 105 Ų | 105 | 92.1 Ų | 92.1 | 46% | 0.457 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 176.4 | -71.3 | 171.1 | 94.5 | 167.8 | 0 | 111 | D75 H81 L82 S83 K88 L89 | D75-K85 IonicContact OD2-NZ 2.84Å; D75-K85 PolarHBondContact OD2-NZ 2.93Å; H81-K85 WeakPolarHBondContact O-CG 3.4Å; H81-K85 PolarHBondContact O-N 2.93Å; L82-K85 PolarHBondContact O-N 3.29Å; S83-K85 PolarHBondContact O-N 3.46Å; K85-K88 PolarHBondContact O-N 3.33Å; K85-L89 PolarHBondContact O-N 2.93Å |
| 86 | N | 94.2 | Very high | 94.5 | Very high | 75 Ų | 75 | 93.3 Ų | 93.3 | 40% | 0.401 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.3 | -43.4 | 178.2 | -179.5 | 57.3 | 0 | 0 | 0 | 112 | L82 S83 K88 L89 Q90 | L82-N86 VanDerWaalsContact O-CB 3.29Å; L82-N86 WeakPolarHBondContact O-CB 3.4Å; L82-N86 PolarHBondContact O-N 2.91Å; S83-N86 PolarHBondContact O-N 3.45Å; N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 3.42Å; N86-L89 PolarHBondContact O-N 2.75Å; N86-Q90 PolarHBondContact ND2-NE2 3.25Å; N86-Q90 WeakPolarHBondContact O-CB 3.37Å; N86-Q90 VanDerWaalsContact O-CG 3.28Å; N86-Q90 WeakPolarHBondContact O-CG 3.37Å; N86-Q90 PolarHBondContact O-N 3.48Å |
| 87 | E | 95.9 | Very high | 95 | Very high | 126 Ų | 126 | 94.4 Ų | 94.4 | 59% | 0.589 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.1 | -45.2 | 175.1 | -77.2 | 174.2 | -174.5 | 0 | 0 | 112 | S83 L89 Q90 L91 | S83-E87 WeakPolarHBondContact O-CG 3.39Å; S83-E87 PolarHBondContact O-N 2.8Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 2.96Å; E87-Q90 PolarHBondContact O-N 3.36Å; E87-L91 WeakPolarHBondContact O-CB 3.36Å; E87-L91 PolarHBondContact O-N 2.91Å |
| 88 | K | 95.2 | Very high | 95.4 | Very high | 133 Ų | 133 | 92.9 Ų | 92.9 | 58% | 0.578 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -61.9 | -42.4 | 176 | -70.9 | 175.2 | -178.3 | 174.4 | 0 | 111.8 | Q84 K85 N86 L91 L92 | Q84-K88 WeakPolarHBondContact O-CG 3.34Å; Q84-K88 PolarHBondContact O-N 3.46Å; K85-K88 PolarHBondContact O-N 3.33Å; N86-K88 VanDerWaalsContact C-N 3.34Å; N86-K88 PolarHBondContact O-N 3.42Å; K88-L91 PolarHBondContact O-N 2.91Å; K88-L92 PolarHBondContact O-N 3.22Å |
| 89 | L | 96.9 | Very high | 95.6 | Very high | 115 Ų | 115 | 92.6 Ų | 92.6 | 60% | 0.602 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.6 | -41.1 | 178.1 | -172.5 | 66.7 | 0 | 0 | 0 | 111.7 | K85 N86 E87 L92 G93 | K85-L89 PolarHBondContact O-N 2.93Å; N86-L89 PolarHBondContact O-N 2.75Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 2.96Å; L89-L92 PolarHBondContact O-N 3.33Å; L89-G93 PolarHBondContact O-N 2.9Å |
| 90 | Q | 97.6 | Very high | 95.9 | Very high | 104 Ų | 104 | 95.8 Ų | 95.8 | 49% | 0.486 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.6 | -43.7 | 175.2 | -74.7 | 179.8 | -2.7 | 0 | 0 | 111.4 | N86 E87 L92 G93 N94 | N86-Q90 PolarHBondContact ND2-NE2 3.25Å; N86-Q90 WeakPolarHBondContact O-CB 3.37Å; N86-Q90 VanDerWaalsContact O-CG 3.28Å; N86-Q90 WeakPolarHBondContact O-CG 3.37Å; N86-Q90 PolarHBondContact O-N 3.48Å; E87-Q90 PolarHBondContact O-N 3.36Å; Q90-L92 PolarHBondContact O-N 2.94Å; Q90-G93 PolarHBondContact O-N 3.26Å; Q90-N94 WeakPolarHBondContact O-CB 3.3Å; Q90-N94 PolarHBondContact O-N 2.92Å; Q90-N94 PolarHBondContact O-ND2 3.35Å |
| 91 | L | 98.1 | Very high | 96.2 | Very high | 128 Ų | 128 | 97.6 Ų | 97.6 | 67% | 0.67 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.9 | -47 | 175.5 | -177.1 | 68.2 | 0 | 0 | 0 | 111.4 | E87 K88 N94 H95 | E87-L91 WeakPolarHBondContact O-CB 3.36Å; E87-L91 PolarHBondContact O-N 2.91Å; K88-L91 PolarHBondContact O-N 2.91Å; L91-N94 PolarHBondContact O-N 3.3Å; L91-H95 PolarHBondContact O-N 3.05Å |
| 92 | L | 98.1 | Very high | 96.6 | Very high | 95 Ų | 95 | 100.7 Ų | 100.7 | 50% | 0.497 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.4 | 177.6 | 61.8 | 0 | 0 | 0 | 111.7 | K88 L89 Q90 N94 H95 L96 | K88-L92 PolarHBondContact O-N 3.22Å; L89-L92 PolarHBondContact O-N 3.33Å; Q90-L92 PolarHBondContact O-N 2.94Å; L92-N94 VanDerWaalsContact C-N 3.34Å; L92-N94 PolarHBondContact O-N 2.9Å; L92-H95 PolarHBondContact O-N 2.98Å; L92-L96 HydrophobicContact CD1-CD1 4.16Å; L92-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 PolarHBondContact O-N 3.19Å |
| 93 | G | 98.2 | Very high | 96.8 | Very high | 28 Ų | 28 | 101.7 Ų | 101.7 | 29% | 0.289 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L89 Q90 L96 L97 | L89-G93 PolarHBondContact O-N 2.9Å; Q90-G93 PolarHBondContact O-N 3.26Å; G93-L96 PolarHBondContact O-N 2.9Å; G93-L97 WeakPolarHBondContact O-CB 3.47Å; G93-L97 WeakPolarHBondContact O-CG 3.38Å; G93-L97 PolarHBondContact O-N 3.01Å |
| 94 | N | 98 | Very high | 96.9 | Very high | 107 Ų | 107 | 104.7 Ų | 104.7 | 57% | 0.572 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -41.7 | 175.7 | -70.7 | -23 | 0 | 0 | 0 | 111.7 | Q90 L91 L92 L97 G98 | Q90-N94 WeakPolarHBondContact O-CB 3.3Å; Q90-N94 PolarHBondContact O-N 2.92Å; Q90-N94 PolarHBondContact O-ND2 3.35Å; L91-N94 PolarHBondContact O-N 3.3Å; L92-N94 VanDerWaalsContact C-N 3.34Å; L92-N94 PolarHBondContact O-N 2.9Å; N94-L97 PolarHBondContact O-N 2.97Å; N94-G98 PolarHBondContact O-N 2.86Å |
| 95 | H | 98.3 | Very high | 97.1 | Very high | 126 Ų | 126 | 103.8 Ų | 103.8 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.2 | -47 | 176.5 | -176.4 | 60.7 | 0 | 0 | 0 | 111.9 | L91 L92 L97 G98 V99 | L91-H95 PolarHBondContact O-N 3.05Å; L92-H95 PolarHBondContact O-N 2.98Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-L97 PolarHBondContact O-N 3.48Å; H95-G98 WeakPolarHBondContact O-CA 3.47Å; H95-G98 PolarHBondContact O-N 2.7Å; H95-V99 WeakPolarHBondContact O-CG2 3.35Å; H95-V99 PolarHBondContact O-N 3.49Å |
| 96 | L | 98.3 | Very high | 97.2 | Very high | 93 Ų | 93 | 102.8 Ų | 102.8 | 49% | 0.487 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 175.8 | -81.8 | 157.4 | 0 | 0 | 0 | 112.2 | L92 G93 G98 V99 L100 | L92-L96 HydrophobicContact CD1-CD1 4.16Å; L92-L96 HydrophobicContact CG-CD1 3.99Å; L92-L96 PolarHBondContact O-N 3.19Å; G93-L96 PolarHBondContact O-N 2.9Å; L96-G98 VanDerWaalsContact C-N 3.29Å; L96-G98 PolarHBondContact O-N 3.39Å; L96-V99 PolarHBondContact O-N 3.23Å; L96-L100 WeakPolarHBondContact O-CG 3.38Å; L96-L100 PolarHBondContact O-N 3.2Å |
| 97 | L | 98.3 | Very high | 97.2 | Very high | 114 Ų | 114 | 105.2 Ų | 105.2 | 60% | 0.597 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.6 | -39.3 | 174.2 | -79.3 | 165.9 | 0 | 0 | 0 | 112.1 | G93 N94 H95 R101 | G93-L97 WeakPolarHBondContact O-CB 3.47Å; G93-L97 WeakPolarHBondContact O-CG 3.38Å; G93-L97 PolarHBondContact O-N 3.01Å; N94-L97 PolarHBondContact O-N 2.97Å; H95-L97 VanDerWaalsContact C-N 3.34Å; H95-L97 PolarHBondContact O-N 3.48Å; L97-R101 WeakPolarHBondContact O-CB 3.49Å; L97-R101 PolarHBondContact O-N 3.45Å |
| 98 | G | 98.2 | Very high | 97 | Very high | 29 Ų | 29 | 104.7 Ų | 104.7 | 30% | 0.299 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.2 | -53 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | N94 H95 L96 L100 R101 E102 | N94-G98 PolarHBondContact O-N 2.86Å; H95-G98 WeakPolarHBondContact O-CA 3.47Å; H95-G98 PolarHBondContact O-N 2.7Å; L96-G98 VanDerWaalsContact C-N 3.29Å; L96-G98 PolarHBondContact O-N 3.39Å; G98-L100 VanDerWaalsContact C-N 3.33Å; G98-L100 PolarHBondContact O-N 2.92Å; G98-R101 WeakPolarHBondContact O-CB 3.42Å; G98-R101 PolarHBondContact O-N 3.47Å; G98-R101 VanDerWaalsContact O-N 3.08Å; G98-E102 PolarHBondContact O-N 2.98Å |
| 99 | V | 98.1 | Very high | 96.8 | Very high | 66 Ų | 66 | 106.4 Ų | 106.4 | 40% | 0.4 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.4 | -43.7 | 178.6 | 173.5 | 0 | 0 | 0 | 0 | 111.6 | H95 L96 R101 E102 H103 | H95-V99 WeakPolarHBondContact O-CG2 3.35Å; H95-V99 PolarHBondContact O-N 3.49Å; L96-V99 PolarHBondContact O-N 3.23Å; V99-R101 VanDerWaalsContact C-N 3.3Å; V99-R101 PolarHBondContact O-N 3.21Å; V99-E102 PolarHBondContact O-N 3.06Å; V99-H103 WeakPolarHBondContact O-CB 3.45Å; V99-H103 PolarHBondContact O-N 2.84Å |
| 100 | L | 98 | Very high | 96.3 | Very high | 113 Ų | 113 | 107.1 Ų | 107.1 | 59% | 0.592 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.2 | -37.1 | 177.5 | -72.5 | 174.6 | 0 | 0 | 0 | 112.4 | L96 G98 K104 | L96-L100 WeakPolarHBondContact O-CG 3.38Å; L96-L100 PolarHBondContact O-N 3.2Å; G98-L100 VanDerWaalsContact C-N 3.33Å; G98-L100 PolarHBondContact O-N 2.92Å; L100-K104 WeakPolarHBondContact O-CB 3.33Å; L100-K104 PolarHBondContact O-N 3.19Å |
| 101 | R | 98 | Very high | 95.6 | Very high | 191 Ų | 191 | 109.2 Ų | 109.2 | 72% | 0.721 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.1 | -47.4 | 175.9 | -173 | -177 | -67.5 | -172.7 | -1.1 | 110.9 | L97 G98 V99 H103 K104 V105 | L97-R101 WeakPolarHBondContact O-CB 3.49Å; L97-R101 PolarHBondContact O-N 3.45Å; G98-R101 WeakPolarHBondContact O-CB 3.42Å; G98-R101 PolarHBondContact O-N 3.47Å; G98-R101 VanDerWaalsContact O-N 3.08Å; V99-R101 VanDerWaalsContact C-N 3.3Å; V99-R101 PolarHBondContact O-N 3.21Å; R101-H103 VanDerWaalsContact C-N 3.34Å; R101-H103 PolarHBondContact O-N 3.3Å; R101-K104 WeakPolarHBondContact O-CB 3.5Å; R101-K104 PolarHBondContact O-N 3.42Å; R101-V105 WeakPolarHBondContact O-CG2 3.35Å; R101-V105 PolarHBondContact O-N 3.2Å |
| 102 | E | 97.3 | Very high | 94.9 | Very high | 139 Ų | 139 | 109.4 Ų | 109.4 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.6 | -45.1 | 176.4 | -71.7 | 176.7 | -169.3 | 0 | 0 | 111.6 | G98 V99 K104 V105 L106 | G98-E102 PolarHBondContact O-N 2.98Å; V99-E102 PolarHBondContact O-N 3.06Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.4Å; E102-V105 PolarHBondContact O-N 2.96Å; E102-L106 WeakPolarHBondContact O-CB 3.42Å; E102-L106 PolarHBondContact O-N 3.4Å |
| 103 | H | 97.1 | Very high | 93.7 | Very high | 96 Ų | 96 | 109.3 Ų | 109.3 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.9 | -40 | 176.3 | -172.5 | -89.3 | 0 | 0 | 0 | 112 | V99 R101 L106 R107 | V99-H103 WeakPolarHBondContact O-CB 3.45Å; V99-H103 PolarHBondContact O-N 2.84Å; R101-H103 VanDerWaalsContact C-N 3.34Å; R101-H103 PolarHBondContact O-N 3.3Å; H103-L106 PolarHBondContact O-N 3.33Å; H103-R107 PolarHBondContact CE1-NH2 3.08Å; H103-R107 PolarHBondContact ND1-NH2 2.87Å; H103-R107 WeakPolarHBondContact O-CB 3.33Å; H103-R107 PolarHBondContact O-N 3.27Å |
| 104 | K | 96.4 | Very high | 92.2 | Very high | 126 Ų | 126 | 116.3 Ų | 116.3 | 55% | 0.548 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -63.4 | -45.2 | 174.9 | -174.7 | 179.9 | 177.6 | -179.4 | 0 | 111.6 | L100 R101 E102 R107 Q108 | L100-K104 WeakPolarHBondContact O-CB 3.33Å; L100-K104 PolarHBondContact O-N 3.19Å; R101-K104 WeakPolarHBondContact O-CB 3.5Å; R101-K104 PolarHBondContact O-N 3.42Å; E102-K104 VanDerWaalsContact C-N 3.31Å; E102-K104 PolarHBondContact O-N 3.4Å; K104-R107 PolarHBondContact O-N 3.06Å; K104-Q108 WeakPolarHBondContact O-CG 3.48Å; K104-Q108 PolarHBondContact O-N 3.4Å |
| 105 | V | 96 | Very high | 90.4 | Very high | 71 Ų | 71 | 113.8 Ų | 113.8 | 43% | 0.43 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.7 | -46 | 177.1 | 171.1 | 0 | 0 | 0 | 0 | 110.7 | R101 E102 R107 Q108 R109 | R101-V105 WeakPolarHBondContact O-CG2 3.35Å; R101-V105 PolarHBondContact O-N 3.2Å; E102-V105 PolarHBondContact O-N 2.96Å; V105-R107 PolarHBondContact O-N 3.38Å; V105-Q108 PolarHBondContact O-N 2.8Å; V105-R109 WeakPolarHBondContact O-CG 3.43Å; V105-R109 PolarHBondContact O-N 2.91Å |
| 106 | L | 95 | Very high | 88.5 | Confident | 84 Ų | 84 | 119.3 Ų | 119.3 | 44% | 0.44 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.5 | -46.6 | 177.8 | -178.9 | 60.8 | 0 | 0 | 0 | 111.1 | E102 H103 Q108 R109 L110 | E102-L106 WeakPolarHBondContact O-CB 3.42Å; E102-L106 PolarHBondContact O-N 3.4Å; H103-L106 PolarHBondContact O-N 3.33Å; L106-Q108 VanDerWaalsContact C-N 3.32Å; L106-Q108 PolarHBondContact O-N 3.19Å; L106-R109 PolarHBondContact O-N 3.42Å; L106-L110 HydrophobicContact CD1-CD1 4.2Å; L106-L110 HydrophobicContact CD1-CG 4.21Å; L106-L110 HydrophobicContact CG-CD1 3.99Å; L106-L110 HydrophobicContact CG-CG 4.41Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3Å |
| 107 | R | 93.9 | Very high | 86.5 | Confident | 125 Ų | 125 | 120.1 Ų | 120.1 | 47% | 0.472 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -57.7 | -45.5 | 175.2 | -173.1 | -170.1 | -66.5 | 113.4 | -15.4 | 111.5 | H103 K104 V105 R109 L110 M111 | H103-R107 PolarHBondContact CE1-NH2 3.08Å; H103-R107 PolarHBondContact ND1-NH2 2.87Å; H103-R107 WeakPolarHBondContact O-CB 3.33Å; H103-R107 PolarHBondContact O-N 3.27Å; K104-R107 PolarHBondContact O-N 3.06Å; V105-R107 PolarHBondContact O-N 3.38Å; R107-R109 VanDerWaalsContact C-N 3.33Å; R107-R109 PolarHBondContact O-N 2.97Å; R107-L110 PolarHBondContact O-N 2.96Å; R107-M111 HydrophobicContact CG-CG 4.31Å; R107-M111 HydrophobicContact CG-SD 4.07Å; R107-M111 WeakPolarHBondContact O-CB 3.29Å; R107-M111 VanDerWaalsContact O-CG 3.3Å; R107-M111 WeakPolarHBondContact O-CG 3.28Å; R107-M111 PolarHBondContact O-N 3.47Å |
| 108 | Q | 92.1 | Very high | 84.7 | Confident | 115 Ų | 115 | 121 Ų | 121 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -60.7 | -42.7 | 177.6 | -76.2 | 176.7 | -21.6 | 0 | 0 | 111.9 | K104 V105 L106 M111 Q112 | K104-Q108 WeakPolarHBondContact O-CG 3.48Å; K104-Q108 PolarHBondContact O-N 3.4Å; V105-Q108 PolarHBondContact O-N 2.8Å; L106-Q108 VanDerWaalsContact C-N 3.32Å; L106-Q108 PolarHBondContact O-N 3.19Å; Q108-M111 PolarHBondContact O-N 3.49Å; Q108-Q112 PolarHBondContact O-N 2.98Å |
| 109 | R | 91.4 | Very high | 83.1 | Confident | 169 Ų | 169 | 126.7 Ų | 126.7 | 64% | 0.638 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.7 | -41.4 | 175.7 | -71.8 | 176.7 | 64.1 | -154.7 | -1.9 | 112.3 | V105 L106 R107 Q112 | V105-R109 WeakPolarHBondContact O-CG 3.43Å; V105-R109 PolarHBondContact O-N 2.91Å; L106-R109 PolarHBondContact O-N 3.42Å; R107-R109 VanDerWaalsContact C-N 3.33Å; R107-R109 PolarHBondContact O-N 2.97Å; R109-Q112 WeakPolarHBondContact O-CB 3.36Å; R109-Q112 PolarHBondContact O-N 3.41Å |
| 110 | L | 85.9 | Confident | 81.7 | Confident | 130 Ų | 130 | 129.6 Ų | 129.6 | 68% | 0.681 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71.7 | -32.5 | 178.3 | -69.3 | 174.6 | 0 | 0 | 0 | 112.6 | L106 R107 Q112 | L106-L110 HydrophobicContact CD1-CD1 4.2Å; L106-L110 HydrophobicContact CD1-CG 4.21Å; L106-L110 HydrophobicContact CG-CD1 3.99Å; L106-L110 HydrophobicContact CG-CG 4.41Å; L106-L110 WeakPolarHBondContact O-CB 3.42Å; L106-L110 WeakPolarHBondContact O-CG 3.39Å; L106-L110 PolarHBondContact O-N 3Å; R107-L110 PolarHBondContact O-N 2.96Å; L110-Q112 VanDerWaalsContact C-N 3.26Å |
| 111 | M | 83.5 | Confident | 80.5 | Confident | 148 Ų | 148 | 126.9 Ų | 126.9 | 73% | 0.729 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.3 | -15.4 | 173.3 | -73.5 | -174.1 | 71.9 | 0 | 0 | 112.9 | R107 Q108 P113 | R107-M111 HydrophobicContact CG-CG 4.31Å; R107-M111 HydrophobicContact CG-SD 4.07Å; R107-M111 WeakPolarHBondContact O-CB 3.29Å; R107-M111 VanDerWaalsContact O-CG 3.3Å; R107-M111 WeakPolarHBondContact O-CG 3.28Å; R107-M111 PolarHBondContact O-N 3.47Å; Q108-M111 PolarHBondContact O-N 3.49Å; M111-P113 WeakPolarHBondContact O-CD 3.22Å |
| 112 | Q | 82.1 | Confident | 79.7 | Confident | 133 Ų | 133 | 123.2 Ų | 123.2 | 62% | 0.621 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -71.8 | 118 | 176.3 | -168.8 | 172.3 | 4.1 | 0 | 0 | 108.8 | Q108 R109 L110 L114 | Q108-Q112 PolarHBondContact O-N 2.98Å; R109-Q112 WeakPolarHBondContact O-CB 3.36Å; R109-Q112 PolarHBondContact O-N 3.41Å; L110-Q112 VanDerWaalsContact C-N 3.26Å; Q112-L114 PolarHBondContact O-N 3.36Å |
| 113 | P | 73.1 | Confident | 78.9 | Confident | 93 Ų | 93 | 121.1 Ų | 121.1 | 60% | 0.604 | 63% | 0.625 | S | S | * | * | trans | -63.7 | 124.2 | -178 | 24.2 | -31.7 | 0 | 0 | 0 | 110.1 | M111 A115 | M111-P113 WeakPolarHBondContact O-CD 3.22Å; P113-A115 PolarHBondContact O-N 2.93Å | ||
| 114 | L | 68.4 | Low | 78.3 | Confident | 174 Ų | 174 | 123.4 Ų | 123.4 | 91% | 0.911 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -63.9 | -21.5 | -175.5 | -82.1 | 79.4 | 0 | 0 | 0 | 113.4 | Q112 | Q112-L114 PolarHBondContact O-N 3.36Š|
| 115 | A | 59.3 | Low | 77.8 | Confident | 54 Ų | 54 | 120.9 Ų | 120.9 | 45% | 0.446 | 63% | 0.627 | S | S | . | * | S | Bend | trans | -151.1 | 159 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106.7 | P113 T117 | P113-A115 PolarHBondContact O-N 2.93Å; A115-T117 HydrophobicContact CB-CG2 3.94Å; A115-T117 PolarHBondContact O-N 2.95Å |
| 116 | R | 58.5 | Low | 77.4 | Confident | 242 Ų | 242 | 123 Ų | 123 | 91% | 0.913 | 63% | 0.633 | S | S | * | * | trans | -66.9 | 67 | 166.4 | -68 | -177.7 | 174.6 | -169.6 | -1.1 | 109 | N118 | R116-N118 PolarHBondContact O-N 3.31Š| ||
| 117 | T | 56.1 | Low | 77.1 | Confident | 110 Ų | 110 | 122 Ų | 122 | 68% | 0.675 | 64% | 0.636 | S | S | * | * | trans | -73.6 | -15.1 | -178.9 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | A115 | A115-T117 HydrophobicContact CB-CG2 3.94Å; A115-T117 PolarHBondContact O-N 2.95Å | ||
| 118 | N | 60.1 | Low | 76.9 | Confident | 134 Ų | 134 | 119.2 Ų | 119.2 | 72% | 0.717 | 64% | 0.636 | S | S | * | * | trans | -108.6 | 98.1 | 174.4 | -58.1 | -41.3 | 0 | 0 | 0 | 107.7 | R116 P120 | R116-N118 PolarHBondContact O-N 3.31Å; N118-P120 WeakPolarHBondContact O-CD 3.42Å | ||
| 119 | L | 65.5 | Low | 76.8 | Confident | 148 Ų | 148 | 116.3 Ų | 116.3 | 78% | 0.775 | 63% | 0.626 | S | S | * | * | trans | -67.2 | 119.6 | 156.7 | -151.2 | 81.9 | 0 | 0 | 0 | 105.5 | V121 | L119-V121 PolarHBondContact O-N 3.43Š| ||
| 120 | P | 68 | Low | 76.8 | Confident | 126 Ų | 126 | 110.6 Ų | 110.6 | 82% | 0.818 | 61% | 0.61 | S | S | * | * | trans | -66.2 | 100.9 | 177.9 | 26.1 | -31.9 | 0 | 0 | 0 | 108.5 | N118 | N118-P120 WeakPolarHBondContact O-CD 3.42Š| ||
| 121 | V | 73.4 | Confident | 77.1 | Confident | 57 Ų | 57 | 108.5 Ų | 108.5 | 35% | 0.345 | 60% | 0.599 | S | S | . | * | trans | -88.8 | 127.6 | 172 | -178.7 | 0 | 0 | 0 | 0 | 107.3 | L119 A123 L125 V129 | L119-V121 PolarHBondContact O-N 3.43Å; V121-A123 PolarHBondContact O-N 2.87Å; V121-L125 HydrophobicContact CG1-CB 3.8Å; V121-V129 HydrophobicContact CG1-CG2 3.97Å | ||
| 122 | L | 80.4 | Confident | 77.6 | Confident | 113 Ų | 113 | 104.2 Ų | 104.2 | 59% | 0.592 | 58% | 0.584 | S | S | * | * | trans | -59.5 | 139.3 | 172.7 | -73.6 | 112.4 | 0 | 0 | 0 | 109.5 | H124 L125 H126 | L122-H124 PolarHBondContact O-N 3.06Å; L122-L125 HydrophobicContact CB-CD1 4.21Å; L122-L125 HydrophobicContact CD1-CD1 4.2Å; L122-L125 WeakPolarHBondContact O-CB 3.43Å; L122-L125 PolarHBondContact O-N 3.14Å; L122-H126 PolarHBondContact O-N 3.25Å | ||
| 123 | A | 80.1 | Confident | 78 | Confident | 95 Ų | 95 | 102 Ų | 102 | 79% | 0.785 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -52.9 | -36 | -172 | 0 | 0 | 0 | 0 | 0 | 114.1 | V121 L125 H126 | V121-A123 PolarHBondContact O-N 2.87Å; A123-L125 VanDerWaalsContact C-N 3.28Å; A123-L125 PolarHBondContact O-N 3.35Å; A123-H126 WeakPolarHBondContact O-CB 3.36Å; A123-H126 PolarHBondContact O-N 2.98Å |
| 124 | H | 85.7 | Confident | 79.1 | Confident | 145 Ų | 145 | 103.7 Ų | 103.7 | 67% | 0.671 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -70.6 | -21 | 178.9 | 70.2 | -88.3 | 0 | 0 | 0 | 113.9 | L122 | L122-H124 PolarHBondContact O-N 3.06Š|
| 125 | L | 85.9 | Confident | 80.4 | Confident | 72 Ų | 72 | 101.4 Ų | 101.4 | 38% | 0.377 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -90.3 | -11.6 | 177.7 | -79 | 155.2 | 0 | 0 | 0 | 112.6 | V121 L122 A123 A127 S128 V129 | V121-L125 HydrophobicContact CG1-CB 3.8Å; L122-L125 HydrophobicContact CB-CD1 4.21Å; L122-L125 HydrophobicContact CD1-CD1 4.2Å; L122-L125 WeakPolarHBondContact O-CB 3.43Å; L122-L125 PolarHBondContact O-N 3.14Å; A123-L125 VanDerWaalsContact C-N 3.28Å; A123-L125 PolarHBondContact O-N 3.35Å; L125-A127 PolarHBondContact O-N 3.03Å; L125-S128 PolarHBondContact O-N 3.47Å; L125-V129 WeakPolarHBondContact O-CG2 3.29Å; L125-V129 PolarHBondContact O-N 3.4Å |
| 126 | H | 86.1 | Confident | 82.1 | Confident | 116 Ų | 116 | 104 Ų | 104 | 54% | 0.537 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.4 | -43.8 | -174.8 | -169.9 | -90 | 0 | 0 | 0 | 112.5 | L122 A123 S128 V129 V130 | L122-H126 PolarHBondContact O-N 3.25Å; A123-H126 WeakPolarHBondContact O-CB 3.36Å; A123-H126 PolarHBondContact O-N 2.98Å; H126-S128 PolarHBondContact O-N 2.87Å; H126-V129 PolarHBondContact O-N 2.93Å; H126-V130 WeakPolarHBondContact O-CB 3.25Å; H126-V130 VanDerWaalsContact O-CG2 3.26Å; H126-V130 WeakPolarHBondContact O-CG2 3.48Å; H126-V130 PolarHBondContact O-N 2.85Å |
| 127 | A | 90.1 | Very high | 83.8 | Confident | 63 Ų | 63 | 98.4 Ų | 98.4 | 52% | 0.521 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.7 | -48.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L125 V129 V130 D131 | L125-A127 PolarHBondContact O-N 3.03Å; A127-V129 PolarHBondContact O-N 3.23Å; A127-V130 PolarHBondContact O-N 3.02Å; A127-D131 WeakPolarHBondContact O-CB 3.35Å; A127-D131 VanDerWaalsContact O-CG 3.22Å; A127-D131 PolarHBondContact O-N 3.39Å |
| 128 | S | 89.5 | Confident | 85.7 | Confident | 66 Ų | 66 | 97.1 Ų | 97.1 | 46% | 0.462 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63 | -39.9 | 178.9 | 178.2 | 0 | 0 | 0 | 0 | 112.9 | L125 H126 S132 | L125-S128 PolarHBondContact O-N 3.47Å; H126-S128 PolarHBondContact O-N 2.87Å; S128-S132 WeakPolarHBondContact O-CB 3.44Å; S128-S132 PolarHBondContact O-N 3.28Å; S128-S132 PolarHBondContact O-OG 2.9Å |
| 129 | V | 89.4 | Confident | 87.5 | Confident | 54 Ų | 54 | 97.2 Ų | 97.2 | 33% | 0.327 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.9 | -43.8 | 176.7 | 171.8 | 0 | 0 | 0 | 0 | 111 | V121 L125 H126 A127 S132 I133 | V121-V129 HydrophobicContact CG1-CG2 3.97Å; L125-V129 WeakPolarHBondContact O-CG2 3.29Å; L125-V129 PolarHBondContact O-N 3.4Å; H126-V129 PolarHBondContact O-N 2.93Å; A127-V129 PolarHBondContact O-N 3.23Å; V129-S132 PolarHBondContact O-N 3.46Å; V129-I133 HydrophobicContact CG1-CD1 3.85Å; V129-I133 HydrophobicContact CG1-CG1 4.48Å; V129-I133 VanDerWaalsContact O-CG1 3.29Å; V129-I133 WeakPolarHBondContact O-CG1 3.37Å; V129-I133 PolarHBondContact O-N 3.43Å |
| 130 | V | 90.8 | Very high | 89 | Confident | 50 Ų | 50 | 94.5 Ų | 94.5 | 30% | 0.303 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -44.7 | 176.6 | 169.1 | 0 | 0 | 0 | 0 | 111 | H126 A127 S132 I133 R134 | H126-V130 WeakPolarHBondContact O-CB 3.25Å; H126-V130 VanDerWaalsContact O-CG2 3.26Å; H126-V130 WeakPolarHBondContact O-CG2 3.48Å; H126-V130 PolarHBondContact O-N 2.85Å; A127-V130 PolarHBondContact O-N 3.02Å; V130-S132 VanDerWaalsContact C-N 3.32Å; V130-S132 PolarHBondContact O-N 2.84Å; V130-I133 PolarHBondContact O-N 3.27Å; V130-R134 PolarHBondContact O-N 3.42Å |
| 131 | D | 93.6 | Very high | 90.3 | Very high | 85 Ų | 85 | 94.8 Ų | 94.8 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 178.2 | -67.5 | -25.3 | 0 | 0 | 0 | 111.6 | A127 R134 L135 | A127-D131 WeakPolarHBondContact O-CB 3.35Å; A127-D131 VanDerWaalsContact O-CG 3.22Å; A127-D131 PolarHBondContact O-N 3.39Å; D131-R134 PolarHBondContact O-N 3.42Å; D131-R134 IonicContact OD1-CZ 3.8Å; D131-R134 IonicContact OD1-NH1 2.75Å; D131-R134 PolarHBondContact OD1-NH1 3.47Å; D131-L135 WeakPolarHBondContact O-CB 3.35Å; D131-L135 PolarHBondContact O-N 2.81Å |
| 132 | S | 92.5 | Very high | 91.5 | Very high | 59 Ų | 59 | 95 Ų | 95 | 41% | 0.413 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 175.4 | -58.3 | 0 | 0 | 0 | 0 | 112.2 | S128 V129 V130 L135 M136 | S128-S132 WeakPolarHBondContact O-CB 3.44Å; S128-S132 PolarHBondContact O-N 3.28Å; S128-S132 PolarHBondContact O-OG 2.9Å; V129-S132 PolarHBondContact O-N 3.46Å; V130-S132 VanDerWaalsContact C-N 3.32Å; V130-S132 PolarHBondContact O-N 2.84Å; S132-L135 PolarHBondContact O-N 3.43Å; S132-M136 WeakPolarHBondContact O-CG 3.48Å; S132-M136 PolarHBondContact O-N 3.24Å |
| 133 | I | 91.8 | Very high | 92.3 | Very high | 85 Ų | 85 | 93.8 Ų | 93.8 | 44% | 0.436 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.1 | -43 | 176.2 | -69.6 | 167.6 | 0 | 0 | 0 | 110.4 | V129 V130 L135 M136 M137 | V129-I133 HydrophobicContact CG1-CD1 3.85Å; V129-I133 HydrophobicContact CG1-CG1 4.48Å; V129-I133 VanDerWaalsContact O-CG1 3.29Å; V129-I133 WeakPolarHBondContact O-CG1 3.37Å; V129-I133 PolarHBondContact O-N 3.43Å; V130-I133 PolarHBondContact O-N 3.27Å; I133-L135 PolarHBondContact O-N 3.18Å; I133-M136 HydrophobicContact CG1-CE 4.04Å; I133-M136 PolarHBondContact O-N 3.35Å; I133-M137 HydrophobicContact CG2-SD 4.42Å; I133-M137 WeakPolarHBondContact O-CG 3.27Å; I133-M137 PolarHBondContact O-N 2.81Å |
| 134 | R | 95 | Very high | 93.1 | Very high | 130 Ų | 130 | 94.1 Ų | 94.1 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -58.7 | -48.6 | 175 | -170.4 | -177.7 | -60.4 | 115.9 | 4 | 110.9 | V130 D131 M136 M137 D138 | V130-R134 PolarHBondContact O-N 3.42Å; D131-R134 PolarHBondContact O-N 3.42Å; D131-R134 IonicContact OD1-CZ 3.8Å; D131-R134 IonicContact OD1-NH1 2.75Å; D131-R134 PolarHBondContact OD1-NH1 3.47Å; R134-M136 VanDerWaalsContact C-N 3.3Å; R134-M136 PolarHBondContact O-N 3.03Å; R134-M137 WeakPolarHBondContact O-CB 3.37Å; R134-M137 PolarHBondContact O-N 3.06Å; R134-M137 VanDerWaalsContact O-N 3.09Å; R134-D138 VanDerWaalsContact O-CG 3.26Å; R134-D138 PolarHBondContact O-N 3.35Å |
| 135 | L | 95.7 | Very high | 93.6 | Very high | 125 Ų | 125 | 92.9 Ų | 92.9 | 65% | 0.654 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.4 | -37.7 | 178.8 | -159.5 | 77.6 | 0 | 0 | 0 | 112.5 | D131 S132 I133 F139 | D131-L135 WeakPolarHBondContact O-CB 3.35Å; D131-L135 PolarHBondContact O-N 2.81Å; S132-L135 PolarHBondContact O-N 3.43Å; I133-L135 PolarHBondContact O-N 3.18Å; L135-F139 VanDerWaalsContact O-CB 3.28Å; L135-F139 WeakPolarHBondContact O-CB 3.36Å; L135-F139 PolarHBondContact O-N 2.8Å |
| 136 | M | 94.9 | Very high | 94.1 | Very high | 110 Ų | 110 | 95.9 Ų | 95.9 | 54% | 0.542 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 174 | -81 | -173.5 | -67.1 | 0 | 0 | 112.2 | S132 I133 R134 F139 I140 | S132-M136 WeakPolarHBondContact O-CG 3.48Å; S132-M136 PolarHBondContact O-N 3.24Å; I133-M136 HydrophobicContact CG1-CE 4.04Å; I133-M136 PolarHBondContact O-N 3.35Å; R134-M136 VanDerWaalsContact C-N 3.3Å; R134-M136 PolarHBondContact O-N 3.03Å; M136-F139 PolarHBondContact O-N 3.04Å; M136-I140 WeakPolarHBondContact O-CD1 3.48Å; M136-I140 VanDerWaalsContact O-CG1 3.23Å; M136-I140 WeakPolarHBondContact O-CG1 3.42Å; M136-I140 PolarHBondContact O-N 3.14Å |
| 137 | M | 94.8 | Very high | 94.6 | Very high | 124 Ų | 124 | 95.8 Ų | 95.8 | 61% | 0.611 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.8 | -47.4 | 176 | -71.3 | -179.8 | 60.9 | 0 | 0 | 111.4 | I133 R134 F139 I140 E141 | I133-M137 HydrophobicContact CG2-SD 4.42Å; I133-M137 WeakPolarHBondContact O-CG 3.27Å; I133-M137 PolarHBondContact O-N 2.81Å; R134-M137 WeakPolarHBondContact O-CB 3.37Å; R134-M137 PolarHBondContact O-N 3.06Å; R134-M137 VanDerWaalsContact O-N 3.09Å; M137-F139 VanDerWaalsContact C-N 3.27Å; M137-F139 PolarHBondContact O-N 3.44Å; M137-I140 PolarHBondContact O-N 3.42Å; M137-E141 PolarHBondContact O-N 3.21Å |
| 138 | D | 96.7 | Very high | 94.8 | Very high | 82 Ų | 82 | 99.7 Ų | 99.7 | 44% | 0.439 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -39.1 | 177.7 | -60.5 | -21 | 0 | 0 | 0 | 111.2 | R134 C142 | R134-D138 VanDerWaalsContact O-CG 3.26Å; R134-D138 PolarHBondContact O-N 3.35Å; D138-C142 WeakPolarHBondContact O-CB 3.4Å; D138-C142 PolarHBondContact O-N 3.13Å |
| 139 | F | 97.3 | Very high | 95.1 | Very high | 136 Ų | 136 | 100 Ų | 100 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65 | -44.8 | 175 | 175.7 | -100.2 | 0 | 0 | 0 | 112.2 | L135 M136 M137 C142 L143 | L135-F139 VanDerWaalsContact O-CB 3.28Å; L135-F139 WeakPolarHBondContact O-CB 3.36Å; L135-F139 PolarHBondContact O-N 2.8Å; M136-F139 PolarHBondContact O-N 3.04Å; M137-F139 VanDerWaalsContact C-N 3.27Å; M137-F139 PolarHBondContact O-N 3.44Å; F139-C142 PolarHBondContact O-N 3.2Å; F139-L143 HydrophobicContact CE1-CD1 3.8Å; F139-L143 HydrophobicContact CZ-CD1 3.76Å; F139-L143 VanDerWaalsContact O-CB 3.29Å; F139-L143 WeakPolarHBondContact O-CB 3.23Å; F139-L143 PolarHBondContact O-N 3.19Å |
| 140 | I | 96.7 | Very high | 95.3 | Very high | 91 Ų | 91 | 100.8 Ų | 100.8 | 47% | 0.467 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.2 | -47.9 | 177 | -71.8 | 160.5 | 0 | 0 | 0 | 110 | M136 M137 C142 L143 E144 | M136-I140 WeakPolarHBondContact O-CD1 3.48Å; M136-I140 VanDerWaalsContact O-CG1 3.23Å; M136-I140 WeakPolarHBondContact O-CG1 3.42Å; M136-I140 PolarHBondContact O-N 3.14Å; M137-I140 PolarHBondContact O-N 3.42Å; I140-C142 PolarHBondContact O-N 3.14Å; I140-L143 PolarHBondContact O-N 3.4Å; I140-E144 HydrophobicContact CG2-CG 4.44Å; I140-E144 WeakPolarHBondContact O-CG 3.41Å; I140-E144 PolarHBondContact O-N 3.37Å |
| 141 | E | 96.8 | Very high | 95.5 | Very high | 133 Ų | 133 | 103.8 Ų | 103.8 | 62% | 0.621 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.1 | -46.4 | 178.1 | -177.2 | 172.6 | -159.2 | 0 | 0 | 111.7 | M137 L143 E144 E145 | M137-E141 PolarHBondContact O-N 3.21Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.34Å; E141-E144 PolarHBondContact O-N 2.97Å; E141-E145 PolarHBondContact O-N 3.15Å |
| 142 | C | 97 | Very high | 95.5 | Very high | 61 Ų | 61 | 104.2 Ų | 104.2 | 41% | 0.412 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.6 | -41.9 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 112 | D138 F139 I140 E145 K146 | D138-C142 WeakPolarHBondContact O-CB 3.4Å; D138-C142 PolarHBondContact O-N 3.13Å; F139-C142 PolarHBondContact O-N 3.2Å; I140-C142 PolarHBondContact O-N 3.14Å; C142-E145 PolarHBondContact O-N 3.32Å; C142-K146 WeakPolarHBondContact O-CG 3.4Å; C142-K146 PolarHBondContact O-N 2.82Å |
| 143 | L | 97 | Very high | 95.3 | Very high | 87 Ų | 87 | 109.5 Ų | 109.5 | 46% | 0.455 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -44 | 179.2 | -172.3 | 148.6 | 0 | 0 | 0 | 111.2 | F139 I140 E141 E145 K146 L147 | F139-L143 HydrophobicContact CE1-CD1 3.8Å; F139-L143 HydrophobicContact CZ-CD1 3.76Å; F139-L143 VanDerWaalsContact O-CB 3.29Å; F139-L143 WeakPolarHBondContact O-CB 3.23Å; F139-L143 PolarHBondContact O-N 3.19Å; I140-L143 PolarHBondContact O-N 3.4Å; E141-L143 VanDerWaalsContact C-N 3.33Å; E141-L143 PolarHBondContact O-N 3.34Å; L143-E145 VanDerWaalsContact C-N 3.34Å; L143-E145 PolarHBondContact O-N 3.03Å; L143-K146 PolarHBondContact O-N 3.09Å; L143-L147 WeakPolarHBondContact O-CB 3.41Å; L143-L147 PolarHBondContact O-N 2.84Å |
| 144 | E | 97.3 | Very high | 95.3 | Very high | 103 Ų | 103 | 108.7 Ų | 108.7 | 48% | 0.481 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61 | -42.1 | 175.7 | -73.4 | -178.6 | 175.1 | 0 | 0 | 111.9 | I140 E141 L147 R148 | I140-E144 HydrophobicContact CG2-CG 4.44Å; I140-E144 WeakPolarHBondContact O-CG 3.41Å; I140-E144 PolarHBondContact O-N 3.37Å; E141-E144 PolarHBondContact O-N 2.97Å; E144-L147 PolarHBondContact O-N 2.84Å; E144-R148 WeakPolarHBondContact O-CB 3.42Å; E144-R148 PolarHBondContact O-N 3.44Å |
| 145 | E | 97.4 | Very high | 95.2 | Very high | 118 Ų | 118 | 105.5 Ų | 105.5 | 55% | 0.551 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.5 | -45.7 | 175.9 | -171.2 | -174.7 | -169.8 | 0 | 0 | 111.7 | E141 C142 L143 L147 R148 S149 | E141-E145 PolarHBondContact O-N 3.15Å; C142-E145 PolarHBondContact O-N 3.32Å; L143-E145 VanDerWaalsContact C-N 3.34Å; L143-E145 PolarHBondContact O-N 3.03Å; E145-L147 PolarHBondContact O-N 3.35Å; E145-R148 PolarHBondContact O-N 3.28Å; E145-S149 WeakPolarHBondContact O-CB 3.31Å; E145-S149 PolarHBondContact O-N 2.72Å |
| 146 | K | 95.6 | Very high | 95 | Very high | 136 Ų | 136 | 102.5 Ų | 102.5 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.9 | -42.3 | 176.7 | -68.9 | -61.1 | 179 | -168.7 | 0 | 111.6 | C142 L143 R148 S149 T150 | C142-K146 WeakPolarHBondContact O-CG 3.4Å; C142-K146 PolarHBondContact O-N 2.82Å; L143-K146 PolarHBondContact O-N 3.09Å; K146-R148 VanDerWaalsContact C-N 3.34Å; K146-R148 PolarHBondContact O-N 3.4Å; K146-S149 WeakPolarHBondContact O-CB 3.49Å; K146-S149 PolarHBondContact O-N 2.94Å; K146-T150 WeakPolarHBondContact O-CG2 3.48Å; K146-T150 PolarHBondContact O-N 2.94Å; K146-T150 PolarHBondContact O-OG1 2.95Å |
| 147 | L | 96 | Very high | 95 | Very high | 113 Ų | 113 | 100.6 Ų | 100.6 | 59% | 0.592 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.6 | -45 | 177.8 | -160.6 | 119 | 0 | 0 | 0 | 110.8 | L143 E144 E145 S149 T150 H151 | L143-L147 WeakPolarHBondContact O-CB 3.41Å; L143-L147 PolarHBondContact O-N 2.84Å; E144-L147 PolarHBondContact O-N 2.84Å; E145-L147 PolarHBondContact O-N 3.35Å; L147-S149 PolarHBondContact O-N 3.46Å; L147-T150 WeakPolarHBondContact CA-OG1 3.34Å; L147-T150 PolarHBondContact O-N 2.91Å; L147-T150 PolarHBondContact O-OG1 3.3Å; L147-H151 WeakPolarHBondContact O-CB 3.38Å; L147-H151 PolarHBondContact O-N 3.47Å |
| 148 | R | 96.3 | Very high | 94.9 | Very high | 145 Ų | 145 | 99.6 Ų | 99.6 | 55% | 0.547 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -43.8 | 175.1 | -165.5 | -177.6 | -57.7 | 130.6 | 5.3 | 112.1 | E144 E145 K146 H151 N152 | E144-R148 WeakPolarHBondContact O-CB 3.42Å; E144-R148 PolarHBondContact O-N 3.44Å; E145-R148 PolarHBondContact O-N 3.28Å; K146-R148 VanDerWaalsContact C-N 3.34Å; K146-R148 PolarHBondContact O-N 3.4Å; R148-H151 PolarHBondContact O-N 3.34Å; R148-N152 VanDerWaalsContact O-CG 3.27Å; R148-N152 PolarHBondContact O-N 2.92Å; R148-N152 PolarHBondContact O-ND2 3.31Å |
| 149 | S | 94.6 | Very high | 94.7 | Very high | 74 Ų | 74 | 98.4 Ų | 98.4 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 176 | -177.6 | 0 | 0 | 0 | 0 | 112.2 | E145 K146 L147 H151 N152 R153 | E145-S149 WeakPolarHBondContact O-CB 3.31Å; E145-S149 PolarHBondContact O-N 2.72Å; K146-S149 WeakPolarHBondContact O-CB 3.49Å; K146-S149 PolarHBondContact O-N 2.94Å; L147-S149 PolarHBondContact O-N 3.46Å; S149-H151 VanDerWaalsContact C-N 3.34Å; S149-H151 PolarHBondContact O-N 3.28Å; S149-N152 PolarHBondContact O-N 2.76Å; S149-R153 PolarHBondContact O-N 3.04Å; S149-R153 VanDerWaalsContact O-N 3.09Å |
| 150 | T | 94.8 | Very high | 94.6 | Very high | 70 Ų | 70 | 97 Ų | 97 | 43% | 0.429 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 112.1 | K146 L147 R153 T154 | K146-T150 WeakPolarHBondContact O-CG2 3.48Å; K146-T150 PolarHBondContact O-N 2.94Å; K146-T150 PolarHBondContact O-OG1 2.95Å; L147-T150 WeakPolarHBondContact CA-OG1 3.34Å; L147-T150 PolarHBondContact O-N 2.91Å; L147-T150 PolarHBondContact O-OG1 3.3Å; T150-R153 PolarHBondContact O-N 3.44Å; T150-T154 PolarHBondContact O-N 3.07Å; T150-T154 PolarHBondContact O-OG1 3.31Å |
| 151 | H | 94.7 | Very high | 94.6 | Very high | 113 Ų | 113 | 96.2 Ų | 96.2 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 178 | -174.4 | 63.8 | 0 | 0 | 0 | 112.2 | L147 R148 S149 R153 T154 T155 | L147-H151 WeakPolarHBondContact O-CB 3.38Å; L147-H151 PolarHBondContact O-N 3.47Å; R148-H151 PolarHBondContact O-N 3.34Å; S149-H151 VanDerWaalsContact C-N 3.34Å; S149-H151 PolarHBondContact O-N 3.28Å; H151-R153 VanDerWaalsContact C-N 3.25Å; H151-R153 PolarHBondContact O-N 3.03Å; H151-T154 WeakPolarHBondContact CA-OG1 3.35Å; H151-T154 PolarHBondContact O-N 3.36Å; H151-T154 PolarHBondContact O-OG1 3.45Å; H151-T155 WeakPolarHBondContact O-CG2 3.41Å; H151-T155 PolarHBondContact O-N 3.47Å; H151-T155 PolarHBondContact O-OG1 2.96Å |
| 152 | N | 92.6 | Very high | 94.6 | Very high | 94 Ų | 94 | 95.8 Ų | 95.8 | 50% | 0.503 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -32.2 | 175.7 | -69.1 | -14.8 | 0 | 0 | 0 | 112.6 | R148 S149 T155 S156 | R148-N152 VanDerWaalsContact O-CG 3.27Å; R148-N152 PolarHBondContact O-N 2.92Å; R148-N152 PolarHBondContact O-ND2 3.31Å; S149-N152 PolarHBondContact O-N 2.76Å; N152-T155 WeakPolarHBondContact CA-OG1 3.45Å; N152-T155 PolarHBondContact O-OG1 3.2Å; N152-S156 VanDerWaalsContact O-CB 3.31Å; N152-S156 WeakPolarHBondContact O-CB 3.49Å; N152-S156 PolarHBondContact O-N 3.16Å; N152-S156 VanDerWaalsContact O-N 3.09Å |
| 153 | R | 89.3 | Confident | 94.5 | Very high | 170 Ų | 170 | 98.1 Ų | 98.1 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -72.4 | -39.7 | 176.9 | -169.6 | 170.8 | 62.7 | 94 | 1.6 | 111.9 | S149 T150 H151 S156 T157 | S149-R153 PolarHBondContact O-N 3.04Å; S149-R153 VanDerWaalsContact O-N 3.09Å; T150-R153 PolarHBondContact O-N 3.44Å; H151-R153 VanDerWaalsContact C-N 3.25Å; H151-R153 PolarHBondContact O-N 3.03Å; R153-S156 PolarHBondContact O-N 3.35Å; R153-T157 PolarHBondContact O-N 3.4Å; R153-T157 PolarHBondContact O-OG1 2.93Å |
| 154 | T | 90.6 | Very high | 94.5 | Very high | 67 Ų | 67 | 98.5 Ų | 98.5 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -46.6 | 175.1 | 51.2 | 0 | 0 | 0 | 0 | 110.8 | T150 H151 S156 T157 D158 | T150-T154 PolarHBondContact O-N 3.07Å; T150-T154 PolarHBondContact O-OG1 3.31Å; H151-T154 WeakPolarHBondContact CA-OG1 3.35Å; H151-T154 PolarHBondContact O-N 3.36Å; H151-T154 PolarHBondContact O-OG1 3.45Å; T154-S156 VanDerWaalsContact C-N 3.32Å; T154-S156 PolarHBondContact O-N 2.95Å; T154-T157 WeakPolarHBondContact O-CB 3.36Å; T154-T157 PolarHBondContact O-N 2.97Å; T154-D158 VanDerWaalsContact O-CG 3.29Å; T154-D158 PolarHBondContact O-N 3.22Å |
| 155 | T | 92.8 | Very high | 94.5 | Very high | 64 Ų | 64 | 98.1 Ų | 98.1 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.2 | -36.5 | 178.7 | 55.2 | 0 | 0 | 0 | 0 | 113 | H151 N152 S159 | H151-T155 WeakPolarHBondContact O-CG2 3.41Å; H151-T155 PolarHBondContact O-N 3.47Å; H151-T155 PolarHBondContact O-OG1 2.96Å; N152-T155 WeakPolarHBondContact CA-OG1 3.45Å; N152-T155 PolarHBondContact O-OG1 3.2Å; T155-S159 PolarHBondContact O-N 3.01Å; T155-S159 PolarHBondContact O-OG 3.48Å |
| 156 | S | 92.2 | Very high | 94.4 | Very high | 61 Ų | 61 | 95.6 Ų | 95.6 | 43% | 0.427 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.3 | -36.8 | 172.5 | -173.9 | 0 | 0 | 0 | 0 | 112.7 | N152 R153 T154 S159 L160 | N152-S156 VanDerWaalsContact O-CB 3.31Å; N152-S156 WeakPolarHBondContact O-CB 3.49Å; N152-S156 PolarHBondContact O-N 3.16Å; N152-S156 VanDerWaalsContact O-N 3.09Å; R153-S156 PolarHBondContact O-N 3.35Å; T154-S156 VanDerWaalsContact C-N 3.32Å; T154-S156 PolarHBondContact O-N 2.95Å; S156-S159 PolarHBondContact O-OG 3.37Å; S156-L160 WeakPolarHBondContact O-CG 3.39Å; S156-L160 PolarHBondContact O-N 3.23Å; S156-L160 VanDerWaalsContact O-N 3.09Å |
| 157 | T | 94.1 | Very high | 94.5 | Very high | 71 Ų | 71 | 93.5 Ų | 93.5 | 44% | 0.436 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.1 | -44 | 176.2 | -51.8 | 0 | 0 | 0 | 0 | 110.5 | R153 T154 S159 L160 T161 | R153-T157 PolarHBondContact O-N 3.4Å; R153-T157 PolarHBondContact O-OG1 2.93Å; T154-T157 WeakPolarHBondContact O-CB 3.36Å; T154-T157 PolarHBondContact O-N 2.97Å; T157-S159 VanDerWaalsContact C-N 3.33Å; T157-S159 PolarHBondContact O-N 2.94Å; T157-L160 WeakPolarHBondContact O-CB 3.45Å; T157-L160 PolarHBondContact O-N 3Å; T157-T161 WeakPolarHBondContact O-CG2 3.29Å; T157-T161 PolarHBondContact O-N 3.39Å |
| 158 | D | 93.9 | Very high | 94.5 | Very high | 102 Ų | 102 | 91.2 Ų | 91.2 | 55% | 0.545 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -43.3 | 177.3 | -63.5 | -22.9 | 0 | 0 | 0 | 111.2 | T154 L160 T161 L162 | T154-D158 VanDerWaalsContact O-CG 3.29Å; T154-D158 PolarHBondContact O-N 3.22Å; D158-L160 PolarHBondContact O-N 3.2Å; D158-T161 PolarHBondContact O-N 3.12Å; D158-T161 PolarHBondContact O-OG1 2.84Å; D158-L162 PolarHBondContact O-N 3.2Å |
| 159 | S | 92.5 | Very high | 94.6 | Very high | 58 Ų | 58 | 88.4 Ų | 88.4 | 41% | 0.406 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 177.5 | 71 | 0 | 0 | 0 | 0 | 112.9 | T155 S156 T157 L162 L163 | T155-S159 PolarHBondContact O-N 3.01Å; T155-S159 PolarHBondContact O-OG 3.48Å; S156-S159 PolarHBondContact O-OG 3.37Å; T157-S159 VanDerWaalsContact C-N 3.33Å; T157-S159 PolarHBondContact O-N 2.94Å; S159-L162 PolarHBondContact O-N 2.88Å; S159-L163 WeakPolarHBondContact O-CG 3.38Å; S159-L163 PolarHBondContact O-N 3.43Å |
| 160 | L | 95.6 | Very high | 94.7 | Very high | 107 Ų | 107 | 90.4 Ų | 90.4 | 56% | 0.56 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | 172.4 | -78.8 | 170.7 | 0 | 0 | 0 | 112 | S156 T157 D158 L162 L163 D164 | S156-L160 WeakPolarHBondContact O-CG 3.39Å; S156-L160 PolarHBondContact O-N 3.23Å; S156-L160 VanDerWaalsContact O-N 3.09Å; T157-L160 WeakPolarHBondContact O-CB 3.45Å; T157-L160 PolarHBondContact O-N 3Å; D158-L160 PolarHBondContact O-N 3.2Å; L160-L162 VanDerWaalsContact C-N 3.3Å; L160-L162 PolarHBondContact O-N 2.85Å; L160-L163 PolarHBondContact O-N 2.88Å; L160-D164 PolarHBondContact O-N 3.49Å |
| 161 | T | 95.5 | Very high | 94.8 | Very high | 73 Ų | 73 | 92 Ų | 92 | 45% | 0.448 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.5 | -35.4 | 176.7 | 64.5 | 0 | 0 | 0 | 0 | 112.3 | T157 D158 D164 N165 | T157-T161 WeakPolarHBondContact O-CG2 3.29Å; T157-T161 PolarHBondContact O-N 3.39Å; D158-T161 PolarHBondContact O-N 3.12Å; D158-T161 PolarHBondContact O-OG1 2.84Å; T161-D164 PolarHBondContact O-N 3.1Å; T161-N165 WeakPolarHBondContact O-CB 3.43Å; T161-N165 VanDerWaalsContact O-CG 3.24Å; T161-N165 PolarHBondContact O-N 2.79Å; T161-N165 PolarHBondContact O-ND2 2.91Å; T161-N165 VanDerWaalsContact O-ND2 3.13Å |
| 162 | L | 96.3 | Very high | 94.9 | Very high | 124 Ų | 124 | 90.1 Ų | 90.1 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.3 | -43.8 | 174.3 | -178 | 66.2 | 0 | 0 | 0 | 111.5 | D158 S159 L160 N165 S166 | D158-L162 PolarHBondContact O-N 3.2Å; S159-L162 PolarHBondContact O-N 2.88Å; L160-L162 VanDerWaalsContact C-N 3.3Å; L160-L162 PolarHBondContact O-N 2.85Å; L162-N165 PolarHBondContact O-N 3.01Å; L162-S166 PolarHBondContact O-N 3.18Å |
| 163 | L | 96.3 | Very high | 95.1 | Very high | 110 Ų | 110 | 91 Ų | 91 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.2 | -44.4 | 176.6 | -75.4 | 173.8 | 0 | 0 | 0 | 111.7 | S159 L160 N165 S166 L167 | S159-L163 WeakPolarHBondContact O-CG 3.38Å; S159-L163 PolarHBondContact O-N 3.43Å; L160-L163 PolarHBondContact O-N 2.88Å; L163-N165 PolarHBondContact O-N 2.73Å; L163-S166 PolarHBondContact O-N 3.5Å; L163-S166 VanDerWaalsContact O-N 3.17Å; L163-S166 PolarHBondContact O-OG 3.09Å; L163-L167 PolarHBondContact O-N 2.77Å |
| 164 | D | 96.6 | Very high | 95.4 | Very high | 96 Ų | 96 | 85.3 Ų | 85.3 | 51% | 0.513 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.9 | -47.4 | 177.4 | -168.3 | 54.5 | 0 | 0 | 0 | 111.3 | L160 T161 S166 L167 T168 | L160-D164 PolarHBondContact O-N 3.49Å; T161-D164 PolarHBondContact O-N 3.1Å; D164-S166 VanDerWaalsContact C-N 3.32Å; D164-S166 PolarHBondContact O-N 3.33Å; D164-L167 WeakPolarHBondContact O-CB 3.27Å; D164-L167 PolarHBondContact O-N 3.47Å; D164-L167 VanDerWaalsContact O-N 3.12Å; D164-T168 WeakPolarHBondContact O-CG2 3.42Å; D164-T168 PolarHBondContact O-N 2.97Å |
| 165 | N | 96.4 | Very high | 95.7 | Very high | 94 Ų | 94 | 84.6 Ų | 84.6 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 173.8 | -71.5 | -31.1 | 0 | 0 | 0 | 111.8 | T161 L162 L163 L167 T168 V169 | T161-N165 WeakPolarHBondContact O-CB 3.43Å; T161-N165 VanDerWaalsContact O-CG 3.24Å; T161-N165 PolarHBondContact O-N 2.79Å; T161-N165 PolarHBondContact O-ND2 2.91Å; T161-N165 VanDerWaalsContact O-ND2 3.13Å; L162-N165 PolarHBondContact O-N 3.01Å; L163-N165 PolarHBondContact O-N 2.73Å; N165-L167 VanDerWaalsContact C-N 3.31Å; N165-L167 PolarHBondContact O-N 2.99Å; N165-T168 PolarHBondContact O-N 2.69Å; N165-T168 PolarHBondContact O-OG1 2.92Å; N165-V169 WeakPolarHBondContact O-CG2 3.49Å; N165-V169 PolarHBondContact O-N 3.38Å; N165-V169 VanDerWaalsContact O-N 3.11Å |
| 166 | S | 96.7 | Very high | 95.9 | Very high | 66 Ų | 66 | 86.2 Ų | 86.2 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -36.3 | 177.7 | 77 | 0 | 0 | 0 | 0 | 113 | L162 L163 D164 V169 L170 | L162-S166 PolarHBondContact O-N 3.18Å; L163-S166 PolarHBondContact O-N 3.5Å; L163-S166 VanDerWaalsContact O-N 3.17Å; L163-S166 PolarHBondContact O-OG 3.09Å; D164-S166 VanDerWaalsContact C-N 3.32Å; D164-S166 PolarHBondContact O-N 3.33Å; S166-V169 PolarHBondContact O-N 2.98Å; S166-L170 WeakPolarHBondContact O-CB 3.42Å; S166-L170 PolarHBondContact O-N 3.1Å |
| 167 | L | 96.9 | Very high | 96 | Very high | 91 Ų | 91 | 87 Ų | 87 | 48% | 0.476 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 176.3 | 177.6 | 62.7 | 0 | 0 | 0 | 110.8 | L163 D164 N165 V169 L170 L171 | L163-L167 PolarHBondContact O-N 2.77Å; D164-L167 WeakPolarHBondContact O-CB 3.27Å; D164-L167 PolarHBondContact O-N 3.47Å; D164-L167 VanDerWaalsContact O-N 3.12Å; N165-L167 VanDerWaalsContact C-N 3.31Å; N165-L167 PolarHBondContact O-N 2.99Å; L167-V169 VanDerWaalsContact C-N 3.32Å; L167-V169 PolarHBondContact O-N 3.14Å; L167-L170 PolarHBondContact O-N 3.34Å; L167-L171 HydrophobicContact CD1-CD1 4.39Å; L167-L171 HydrophobicContact CD1-CG 4.3Å; L167-L171 HydrophobicContact CG-CD1 4.15Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 2.88Å |
| 168 | T | 96.9 | Very high | 96 | Very high | 66 Ų | 66 | 89.3 Ų | 89.3 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 176.1 | 64.4 | 0 | 0 | 0 | 0 | 111.5 | D164 N165 L170 L171 T172 | D164-T168 WeakPolarHBondContact O-CG2 3.42Å; D164-T168 PolarHBondContact O-N 2.97Å; N165-T168 PolarHBondContact O-N 2.69Å; N165-T168 PolarHBondContact O-OG1 2.92Å; T168-L170 PolarHBondContact O-N 3.49Å; T168-L171 PolarHBondContact O-N 3.48Å; T168-T172 WeakPolarHBondContact O-CG2 3.46Å; T168-T172 PolarHBondContact O-N 3.37Å; T168-T172 PolarHBondContact O-OG1 3.26Å |
| 169 | V | 97.3 | Very high | 96.1 | Very high | 86 Ų | 86 | 90 Ų | 90 | 52% | 0.521 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.1 | -46.8 | 174.9 | 173.3 | 0 | 0 | 0 | 0 | 110.8 | N165 S166 L167 L171 T172 M173 | N165-V169 WeakPolarHBondContact O-CG2 3.49Å; N165-V169 PolarHBondContact O-N 3.38Å; N165-V169 VanDerWaalsContact O-N 3.11Å; S166-V169 PolarHBondContact O-N 2.98Å; L167-V169 VanDerWaalsContact C-N 3.32Å; L167-V169 PolarHBondContact O-N 3.14Å; V169-L171 VanDerWaalsContact C-N 3.33Å; V169-L171 PolarHBondContact O-N 3.34Å; V169-T172 WeakPolarHBondContact CA-OG1 3.32Å; V169-T172 PolarHBondContact O-N 2.82Å; V169-T172 PolarHBondContact O-OG1 2.93Å; V169-M173 HydrophobicContact CG1-CG 4.42Å; V169-M173 WeakPolarHBondContact O-CG 3.48Å; V169-M173 PolarHBondContact O-N 2.94Å |
| 170 | L | 97 | Very high | 96.3 | Very high | 115 Ų | 115 | 92.3 Ų | 92.3 | 60% | 0.602 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.7 | -40.2 | 179.8 | -163.8 | 149 | 0 | 0 | 0 | 112 | S166 L167 T168 M173 A174 | S166-L170 WeakPolarHBondContact O-CB 3.42Å; S166-L170 PolarHBondContact O-N 3.1Å; L167-L170 PolarHBondContact O-N 3.34Å; T168-L170 PolarHBondContact O-N 3.49Å; L170-M173 PolarHBondContact O-N 3.25Å; L170-A174 WeakPolarHBondContact O-CB 3.35Å; L170-A174 PolarHBondContact O-N 2.98Å |
| 171 | L | 97.1 | Very high | 96.2 | Very high | 105 Ų | 105 | 93.6 Ų | 93.6 | 55% | 0.55 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -41.9 | 174.7 | -71.8 | 171.9 | 0 | 0 | 0 | 112 | L167 T168 V169 A174 S175 | L167-L171 HydrophobicContact CD1-CD1 4.39Å; L167-L171 HydrophobicContact CD1-CG 4.3Å; L167-L171 HydrophobicContact CG-CD1 4.15Å; L167-L171 HydrophobicContact CG-CG 4.49Å; L167-L171 WeakPolarHBondContact O-CG 3.33Å; L167-L171 PolarHBondContact O-N 2.88Å; T168-L171 PolarHBondContact O-N 3.48Å; V169-L171 VanDerWaalsContact C-N 3.33Å; V169-L171 PolarHBondContact O-N 3.34Å; L171-A174 PolarHBondContact O-N 2.93Å; L171-S175 PolarHBondContact O-N 3.08Å |
| 172 | T | 96.6 | Very high | 96.1 | Very high | 72 Ų | 72 | 94.3 Ų | 94.3 | 44% | 0.442 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -47.7 | 175.3 | 57.3 | 0 | 0 | 0 | 0 | 111.5 | T168 V169 A174 S175 E176 | T168-T172 WeakPolarHBondContact O-CG2 3.46Å; T168-T172 PolarHBondContact O-N 3.37Å; T168-T172 PolarHBondContact O-OG1 3.26Å; V169-T172 WeakPolarHBondContact CA-OG1 3.32Å; V169-T172 PolarHBondContact O-N 2.82Å; V169-T172 PolarHBondContact O-OG1 2.93Å; T172-A174 VanDerWaalsContact C-N 3.3Å; T172-A174 PolarHBondContact O-N 3.16Å; T172-S175 PolarHBondContact O-N 3.04Å; T172-S175 VanDerWaalsContact O-N 3.13Å; T172-S175 PolarHBondContact O-OG 3.17Å; T172-E176 WeakPolarHBondContact O-CG 3.5Å; T172-E176 PolarHBondContact O-N 3.05Å |
| 173 | M | 96.3 | Very high | 95.9 | Very high | 112 Ų | 112 | 96.3 Ų | 96.3 | 55% | 0.552 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -38.7 | 175.7 | -70.2 | -63.7 | -57.4 | 0 | 0 | 112.6 | V169 L170 E176 S177 | V169-M173 HydrophobicContact CG1-CG 4.42Å; V169-M173 WeakPolarHBondContact O-CG 3.48Å; V169-M173 PolarHBondContact O-N 2.94Å; L170-M173 PolarHBondContact O-N 3.25Å; M173-E176 PolarHBondContact O-N 3.23Å; M173-S177 WeakPolarHBondContact O-CB 3.47Å; M173-S177 PolarHBondContact O-N 3.37Å |
| 174 | A | 96.5 | Very high | 95.8 | Very high | 51 Ų | 51 | 95.4 Ų | 95.4 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -43.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | L170 L171 T172 S177 E178 | L170-A174 WeakPolarHBondContact O-CB 3.35Å; L170-A174 PolarHBondContact O-N 2.98Å; L171-A174 PolarHBondContact O-N 2.93Å; T172-A174 VanDerWaalsContact C-N 3.3Å; T172-A174 PolarHBondContact O-N 3.16Å; A174-S177 PolarHBondContact O-N 3.29Å; A174-E178 WeakPolarHBondContact O-CB 3.48Å; A174-E178 PolarHBondContact O-N 3.26Å |
| 175 | S | 96.1 | Very high | 95.4 | Very high | 53 Ų | 53 | 96.5 Ų | 96.5 | 37% | 0.371 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 176.4 | 75.7 | 0 | 0 | 0 | 0 | 112.5 | L171 T172 E178 M179 | L171-S175 PolarHBondContact O-N 3.08Å; T172-S175 PolarHBondContact O-N 3.04Å; T172-S175 VanDerWaalsContact O-N 3.13Å; T172-S175 PolarHBondContact O-OG 3.17Å; S175-E178 PolarHBondContact O-N 2.75Å; S175-M179 WeakPolarHBondContact O-CB 3.25Å; S175-M179 WeakPolarHBondContact O-CG 3.42Å; S175-M179 PolarHBondContact O-N 3.03Å |
| 176 | E | 96.2 | Very high | 95.1 | Very high | 97 Ų | 97 | 97.5 Ų | 97.5 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 174.3 | -72.3 | -179.2 | -178.1 | 0 | 0 | 111.5 | T172 M173 E178 M179 L180 | T172-E176 WeakPolarHBondContact O-CG 3.5Å; T172-E176 PolarHBondContact O-N 3.05Å; M173-E176 PolarHBondContact O-N 3.23Å; E176-E178 VanDerWaalsContact C-N 3.32Å; E176-E178 PolarHBondContact O-N 3.21Å; E176-M179 HydrophobicContact CG-CE 4.22Å; E176-M179 PolarHBondContact O-N 3.03Å; E176-L180 WeakPolarHBondContact O-CB 3.23Å; E176-L180 VanDerWaalsContact O-CG 3.29Å; E176-L180 WeakPolarHBondContact O-CG 3.4Å; E176-L180 PolarHBondContact O-N 2.93Å |
| 177 | S | 94.8 | Very high | 94.6 | Very high | 77 Ų | 77 | 102.6 Ų | 102.6 | 54% | 0.538 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 174.8 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | M173 A174 L180 F181 | M173-S177 WeakPolarHBondContact O-CB 3.47Å; M173-S177 PolarHBondContact O-N 3.37Å; A174-S177 PolarHBondContact O-N 3.29Å; S177-L180 PolarHBondContact O-N 3.27Å; S177-F181 WeakPolarHBondContact O-CB 3.11Å; S177-F181 PolarHBondContact O-N 3.47Å |
| 178 | E | 95.4 | Very high | 94.1 | Very high | 120 Ų | 120 | 107.1 Ų | 107.1 | 56% | 0.561 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64 | -44.2 | 175.6 | -172.6 | 173.2 | -171.7 | 0 | 0 | 111.7 | A174 S175 E176 L180 F181 Q182 | A174-E178 WeakPolarHBondContact O-CB 3.48Å; A174-E178 PolarHBondContact O-N 3.26Å; S175-E178 PolarHBondContact O-N 2.75Å; E176-E178 VanDerWaalsContact C-N 3.32Å; E176-E178 PolarHBondContact O-N 3.21Å; E178-L180 PolarHBondContact O-N 3.35Å; E178-F181 WeakPolarHBondContact O-CB 3.4Å; E178-F181 PolarHBondContact O-N 3.19Å; E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.32Å; E178-Q182 PolarHBondContact O-N 3.35Å |
| 179 | M | 95.5 | Very high | 93.2 | Very high | 117 Ų | 117 | 107 Ų | 107 | 58% | 0.576 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 174.7 | -75.8 | -165.6 | -67.3 | 0 | 0 | 112.2 | S175 E176 F181 Q182 R183 | S175-M179 WeakPolarHBondContact O-CB 3.25Å; S175-M179 WeakPolarHBondContact O-CG 3.42Å; S175-M179 PolarHBondContact O-N 3.03Å; E176-M179 HydrophobicContact CG-CE 4.22Å; E176-M179 PolarHBondContact O-N 3.03Å; M179-F181 VanDerWaalsContact C-N 3.34Å; M179-Q182 PolarHBondContact O-N 2.96Å; M179-R183 WeakPolarHBondContact O-CB 3.2Å; M179-R183 PolarHBondContact O-N 2.91Å |
| 180 | L | 95.4 | Very high | 92.2 | Very high | 106 Ų | 106 | 108.4 Ų | 108.4 | 56% | 0.555 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.4 | -42.6 | 175.9 | -72.4 | 174.9 | 0 | 0 | 0 | 111.1 | E176 S177 E178 R183 I184 | E176-L180 WeakPolarHBondContact O-CB 3.23Å; E176-L180 VanDerWaalsContact O-CG 3.29Å; E176-L180 WeakPolarHBondContact O-CG 3.4Å; E176-L180 PolarHBondContact O-N 2.93Å; S177-L180 PolarHBondContact O-N 3.27Å; E178-L180 PolarHBondContact O-N 3.35Å; L180-R183 PolarHBondContact O-N 2.99Å; L180-I184 VanDerWaalsContact O-CG1 3.31Å; L180-I184 WeakPolarHBondContact O-CG1 3.49Å; L180-I184 PolarHBondContact O-N 2.95Å |
| 181 | F | 94.3 | Very high | 90.7 | Very high | 134 Ų | 134 | 107.1 Ų | 107.1 | 59% | 0.588 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.7 | -47.9 | 176.3 | -178.3 | -97 | 0 | 0 | 0 | 111.7 | S177 E178 M179 R183 I184 Q185 | S177-F181 WeakPolarHBondContact O-CB 3.11Å; S177-F181 PolarHBondContact O-N 3.47Å; E178-F181 WeakPolarHBondContact O-CB 3.4Å; E178-F181 PolarHBondContact O-N 3.19Å; M179-F181 VanDerWaalsContact C-N 3.34Å; F181-R183 VanDerWaalsContact C-N 3.31Å; F181-R183 PolarHBondContact O-N 3.32Å; F181-I184 PolarHBondContact O-N 3.27Å; F181-Q185 PolarHBondContact O-N 3.31Å |
| 182 | Q | 94.2 | Very high | 88.7 | Confident | 89 Ų | 89 | 107.4 Ų | 107.4 | 42% | 0.416 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.8 | -42.5 | 175.6 | -71.4 | 176.8 | 13.1 | 0 | 0 | 111.5 | E178 M179 Q185 Q186 | E178-Q182 VanDerWaalsContact O-CG 3.32Å; E178-Q182 WeakPolarHBondContact O-CG 3.32Å; E178-Q182 PolarHBondContact O-N 3.35Å; M179-Q182 PolarHBondContact O-N 2.96Å; Q182-Q185 PolarHBondContact O-N 3.32Å; Q182-Q186 WeakPolarHBondContact O-CG 3.41Å; Q182-Q186 PolarHBondContact O-N 2.96Å |
| 183 | R | 92.3 | Very high | 86.5 | Confident | 166 Ų | 166 | 114.3 Ų | 114.3 | 63% | 0.626 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.5 | -40.9 | 177.5 | -167.5 | 173.5 | -171.5 | 166.3 | 1.9 | 112.6 | M179 L180 F181 Q185 Q186 W187 | M179-R183 WeakPolarHBondContact O-CB 3.2Å; M179-R183 PolarHBondContact O-N 2.91Å; L180-R183 PolarHBondContact O-N 2.99Å; F181-R183 VanDerWaalsContact C-N 3.31Å; F181-R183 PolarHBondContact O-N 3.32Å; R183-Q185 VanDerWaalsContact C-N 3.33Å; R183-Q186 PolarHBondContact O-N 3.35Å; R183-W187 PolarHBondContact O-N 3.35Å |
| 184 | I | 93.4 | Very high | 84.1 | Confident | 91 Ų | 91 | 120 Ų | 120 | 47% | 0.467 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62.4 | -43.1 | 174.2 | -69.6 | 165.9 | 0 | 0 | 0 | 110.3 | L180 F181 W187 R188 | L180-I184 VanDerWaalsContact O-CG1 3.31Å; L180-I184 WeakPolarHBondContact O-CG1 3.49Å; L180-I184 PolarHBondContact O-N 2.95Å; F181-I184 PolarHBondContact O-N 3.27Å; I184-W187 PolarHBondContact O-N 2.91Å; I184-R188 WeakPolarHBondContact O-CG 3.24Å; I184-R188 PolarHBondContact O-N 2.88Å |
| 185 | Q | 87.5 | Confident | 81.7 | Confident | 118 Ų | 118 | 122.7 Ų | 122.7 | 55% | 0.551 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.7 | -43.2 | 178.2 | -171.2 | 179.1 | -4.7 | 0 | 0 | 111.7 | F181 Q182 R183 R188 S189 | F181-Q185 PolarHBondContact O-N 3.31Å; Q182-Q185 PolarHBondContact O-N 3.32Å; R183-Q185 VanDerWaalsContact C-N 3.33Å; Q185-R188 PolarHBondContact O-N 3.2Å; Q185-S189 PolarHBondContact O-N 2.77Å; Q185-S189 PolarHBondContact O-OG 3.2Å |
| 186 | Q | 90.6 | Very high | 78.9 | Confident | 116 Ų | 116 | 128.8 Ų | 128.8 | 54% | 0.542 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -58.5 | -49.5 | 173.1 | -72.4 | 173.2 | 3.3 | 0 | 0 | 111.1 | Q182 R183 R188 S189 I190 | Q182-Q186 WeakPolarHBondContact O-CG 3.41Å; Q182-Q186 PolarHBondContact O-N 2.96Å; R183-Q186 PolarHBondContact O-N 3.35Å; Q186-R188 VanDerWaalsContact C-N 3.33Å; Q186-R188 PolarHBondContact O-N 3.02Å; Q186-S189 WeakPolarHBondContact CA-OG 3.35Å; Q186-S189 PolarHBondContact O-N 2.67Å; Q186-S189 VanDerWaalsContact O-N 3.11Å; Q186-S189 PolarHBondContact O-OG 3.05Å; Q186-I190 VanDerWaalsContact O-CG1 3.32Å; Q186-I190 WeakPolarHBondContact O-CG1 3.44Å; Q186-I190 PolarHBondContact O-N 2.99Å |
| 187 | W | 87.1 | Confident | 76.2 | Confident | 173 Ų | 173 | 128.7 Ų | 128.7 | 66% | 0.655 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -55.8 | -43.5 | 175.6 | -99.1 | 88.5 | 0 | 0 | 0 | 113.1 | R183 I184 I190 S191 | R183-W187 PolarHBondContact O-N 3.35Å; I184-W187 PolarHBondContact O-N 2.91Å; W187-I190 PolarHBondContact O-N 3.29Å; W187-S191 WeakPolarHBondContact O-CB 3.35Å; W187-S191 PolarHBondContact O-N 2.84Å; W187-S191 PolarHBondContact O-OG 2.97Å |
| 188 | R | 84.6 | Confident | 73.5 | Confident | 186 Ų | 186 | 130.5 Ų | 130.5 | 70% | 0.702 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -64.8 | -40.7 | 175.6 | -73.6 | -177.1 | -177.3 | -175.7 | 2.2 | 112.2 | I184 Q185 Q186 S191 C192 | I184-R188 WeakPolarHBondContact O-CG 3.24Å; I184-R188 PolarHBondContact O-N 2.88Å; Q185-R188 PolarHBondContact O-N 3.2Å; Q186-R188 VanDerWaalsContact C-N 3.33Å; Q186-R188 PolarHBondContact O-N 3.02Å; R188-S191 PolarHBondContact O-N 3.06Å; R188-C192 VanDerWaalsContact O-CB 3.24Å; R188-C192 WeakPolarHBondContact O-CB 3.43Å; R188-C192 PolarHBondContact O-N 3.34Å |
| 189 | S | 79.2 | Confident | 70.8 | Confident | 62 Ų | 62 | 134.5 Ų | 134.5 | 43% | 0.434 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -66.1 | -36.5 | 178.4 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | Q185 Q186 R193 | Q185-S189 PolarHBondContact O-N 2.77Å; Q185-S189 PolarHBondContact O-OG 3.2Å; Q186-S189 WeakPolarHBondContact CA-OG 3.35Å; Q186-S189 PolarHBondContact O-N 2.67Å; Q186-S189 VanDerWaalsContact O-N 3.11Å; Q186-S189 PolarHBondContact O-OG 3.05Å; S189-R193 PolarHBondContact O-N 3.41Å |
| 190 | I | 77 | Confident | 68.2 | Low | 117 Ų | 117 | 132.9 Ų | 132.9 | 60% | 0.6 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.5 | -41.5 | 175.1 | -63.4 | 162.3 | 0 | 0 | 0 | 110.2 | Q186 W187 C192 R193 | Q186-I190 VanDerWaalsContact O-CG1 3.32Å; Q186-I190 WeakPolarHBondContact O-CG1 3.44Å; Q186-I190 PolarHBondContact O-N 2.99Å; W187-I190 PolarHBondContact O-N 3.29Å; I190-C192 VanDerWaalsContact C-N 3.3Å; I190-C192 PolarHBondContact O-N 3.46Å; I190-R193 PolarHBondContact O-N 2.8Å |
| 191 | S | 64.6 | Low | 65.6 | Low | 87 Ų | 87 | 136.4 Ų | 136.4 | 61% | 0.608 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -70.7 | -23.8 | 178.1 | -54.1 | 0 | 0 | 0 | 0 | 113.4 | W187 R188 | W187-S191 WeakPolarHBondContact O-CB 3.35Å; W187-S191 PolarHBondContact O-N 2.84Å; W187-S191 PolarHBondContact O-OG 2.97Å; R188-S191 PolarHBondContact O-N 3.06Å |
| 192 | C | 54.8 | Low | 63 | Low | 111 Ų | 111 | 137 Ų | 137 | 75% | 0.75 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -90.1 | -17.8 | 175.9 | -157.2 | 0 | 0 | 0 | 0 | 112.6 | R188 I190 R194 | R188-C192 VanDerWaalsContact O-CB 3.24Å; R188-C192 WeakPolarHBondContact O-CB 3.43Å; R188-C192 PolarHBondContact O-N 3.34Å; I190-C192 VanDerWaalsContact C-N 3.3Å; I190-C192 PolarHBondContact O-N 3.46Å; C192-R194 PolarHBondContact O-N 3.38Å |
| 193 | R | 50.3 | Low | 60.4 | Low | 217 Ų | 217 | 136.1 Ų | 136.1 | 82% | 0.819 | 71% | 0.708 | S | S | * | * | trans | -84.3 | 74.9 | 165.4 | -78.9 | -172.4 | -174.2 | -176.9 | 2.9 | 110.5 | S189 I190 | S189-R193 PolarHBondContact O-N 3.41Å; I190-R193 PolarHBondContact O-N 2.8Å | ||
| 194 | R | 46.7 | Very low | 57.9 | Low | 231 Ų | 231 | 134.6 Ų | 134.6 | 87% | 0.872 | 72% | 0.723 | S | S | * | * | trans | -107.8 | 109.4 | 144.4 | -179.9 | -179.7 | -94 | 177 | -7 | 106.5 | C192 | C192-R194 PolarHBondContact O-N 3.38Š| ||
| 195 | P | 45.2 | Very low | 55.6 | Low | 108 Ų | 108 | 138.4 Ų | 138.4 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | -142.8 | 139.8 | 116.2 | 26.5 | -6.9 | 0 | 0 | 0 | 114.9 | |||||
| 196 | E | 38.8 | Very low | 53.7 | Low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 75% | 0.75 | S | S | * | * | trans | 43.2 | 122.3 | 131.2 | -59.3 | -88.9 | 135.9 | 0 | 0 | 121.5 | ||||
| 197 | A | 39.1 | Very low | 51.4 | Low | 95 Ų | 95 | 139.4 Ų | 139.4 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | trans | 69.4 | 120.7 | 140.5 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 198 | S | 38.2 | Very low | 49.7 | Very low | 114 Ų | 114 | 135.5 Ų | 135.5 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | 161.8 | 115 | 95.1 | -164.9 | 0 | 0 | 0 | 0 | 112 | |||||
| 199 | E | 37.5 | Very low | 48.7 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 95% | 0.953 | 79% | 0.794 | S | S | * | * | trans | -111.2 | 132.4 | 155.5 | -82.9 | -173.5 | 159 | 0 | 0 | 107.6 | ||||
| 200 | A | 40.6 | Very low | 47.2 | Very low | 83 Ų | 83 | 140.1 Ų | 140.1 | 69% | 0.686 | 81% | 0.812 | S | S | * | * | trans | -114 | 121.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 201 | Q | 42.3 | Very low | 45.6 | Very low | 181 Ų | 181 | 141.3 Ų | 141.3 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | 87.4 | 145.6 | 125.9 | -95.6 | 166.3 | -6.7 | 0 | 0 | 124.9 | |||||
| 202 | T | 39.7 | Very low | 44.6 | Very low | 145 Ų | 145 | 144.3 Ų | 144.3 | 89% | 0.89 | 84% | 0.835 | S | S | * | * | trans | 87.4 | 125.4 | 167.6 | 70.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 203 | G | 38.3 | Very low | 44 | Very low | 72 Ų | 72 | 146.3 Ų | 146.3 | 74% | 0.742 | 84% | 0.84 | S | S | * | * | cis | 163.2 | 139.5 | -1.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 204 | S | 41 | Very low | 43.6 | Very low | 133 Ų | 133 | 141.9 Ų | 141.9 | 93% | 0.93 | 84% | 0.841 | S | S | * | * | trans | -172.5 | 146.7 | 155.1 | -100.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 205 | E | 45.3 | Very low | 43.4 | Very low | 172 Ų | 172 | 135.9 Ų | 135.9 | 80% | 0.804 | 84% | 0.839 | S | S | * | * | trans | -83.9 | 166.2 | -165 | -63.1 | 172.2 | 87 | 0 | 0 | 116.3 | ||||
| 206 | L | 46 | Very low | 43.2 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 78% | 0.775 | 85% | 0.849 | S | S | * | * | trans | 90.4 | 132.9 | 130.9 | -116.6 | 77.4 | 0 | 0 | 0 | 123.8 | ||||
| 207 | S | 44 | Very low | 43.6 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 85% | 0.849 | S | S | * | * | trans | 71.8 | 106.6 | 157.2 | -92 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 208 | A | 50.6 | Low | 44 | Very low | 91 Ų | 91 | 137.8 Ų | 137.8 | 75% | 0.752 | 85% | 0.854 | S | S | * | * | 79.8 | 156.6 | 71.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 209 | P | 64.2 | Low | 44.5 | Very low | 205 Ų | 205 | 140 Ų | 140 | 100% | 1.331 | 86% | 0.859 | S | S | * | * | cis | -106.9 | 0 | -12.3 | 38.9 | -28.3 | 0 | 0 | 0 | 114.6 |
Retrieved 209 of 209 residues in 217.7 ms
(Link to these results)