| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 44.4 | Very low | 51.7 | Low | 253 Ų | 253 | 120.9 Ų | 120.9 | 100% | 1.246 | 70% | 0.702 | S | S | * | * | 0 | 90.2 | 0 | -78.4 | 154.4 | 132.1 | 0 | 0 | 107.4 | |||||
| 2 | G | 49.5 | Very low | 51.9 | Low | 87 Ų | 87 | 116.8 Ų | 116.8 | 90% | 0.897 | 69% | 0.685 | S | S | * | * | trans | -144.2 | 83 | -176.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | G | 47.3 | Very low | 52 | Low | 64 Ų | 64 | 116 Ų | 116 | 66% | 0.66 | 68% | 0.675 | S | S | * | * | trans | -165.1 | 22.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 4 | H | 47.8 | Very low | 52.3 | Low | 163 Ų | 163 | 115.1 Ų | 115.1 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -113.1 | -3.5 | 179.3 | -150 | -67.2 | 0 | 0 | 0 | 113.3 | ||
| 5 | G | 53.4 | Low | 52.5 | Low | 53 Ų | 53 | 119.4 Ų | 119.4 | 55% | 0.546 | 67% | 0.669 | S | S | . | * | S | Bend | trans | -96.5 | -13 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S9 | G5-S9 PolarHBondContact O-OG 3.44Š|
| 6 | V | 54.1 | Low | 53 | Low | 99 Ų | 99 | 116.6 Ų | 116.6 | 60% | 0.6 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -89.9 | -34 | -174.9 | 178.8 | 0 | 0 | 0 | 0 | 112 | S9 E10 | V6-S9 PolarHBondContact O-OG 3.39Å; V6-S9 VanDerWaalsContact O-OG 3.12Å; V6-E10 PolarHBondContact O-N 2.95Å |
| 7 | M | 54.4 | Low | 53.7 | Low | 147 Ų | 147 | 114.8 Ų | 114.8 | 72% | 0.724 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.2 | -35.4 | 177.8 | -79.3 | -173.3 | 155.9 | 0 | 0 | 113.1 | S9 E10 E11 | M7-S9 VanDerWaalsContact C-N 3.31Å; M7-S9 PolarHBondContact O-N 3.23Å; M7-E10 PolarHBondContact O-N 3.18Å; M7-E11 PolarHBondContact O-N 3.26Å |
| 8 | E | 53.3 | Low | 54.4 | Low | 137 Ų | 137 | 115.1 Ų | 115.1 | 64% | 0.64 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -72.7 | -26.9 | -179.1 | -155.8 | 173.5 | -162.5 | 0 | 0 | 112.4 | S12 | E8-S12 WeakPolarHBondContact O-CB 3.49Å; E8-S12 PolarHBondContact O-N 3.32Å; E8-S12 PolarHBondContact O-OG 3.36Å |
| 9 | S | 53.9 | Low | 55.2 | Low | 53 Ų | 53 | 115.1 Ų | 115.1 | 37% | 0.371 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -78.2 | -33.8 | 174.5 | 34.2 | 0 | 0 | 0 | 0 | 112.5 | G5 V6 M7 S12 L13 | G5-S9 PolarHBondContact O-OG 3.44Å; V6-S9 PolarHBondContact O-OG 3.39Å; V6-S9 VanDerWaalsContact O-OG 3.12Å; M7-S9 VanDerWaalsContact C-N 3.31Å; M7-S9 PolarHBondContact O-N 3.23Å; S9-S12 WeakPolarHBondContact CA-OG 3.27Å; S9-S12 PolarHBondContact O-OG 2.88Å; S9-L13 VanDerWaalsContact O-CB 3.28Å; S9-L13 WeakPolarHBondContact O-CB 3.27Å; S9-L13 VanDerWaalsContact O-CD1 3.31Å; S9-L13 WeakPolarHBondContact O-CD1 3.38Å; S9-L13 WeakPolarHBondContact O-CG 3.25Å; S9-L13 PolarHBondContact O-N 3.46Å |
| 10 | E | 55.7 | Low | 56.1 | Low | 129 Ų | 129 | 112.1 Ų | 112.1 | 60% | 0.603 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.7 | -41.3 | 174.7 | -70.8 | -164 | 141.7 | 0 | 0 | 112.9 | V6 M7 S12 L13 D14 | V6-E10 PolarHBondContact O-N 2.95Å; M7-E10 PolarHBondContact O-N 3.18Å; E10-S12 PolarHBondContact O-N 2.81Å; E10-L13 PolarHBondContact O-N 3.12Å; E10-D14 PolarHBondContact O-N 3.31Å |
| 11 | E | 54.5 | Low | 57.1 | Low | 145 Ų | 145 | 115.4 Ų | 115.4 | 68% | 0.678 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67.8 | -35.1 | 177.5 | -74.5 | -177.3 | 156.1 | 0 | 0 | 113.1 | M7 Y15 | M7-E11 PolarHBondContact O-N 3.26Å; E11-Y15 PolarHBondContact O-N 3.46Å |
| 12 | S | 54.5 | Low | 58.6 | Low | 71 Ų | 71 | 108 Ų | 108 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -75.1 | -30.4 | 174.6 | 52.2 | 0 | 0 | 0 | 0 | 112.8 | E8 S9 E10 S16 | E8-S12 WeakPolarHBondContact O-CB 3.49Å; E8-S12 PolarHBondContact O-N 3.32Å; E8-S12 PolarHBondContact O-OG 3.36Å; S9-S12 WeakPolarHBondContact CA-OG 3.27Å; S9-S12 PolarHBondContact O-OG 2.88Å; E10-S12 PolarHBondContact O-N 2.81Å; S12-S16 WeakPolarHBondContact O-CB 3.5Å; S12-S16 PolarHBondContact O-N 3.37Å |
| 13 | L | 53.2 | Low | 59.8 | Low | 107 Ų | 107 | 110.3 Ų | 110.3 | 56% | 0.56 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.1 | -41.2 | 170.6 | -77.6 | 169.1 | 0 | 0 | 0 | 111.9 | S9 E10 Y15 S16 V17 | S9-L13 VanDerWaalsContact O-CB 3.28Å; S9-L13 WeakPolarHBondContact O-CB 3.27Å; S9-L13 VanDerWaalsContact O-CD1 3.31Å; S9-L13 WeakPolarHBondContact O-CD1 3.38Å; S9-L13 WeakPolarHBondContact O-CG 3.25Å; S9-L13 PolarHBondContact O-N 3.46Å; E10-L13 PolarHBondContact O-N 3.12Å; L13-Y15 VanDerWaalsContact C-N 3.31Å; L13-Y15 PolarHBondContact O-N 3.07Å; L13-S16 PolarHBondContact O-N 3.3Å; L13-V17 WeakPolarHBondContact O-CB 3.38Å; L13-V17 VanDerWaalsContact O-CG2 3.27Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 3.44Å |
| 14 | D | 55.7 | Low | 61.4 | Low | 103 Ų | 103 | 109.2 Ų | 109.2 | 55% | 0.551 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.4 | -40.4 | 175.4 | -114.9 | -2.5 | 0 | 0 | 0 | 111.1 | E10 V17 H18 | E10-D14 PolarHBondContact O-N 3.31Å; D14-V17 PolarHBondContact O-N 2.73Å; D14-H18 WeakPolarHBondContact O-CB 3.29Å; D14-H18 PolarHBondContact O-CD2 3.4Å; D14-H18 PolarHBondContact O-N 3.17Å |
| 15 | Y | 56.2 | Low | 63.2 | Low | 180 Ų | 180 | 103.3 Ų | 103.3 | 71% | 0.706 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -42.2 | 173.4 | -122.7 | -88.3 | 0 | 0 | 0 | 112.6 | E11 L13 V17 H18 E19 | E11-Y15 PolarHBondContact O-N 3.46Å; L13-Y15 VanDerWaalsContact C-N 3.31Å; L13-Y15 PolarHBondContact O-N 3.07Å; Y15-V17 PolarHBondContact O-N 2.79Å; Y15-H18 PolarHBondContact O-N 3.47Å; Y15-E19 WeakPolarHBondContact O-CB 3.02Å; Y15-E19 PolarHBondContact O-N 2.82Å |
| 16 | S | 60.8 | Low | 64.8 | Low | 74 Ų | 74 | 105.1 Ų | 105.1 | 52% | 0.517 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 175.8 | -176 | 0 | 0 | 0 | 0 | 113 | S12 L13 A20 | S12-S16 WeakPolarHBondContact O-CB 3.5Å; S12-S16 PolarHBondContact O-N 3.37Å; L13-S16 PolarHBondContact O-N 3.3Å; S16-A20 WeakPolarHBondContact O-CB 3.28Å; S16-A20 PolarHBondContact O-N 3.43Å |
| 17 | V | 64.5 | Low | 66.4 | Low | 87 Ų | 87 | 104.3 Ų | 104.3 | 53% | 0.527 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -73.2 | -40.4 | 177.8 | 170.3 | 0 | 0 | 0 | 0 | 110.4 | L13 D14 Y15 E19 A20 W21 | L13-V17 WeakPolarHBondContact O-CB 3.38Å; L13-V17 VanDerWaalsContact O-CG2 3.27Å; L13-V17 WeakPolarHBondContact O-CG2 3.31Å; L13-V17 PolarHBondContact O-N 3.44Å; D14-V17 PolarHBondContact O-N 2.73Å; Y15-V17 PolarHBondContact O-N 2.79Å; V17-E19 VanDerWaalsContact C-N 3.32Å; V17-E19 PolarHBondContact O-N 3.4Å; V17-A20 PolarHBondContact O-N 2.87Å; V17-W21 VanDerWaalsContact O-CB 3.3Å; V17-W21 WeakPolarHBondContact O-CB 3.48Å; V17-W21 PolarHBondContact O-N 2.8Å |
| 18 | H | 66.6 | Low | 68.1 | Low | 119 Ų | 119 | 104.9 Ų | 104.9 | 55% | 0.551 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.6 | -37.4 | 173.4 | -80.9 | -60.8 | 0 | 0 | 0 | 112.5 | D14 Y15 W21 N22 | D14-H18 WeakPolarHBondContact O-CB 3.29Å; D14-H18 PolarHBondContact O-CD2 3.4Å; D14-H18 PolarHBondContact O-N 3.17Å; Y15-H18 PolarHBondContact O-N 3.47Å; H18-W21 PolarHBondContact O-N 3.16Å; H18-N22 VanDerWaalsContact O-CB 3.23Å; H18-N22 WeakPolarHBondContact O-CB 3.45Å; H18-N22 PolarHBondContact O-N 2.83Å |
| 19 | E | 69 | Low | 69.9 | Low | 116 Ų | 116 | 102.8 Ų | 102.8 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.6 | -47.7 | 173.4 | -157.5 | 82.6 | -141.8 | 0 | 0 | 111.1 | Y15 V17 W21 N22 E23 | Y15-E19 WeakPolarHBondContact O-CB 3.02Å; Y15-E19 PolarHBondContact O-N 2.82Å; V17-E19 VanDerWaalsContact C-N 3.32Å; V17-E19 PolarHBondContact O-N 3.4Å; E19-W21 VanDerWaalsContact C-N 3.3Å; E19-W21 PolarHBondContact O-N 2.78Å; E19-N22 WeakPolarHBondContact O-CB 3.5Å; E19-N22 PolarHBondContact O-N 2.95Å; E19-E23 WeakPolarHBondContact O-CB 3.37Å; E19-E23 PolarHBondContact O-N 3.03Å |
| 20 | A | 72.7 | Confident | 71.7 | Confident | 54 Ų | 54 | 105 Ų | 105 | 45% | 0.446 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65 | -34.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | S16 V17 A24 | S16-A20 WeakPolarHBondContact O-CB 3.28Å; S16-A20 PolarHBondContact O-N 3.43Å; V17-A20 PolarHBondContact O-N 2.87Å; A20-A24 VanDerWaalsContact O-CB 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.17Å; A20-A24 PolarHBondContact O-N 2.75Å |
| 21 | W | 78 | Confident | 73.5 | Confident | 182 Ų | 182 | 103.1 Ų | 103.1 | 69% | 0.689 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -72.1 | -37.6 | 175.4 | -156.1 | 81.8 | 0 | 0 | 0 | 111.6 | V17 H18 E19 T25 | V17-W21 VanDerWaalsContact O-CB 3.3Å; V17-W21 WeakPolarHBondContact O-CB 3.48Å; V17-W21 PolarHBondContact O-N 2.8Å; H18-W21 PolarHBondContact O-N 3.16Å; E19-W21 VanDerWaalsContact C-N 3.3Å; E19-W21 PolarHBondContact O-N 2.78Å; W21-T25 WeakPolarHBondContact O-CB 3.45Å; W21-T25 PolarHBondContact O-N 3.39Å; W21-T25 PolarHBondContact O-OG1 2.83Å |
| 22 | N | 76.4 | Confident | 75.4 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 52% | 0.519 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 173.9 | -179.7 | 52.2 | 0 | 0 | 0 | 111.4 | H18 E19 T25 N26 | H18-N22 VanDerWaalsContact O-CB 3.23Å; H18-N22 WeakPolarHBondContact O-CB 3.45Å; H18-N22 PolarHBondContact O-N 2.83Å; E19-N22 WeakPolarHBondContact O-CB 3.5Å; E19-N22 PolarHBondContact O-N 2.95Å; N22-T25 PolarHBondContact O-N 2.81Å; N22-N26 VanDerWaalsContact O-CB 3.31Å; N22-N26 WeakPolarHBondContact O-CB 3.17Å; N22-N26 PolarHBondContact O-N 3.4Å |
| 23 | E | 74.3 | Confident | 77.3 | Confident | 136 Ų | 136 | 102.8 Ų | 102.8 | 64% | 0.636 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.6 | -48.8 | 175.3 | -171.3 | 176.3 | -177.4 | 0 | 0 | 111.1 | E19 T25 N26 V27 | E19-E23 WeakPolarHBondContact O-CB 3.37Å; E19-E23 PolarHBondContact O-N 3.03Å; E23-T25 VanDerWaalsContact C-N 3.33Å; E23-T25 PolarHBondContact O-N 2.84Å; E23-N26 PolarHBondContact O-N 2.74Å; E23-V27 WeakPolarHBondContact O-CG2 3.15Å; E23-V27 PolarHBondContact O-N 2.97Å |
| 24 | A | 81.4 | Confident | 79.3 | Confident | 41 Ų | 41 | 102 Ų | 102 | 34% | 0.339 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A20 N26 V27 Y28 | A20-A24 VanDerWaalsContact O-CB 3.28Å; A20-A24 WeakPolarHBondContact O-CB 3.17Å; A20-A24 PolarHBondContact O-N 2.75Å; A24-N26 PolarHBondContact O-N 2.81Å; A24-V27 WeakPolarHBondContact O-CB 3.38Å; A24-V27 PolarHBondContact O-N 2.8Å; A24-Y28 HydrophobicContact CB-CE2 4.16Å; A24-Y28 WeakPolarHBondContact O-CD2 3.29Å; A24-Y28 PolarHBondContact O-N 2.94Å |
| 25 | T | 84.1 | Confident | 81.1 | Confident | 40 Ų | 40 | 100.4 Ų | 100.4 | 25% | 0.245 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 178.4 | -61.9 | 0 | 0 | 0 | 0 | 111.6 | W21 N22 E23 V27 Y28 L29 | W21-T25 WeakPolarHBondContact O-CB 3.45Å; W21-T25 PolarHBondContact O-N 3.39Å; W21-T25 PolarHBondContact O-OG1 2.83Å; N22-T25 PolarHBondContact O-N 2.81Å; E23-T25 VanDerWaalsContact C-N 3.33Å; E23-T25 PolarHBondContact O-N 2.84Å; T25-V27 VanDerWaalsContact C-N 3.31Å; T25-V27 PolarHBondContact O-N 2.88Å; T25-Y28 CarbonylContact O-C 3.59Å; T25-Y28 PolarHBondContact O-N 2.91Å; T25-Y28 VanDerWaalsContact O-N 3.12Å; T25-L29 HydrophobicContact CG2-CD1 4.01Å; T25-L29 HydrophobicContact CG2-CG 4.18Å; T25-L29 WeakPolarHBondContact O-CB 3.38Å; T25-L29 VanDerWaalsContact O-CG 3.24Å; T25-L29 WeakPolarHBondContact O-CG 3.16Å; T25-L29 PolarHBondContact O-N 2.88Å |
| 26 | N | 86.5 | Confident | 82.9 | Confident | 90 Ų | 90 | 98.3 Ų | 98.3 | 48% | 0.481 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 177.9 | -165.5 | 9.3 | 0 | 0 | 0 | 111.3 | N22 E23 A24 Y28 L29 L30 | N22-N26 VanDerWaalsContact O-CB 3.31Å; N22-N26 WeakPolarHBondContact O-CB 3.17Å; N22-N26 PolarHBondContact O-N 3.4Å; E23-N26 PolarHBondContact O-N 2.74Å; A24-N26 PolarHBondContact O-N 2.81Å; N26-Y28 PolarHBondContact O-N 3.48Å; N26-L29 PolarHBondContact O-N 3.48Å; N26-L30 WeakPolarHBondContact O-CG 3.48Å; N26-L30 PolarHBondContact O-N 3.24Å |
| 27 | V | 88.4 | Confident | 84.3 | Confident | 83 Ų | 83 | 96.8 Ų | 96.8 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 172.1 | 174.9 | 0 | 0 | 0 | 0 | 111 | E23 A24 T25 L29 L30 V31 | E23-V27 WeakPolarHBondContact O-CG2 3.15Å; E23-V27 PolarHBondContact O-N 2.97Å; A24-V27 WeakPolarHBondContact O-CB 3.38Å; A24-V27 PolarHBondContact O-N 2.8Å; T25-V27 VanDerWaalsContact C-N 3.31Å; T25-V27 PolarHBondContact O-N 2.88Å; V27-L29 PolarHBondContact O-N 2.91Å; V27-L30 PolarHBondContact O-N 3.48Å; V27-V31 WeakPolarHBondContact O-CG2 3.46Å; V27-V31 PolarHBondContact O-N 3.44Å |
| 28 | Y | 90.4 | Very high | 85.4 | Confident | 158 Ų | 158 | 98 Ų | 98 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -40.5 | 176.6 | -69.6 | -60.5 | 0 | 0 | 0 | 112.6 | A24 T25 N26 L30 V31 I32 | A24-Y28 HydrophobicContact CB-CE2 4.16Å; A24-Y28 WeakPolarHBondContact O-CD2 3.29Å; A24-Y28 PolarHBondContact O-N 2.94Å; T25-Y28 CarbonylContact O-C 3.59Å; T25-Y28 PolarHBondContact O-N 2.91Å; T25-Y28 VanDerWaalsContact O-N 3.12Å; N26-Y28 PolarHBondContact O-N 3.48Å; Y28-L30 VanDerWaalsContact C-N 3.34Å; Y28-L30 PolarHBondContact O-N 2.85Å; Y28-V31 PolarHBondContact O-N 3.37Å; Y28-I32 WeakPolarHBondContact O-CB 3.44Å; Y28-I32 WeakPolarHBondContact O-CD1 3.27Å; Y28-I32 WeakPolarHBondContact O-CG1 3.28Å; Y28-I32 PolarHBondContact O-N 2.64Å |
| 29 | L | 91.6 | Very high | 86.3 | Confident | 93 Ų | 93 | 97 Ų | 97 | 49% | 0.487 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 177.6 | -70.4 | 174.4 | 0 | 0 | 0 | 111.6 | T25 N26 V27 I32 L33 | T25-L29 HydrophobicContact CG2-CD1 4.01Å; T25-L29 HydrophobicContact CG2-CG 4.18Å; T25-L29 WeakPolarHBondContact O-CB 3.38Å; T25-L29 VanDerWaalsContact O-CG 3.24Å; T25-L29 WeakPolarHBondContact O-CG 3.16Å; T25-L29 PolarHBondContact O-N 2.88Å; N26-L29 PolarHBondContact O-N 3.48Å; V27-L29 PolarHBondContact O-N 2.91Å; L29-I32 PolarHBondContact O-N 3.26Å; L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 2.65Å |
| 30 | L | 91.8 | Very high | 87 | Confident | 100 Ų | 100 | 98 Ų | 98 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -44.4 | 173.6 | -70.3 | 176.3 | 0 | 0 | 0 | 111.9 | N26 V27 Y28 I32 L33 V34 | N26-L30 WeakPolarHBondContact O-CG 3.48Å; N26-L30 PolarHBondContact O-N 3.24Å; V27-L30 PolarHBondContact O-N 3.48Å; Y28-L30 VanDerWaalsContact C-N 3.34Å; Y28-L30 PolarHBondContact O-N 2.85Å; L30-I32 VanDerWaalsContact C-N 3.31Å; L30-I32 PolarHBondContact O-N 2.65Å; L30-L33 PolarHBondContact O-N 3.38Å; L30-V34 WeakPolarHBondContact O-CB 3.32Å; L30-V34 VanDerWaalsContact O-CG2 3.27Å; L30-V34 WeakPolarHBondContact O-CG2 3.37Å; L30-V34 PolarHBondContact O-N 2.86Å |
| 31 | V | 93.4 | Very high | 87.4 | Confident | 89 Ų | 89 | 103.1 Ų | 103.1 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 176.1 | 172.5 | 0 | 0 | 0 | 0 | 111 | V27 Y28 V34 S35 | V27-V31 WeakPolarHBondContact O-CG2 3.46Å; V27-V31 PolarHBondContact O-N 3.44Å; Y28-V31 PolarHBondContact O-N 3.37Å; V31-V34 PolarHBondContact O-N 2.77Å; V31-S35 WeakPolarHBondContact O-CB 3.1Å; V31-S35 PolarHBondContact O-N 3Å |
| 32 | I | 93.4 | Very high | 87.3 | Confident | 90 Ų | 90 | 96.4 Ų | 96.4 | 46% | 0.462 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 176.8 | -69.2 | 162.7 | 0 | 0 | 0 | 110.8 | Y28 L29 L30 S35 F36 | Y28-I32 WeakPolarHBondContact O-CB 3.44Å; Y28-I32 WeakPolarHBondContact O-CD1 3.27Å; Y28-I32 WeakPolarHBondContact O-CG1 3.28Å; Y28-I32 PolarHBondContact O-N 2.64Å; L29-I32 PolarHBondContact O-N 3.26Å; L30-I32 VanDerWaalsContact C-N 3.31Å; L30-I32 PolarHBondContact O-N 2.65Å; I32-S35 WeakPolarHBondContact O-CB 3.27Å; I32-S35 PolarHBondContact O-N 3.07Å; I32-F36 HydrophobicContact CG2-CD2 4.11Å; I32-F36 WeakPolarHBondContact O-CB 3.4Å; I32-F36 PolarHBondContact O-N 2.84Å |
| 33 | L | 94.8 | Very high | 87.2 | Confident | 120 Ų | 120 | 99.5 Ų | 99.5 | 63% | 0.628 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -63.3 | -45 | 177.1 | -82 | 168.2 | 0 | 0 | 0 | 112.2 | L29 L30 S35 F36 G37 | L29-L33 WeakPolarHBondContact O-CB 3.38Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 2.65Å; L30-L33 PolarHBondContact O-N 3.38Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-F36 PolarHBondContact O-N 2.79Å; L33-G37 PolarHBondContact O-N 2.76Å |
| 34 | V | 94.7 | Very high | 87.1 | Confident | 91 Ų | 91 | 101.8 Ų | 101.8 | 55% | 0.552 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.8 | -42.9 | 176.2 | 170.8 | 0 | 0 | 0 | 0 | 110.4 | L30 V31 G37 L38 | L30-V34 WeakPolarHBondContact O-CB 3.32Å; L30-V34 VanDerWaalsContact O-CG2 3.27Å; L30-V34 WeakPolarHBondContact O-CG2 3.37Å; L30-V34 PolarHBondContact O-N 2.86Å; V31-V34 PolarHBondContact O-N 2.77Å; V34-G37 PolarHBondContact O-N 3.47Å; V34-L38 HydrophobicContact CG1-CD1 3.76Å; V34-L38 WeakPolarHBondContact O-CB 3.16Å; V34-L38 WeakPolarHBondContact O-CD1 3.21Å; V34-L38 WeakPolarHBondContact O-CG 3.44Å; V34-L38 PolarHBondContact O-N 3.43Å |
| 35 | S | 93.4 | Very high | 86.4 | Confident | 68 Ų | 68 | 102 Ų | 102 | 48% | 0.476 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 174.4 | -177 | 0 | 0 | 0 | 0 | 111.8 | V31 I32 L33 G37 L38 L39 | V31-S35 WeakPolarHBondContact O-CB 3.1Å; V31-S35 PolarHBondContact O-N 3Å; I32-S35 WeakPolarHBondContact O-CB 3.27Å; I32-S35 PolarHBondContact O-N 3.07Å; L33-S35 VanDerWaalsContact C-N 3.33Å; S35-G37 PolarHBondContact O-N 2.85Å; S35-L38 PolarHBondContact O-N 2.83Å; S35-L39 WeakPolarHBondContact O-CB 3.15Å; S35-L39 PolarHBondContact O-N 3.14Å |
| 36 | F | 94 | Very high | 85.5 | Confident | 136 Ų | 136 | 105.1 Ų | 105.1 | 60% | 0.596 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.9 | -38.7 | 175.6 | -105.9 | -83.1 | 0 | 0 | 0 | 112.6 | I32 L33 L39 M40 | I32-F36 HydrophobicContact CG2-CD2 4.11Å; I32-F36 WeakPolarHBondContact O-CB 3.4Å; I32-F36 PolarHBondContact O-N 2.84Å; L33-F36 PolarHBondContact O-N 2.79Å; F36-L39 PolarHBondContact O-N 2.77Å; F36-M40 VanDerWaalsContact O-CB 3.31Å; F36-M40 WeakPolarHBondContact O-CB 3.4Å; F36-M40 PolarHBondContact O-N 3.11Å |
| 37 | G | 91.5 | Very high | 84.3 | Confident | 42 Ų | 42 | 111.6 Ų | 111.6 | 43% | 0.433 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.8 | -47 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | L33 V34 S35 M40 Y41 | L33-G37 PolarHBondContact O-N 2.76Å; V34-G37 PolarHBondContact O-N 3.47Å; S35-G37 PolarHBondContact O-N 2.85Å; G37-M40 PolarHBondContact O-N 3.01Å; G37-Y41 WeakPolarHBondContact O-CB 2.99Å; G37-Y41 PolarHBondContact O-N 3.04Å |
| 38 | L | 88.2 | Confident | 83.1 | Confident | 114 Ų | 114 | 114.5 Ų | 114.5 | 60% | 0.597 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -62.3 | -42.9 | 173.6 | -77 | 160.4 | 0 | 0 | 0 | 111.5 | V34 S35 Y41 A42 | V34-L38 HydrophobicContact CG1-CD1 3.76Å; V34-L38 WeakPolarHBondContact O-CB 3.16Å; V34-L38 WeakPolarHBondContact O-CD1 3.21Å; V34-L38 WeakPolarHBondContact O-CG 3.44Å; V34-L38 PolarHBondContact O-N 3.43Å; S35-L38 PolarHBondContact O-N 2.83Å; L38-Y41 PolarHBondContact O-N 2.99Å; L38-A42 VanDerWaalsContact O-CB 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.19Å; L38-A42 PolarHBondContact O-N 3.43Å |
| 39 | L | 84.3 | Confident | 81.7 | Confident | 96 Ų | 96 | 110.8 Ų | 110.8 | 50% | 0.503 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67 | -42.2 | 178.4 | -174.4 | 136.5 | 0 | 0 | 0 | 111.5 | S35 F36 R43 | S35-L39 WeakPolarHBondContact O-CB 3.15Å; S35-L39 PolarHBondContact O-N 3.14Å; F36-L39 PolarHBondContact O-N 2.77Å; L39-R43 WeakPolarHBondContact O-CA 3.13Å; L39-R43 WeakPolarHBondContact O-CB 3.2Å; L39-R43 PolarHBondContact O-N 3.45Å |
| 40 | M | 84.7 | Confident | 80.2 | Confident | 138 Ų | 138 | 112.9 Ų | 112.9 | 68% | 0.68 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.3 | -40.9 | 172.6 | -90.9 | -140.3 | 152 | 0 | 0 | 111.7 | F36 G37 R43 K44 | F36-M40 VanDerWaalsContact O-CB 3.31Å; F36-M40 WeakPolarHBondContact O-CB 3.4Å; F36-M40 PolarHBondContact O-N 3.11Å; G37-M40 PolarHBondContact O-N 3.01Å; M40-R43 CarbonylContact O-C 3.42Å; M40-R43 PolarHBondContact O-N 3.18Å; M40-K44 VanDerWaalsContact O-CB 3.26Å; M40-K44 WeakPolarHBondContact O-CB 3.05Å; M40-K44 PolarHBondContact O-N 3.04Å |
| 41 | Y | 81.1 | Confident | 78.8 | Confident | 161 Ų | 161 | 117.9 Ų | 117.9 | 63% | 0.631 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.2 | -48.9 | 177.1 | -178.6 | -95.4 | 0 | 0 | 0 | 111.2 | G37 L38 R43 K44 N45 | G37-Y41 WeakPolarHBondContact O-CB 2.99Å; G37-Y41 PolarHBondContact O-N 3.04Å; L38-Y41 PolarHBondContact O-N 2.99Å; Y41-R43 VanDerWaalsContact C-N 3.33Å; Y41-R43 PolarHBondContact O-N 3.06Å; Y41-K44 PolarHBondContact O-N 2.78Å; Y41-N45 WeakPolarHBondContact CE1-ND2 3.43Å; Y41-N45 VanDerWaalsContact CE2-ND2 3.31Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.32Å; Y41-N45 WeakPolarHBondContact O-CB 3.45Å; Y41-N45 PolarHBondContact O-N 3.09Å; Y41-N45 PolarHBondContact O-ND2 3.38Å |
| 42 | A | 75 | Confident | 77.5 | Confident | 42 Ų | 42 | 119.7 Ų | 119.7 | 35% | 0.347 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.6 | -40.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | L38 K44 N45 K46 | L38-A42 VanDerWaalsContact O-CB 3.24Å; L38-A42 WeakPolarHBondContact O-CB 3.19Å; L38-A42 PolarHBondContact O-N 3.43Å; A42-K44 VanDerWaalsContact C-N 3.32Å; A42-K44 PolarHBondContact O-N 3.22Å; A42-N45 CarbonylContact O-C 3.28Å; A42-N45 VanDerWaalsContact O-C 3.28Å; A42-N45 PolarHBondContact O-N 2.79Å; A42-K46 WeakPolarHBondContact O-CA 3.41Å; A42-K46 WeakPolarHBondContact O-CB 3.24Å; A42-K46 PolarHBondContact O-N 2.88Å |
| 43 | R | 74.5 | Confident | 75.8 | Confident | 161 Ų | 161 | 123.9 Ų | 123.9 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.4 | -17.6 | 176.8 | -171.8 | 175 | -179.9 | 149.3 | 4.9 | 112.7 | L39 M40 Y41 K46 | L39-R43 WeakPolarHBondContact O-CA 3.13Å; L39-R43 WeakPolarHBondContact O-CB 3.2Å; L39-R43 PolarHBondContact O-N 3.45Å; M40-R43 CarbonylContact O-C 3.42Å; M40-R43 PolarHBondContact O-N 3.18Å; Y41-R43 VanDerWaalsContact C-N 3.33Å; Y41-R43 PolarHBondContact O-N 3.06Å; R43-K46 HydrophobicContact CG-CD 3.99Å; R43-K46 WeakPolarHBondContact O-CD 3.14Å; R43-K46 WeakPolarHBondContact O-CE 3.07Å; R43-K46 WeakPolarHBondContact O-CG 3.36Å; R43-K46 PolarHBondContact O-NZ 3.47Å |
| 44 | K | 71.9 | Confident | 73.9 | Confident | 184 Ų | 184 | 120.8 Ų | 120.8 | 80% | 0.8 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -88 | -35.3 | 171.9 | -165.3 | 170.2 | -179 | 177.1 | 0 | 110.3 | M40 Y41 A42 | M40-K44 VanDerWaalsContact O-CB 3.26Å; M40-K44 WeakPolarHBondContact O-CB 3.05Å; M40-K44 PolarHBondContact O-N 3.04Å; Y41-K44 PolarHBondContact O-N 2.78Å; A42-K44 VanDerWaalsContact C-N 3.32Å; A42-K44 PolarHBondContact O-N 3.22Å |
| 45 | N | 67.1 | Low | 71.7 | Confident | 46 Ų | 46 | 123 Ų | 123 | 25% | 0.246 | 59% | 0.586 | C | S | . | * | S | Bend | trans | -94.7 | 15.9 | 176.4 | -65.1 | -36.6 | 0 | 0 | 0 | 113.8 | Y41 A42 R47 K48 I49 | Y41-N45 WeakPolarHBondContact CE1-ND2 3.43Å; Y41-N45 VanDerWaalsContact CE2-ND2 3.31Å; Y41-N45 WeakPolarHBondContact CE2-ND2 3.32Å; Y41-N45 WeakPolarHBondContact O-CB 3.45Å; Y41-N45 PolarHBondContact O-N 3.09Å; Y41-N45 PolarHBondContact O-ND2 3.38Å; A42-N45 CarbonylContact O-C 3.28Å; A42-N45 VanDerWaalsContact O-C 3.28Å; A42-N45 PolarHBondContact O-N 2.79Å; N45-R47 PolarHBondContact O-N 2.76Å; N45-R47 VanDerWaalsContact O-N 3.09Å; N45-K48 WeakPolarHBondContact O-CA 2.89Å; N45-K48 WeakPolarHBondContact O-CB 3.1Å; N45-K48 PolarHBondContact O-N 3.39Å; N45-I49 PolarHBondContact O-N 3.4Å |
| 46 | K | 64.5 | Low | 69.7 | Low | 105 Ų | 105 | 125 Ų | 125 | 46% | 0.457 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -56.6 | -31.1 | -173.5 | 47.8 | -169.7 | 170.6 | -140.6 | 0 | 113.7 | A42 R43 K48 M50 | A42-K46 WeakPolarHBondContact O-CA 3.41Å; A42-K46 WeakPolarHBondContact O-CB 3.24Å; A42-K46 PolarHBondContact O-N 2.88Å; R43-K46 HydrophobicContact CG-CD 3.99Å; R43-K46 WeakPolarHBondContact O-CD 3.14Å; R43-K46 WeakPolarHBondContact O-CE 3.07Å; R43-K46 WeakPolarHBondContact O-CG 3.36Å; R43-K46 PolarHBondContact O-NZ 3.47Å; K46-K48 VanDerWaalsContact C-N 3.33Å; K46-K48 PolarHBondContact O-N 3.44Å; K46-M50 WeakPolarHBondContact O-CB 3.31Å; K46-M50 PolarHBondContact O-N 2.86Å |
| 47 | R | 61.5 | Low | 67.6 | Low | 226 Ų | 226 | 123.4 Ų | 123.4 | 85% | 0.853 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.8 | -27.9 | 172.6 | -64.9 | -173.3 | -169.8 | 174.1 | 3.4 | 113.7 | N45 | N45-R47 PolarHBondContact O-N 2.76Å; N45-R47 VanDerWaalsContact O-N 3.09Å |
| 48 | K | 62.3 | Low | 65.2 | Low | 145 Ų | 145 | 126.4 Ų | 126.4 | 63% | 0.63 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -87.5 | -42.4 | 178.5 | -69.3 | -172.7 | 177.8 | -175.7 | 0 | 111.8 | N45 K46 R51 I52 | N45-K48 WeakPolarHBondContact O-CA 2.89Å; N45-K48 WeakPolarHBondContact O-CB 3.1Å; N45-K48 PolarHBondContact O-N 3.39Å; K46-K48 VanDerWaalsContact C-N 3.33Å; K46-K48 PolarHBondContact O-N 3.44Å; K48-R51 WeakPolarHBondContact O-CB 3.41Å; K48-R51 PolarHBondContact O-N 3.47Å; K48-I52 WeakPolarHBondContact O-CD1 3.35Å; K48-I52 WeakPolarHBondContact O-CG1 3.19Å; K48-I52 PolarHBondContact O-N 3.29Å |
| 49 | I | 62.8 | Low | 63.1 | Low | 80 Ų | 80 | 126.2 Ų | 126.2 | 41% | 0.41 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -72.6 | -38.4 | -179.6 | -126.9 | 77.3 | 0 | 0 | 0 | 111.9 | N45 R51 I52 F53 | N45-I49 PolarHBondContact O-N 3.4Å; I49-R51 PolarHBondContact O-N 2.79Å; I49-I52 PolarHBondContact O-N 2.76Å; I49-F53 HydrophobicContact CG1-CD2 4.45Å; I49-F53 PolarHBondContact O-N 3.44Å |
| 50 | M | 59.8 | Low | 61.1 | Low | 136 Ų | 136 | 123.8 Ų | 123.8 | 67% | 0.67 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -62.4 | -24.7 | 171.7 | -169.4 | -173.5 | -74.2 | 0 | 0 | 111.1 | K46 I52 A54 | K46-M50 WeakPolarHBondContact O-CB 3.31Å; K46-M50 PolarHBondContact O-N 2.86Å; M50-I52 VanDerWaalsContact C-N 3.35Å; M50-A54 WeakPolarHBondContact O-CB 3.49Å; M50-A54 PolarHBondContact O-N 3.41Å; M50-A54 VanDerWaalsContact O-N 3.11Å |
| 51 | R | 61.7 | Low | 59 | Low | 205 Ų | 205 | 121.4 Ų | 121.4 | 77% | 0.774 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -75.7 | -18.5 | 174.8 | -116.6 | -174.1 | -174 | 163.5 | 2.3 | 114.5 | K48 I49 | K48-R51 WeakPolarHBondContact O-CB 3.41Å; K48-R51 PolarHBondContact O-N 3.47Å; I49-R51 PolarHBondContact O-N 2.79Å |
| 52 | I | 66.7 | Low | 56.9 | Low | 128 Ų | 128 | 118.2 Ų | 118.2 | 66% | 0.656 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -106.8 | -32.5 | -174.3 | -56.4 | 160.5 | 0 | 0 | 0 | 110.7 | K48 I49 M50 | K48-I52 WeakPolarHBondContact O-CD1 3.35Å; K48-I52 WeakPolarHBondContact O-CG1 3.19Å; K48-I52 PolarHBondContact O-N 3.29Å; I49-I52 PolarHBondContact O-N 2.76Å; M50-I52 VanDerWaalsContact C-N 3.35Å |
| 53 | F | 56.5 | Low | 55.4 | Low | 178 Ų | 178 | 120.6 Ų | 120.6 | 78% | 0.781 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -97.8 | -22.7 | 177.6 | -85.9 | -82.1 | 0 | 0 | 0 | 114.6 | I49 L55 | I49-F53 HydrophobicContact CG1-CD2 4.45Å; I49-F53 PolarHBondContact O-N 3.44Å; F53-L55 PolarHBondContact O-N 2.76Å |
| 54 | A | 56.7 | Low | 53.8 | Low | 54 Ų | 54 | 118.8 Ų | 118.8 | 45% | 0.446 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -67.7 | 132.8 | 154.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | M50 | M50-A54 WeakPolarHBondContact O-CB 3.49Å; M50-A54 PolarHBondContact O-N 3.41Å; M50-A54 VanDerWaalsContact O-N 3.11Å |
| 55 | L | 48.2 | Very low | 52.9 | Low | 137 Ų | 137 | 114.8 Ų | 114.8 | 72% | 0.717 | 64% | 0.635 | S | S | * | * | trans | -23.9 | 151.6 | 163.7 | -87.6 | 56.4 | 0 | 0 | 0 | 112.9 | F53 | F53-L55 PolarHBondContact O-N 2.76Š| ||
| 56 | P | 49.8 | Very low | 52.4 | Low | 110 Ų | 110 | 116.6 Ų | 116.6 | 71% | 0.714 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -37.4 | 123.9 | 170.7 | 18.7 | -32.9 | 0 | 0 | 0 | 106.8 | T58 | P56-T58 PolarHBondContact O-N 3.34Š|
| 57 | P | 50.8 | Low | 51.7 | Low | 104 Ų | 104 | 117 Ų | 117 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | trans | -43.7 | 115.9 | -172.4 | 19.3 | -31.8 | 0 | 0 | 0 | 104.2 | A59 | P57-A59 VanDerWaalsContact C-N 3.32Å; P57-A59 PolarHBondContact O-N 2.77Å | ||
| 58 | T | 41.3 | Very low | 51.1 | Low | 104 Ų | 104 | 114.7 Ų | 114.7 | 64% | 0.638 | 64% | 0.639 | S | S | * | * | trans | -39.5 | 113.6 | 172.4 | 41.6 | 0 | 0 | 0 | 0 | 104.1 | P56 G60 A61 | P56-T58 PolarHBondContact O-N 3.34Å; T58-G60 CarbonylContact O-C 3.51Å; T58-G60 VanDerWaalsContact O-CA 3.27Å; T58-G60 WeakPolarHBondContact O-CA 3.37Å; T58-G60 PolarHBondContact O-N 2.73Å; T58-A61 PolarHBondContact O-N 3.19Å | ||
| 59 | A | 43.8 | Very low | 50.8 | Low | 111 Ų | 111 | 111.2 Ų | 111.2 | 92% | 0.917 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.9 | 83.6 | 167.2 | 0 | 0 | 0 | 0 | 0 | 104.2 | P57 | P57-A59 VanDerWaalsContact C-N 3.32Å; P57-A59 PolarHBondContact O-N 2.77Å |
| 60 | G | 43 | Very low | 50.6 | Low | 44 Ų | 44 | 109.8 Ų | 109.8 | 45% | 0.454 | 63% | 0.625 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 165.7 | -19.4 | -146.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | T58 T62 | T58-G60 CarbonylContact O-C 3.51Å; T58-G60 VanDerWaalsContact O-CA 3.27Å; T58-G60 WeakPolarHBondContact O-CA 3.37Å; T58-G60 PolarHBondContact O-N 2.73Å; G60-T62 PolarHBondContact O-N 3.46Å |
| 61 | A | 39.1 | Very low | 50.4 | Low | 89 Ų | 89 | 106.8 Ų | 106.8 | 74% | 0.736 | 61% | 0.611 | S | S | * | * | -81 | 59.6 | 130 | 0 | 0 | 0 | 0 | 0 | 106.8 | T58 A63 | T58-A61 PolarHBondContact O-N 3.19Å; A61-A63 VanDerWaalsContact C-N 3.25Å; A61-A63 PolarHBondContact O-N 3.3Å | |||
| 62 | T | 39 | Very low | 50.1 | Low | 93 Ų | 93 | 102.6 Ų | 102.6 | 57% | 0.571 | 60% | 0.6 | S | S | * | * | trans | -41.2 | 116.4 | 131.9 | 45.9 | 0 | 0 | 0 | 0 | 103.1 | G60 E64 | G60-T62 PolarHBondContact O-N 3.46Å; T62-E64 PolarHBondContact O-N 2.82Å | ||
| 63 | A | 42.5 | Very low | 49.6 | Very low | 93 Ų | 93 | 102.6 Ų | 102.6 | 77% | 0.769 | 60% | 0.596 | S | S | * | * | trans | -47.9 | 92.9 | 138.8 | 0 | 0 | 0 | 0 | 0 | 102.2 | A61 P65 | A61-A63 VanDerWaalsContact C-N 3.25Å; A61-A63 PolarHBondContact O-N 3.3Å; A63-P65 VanDerWaalsContact C-N 3.28Å; A63-P65 WeakPolarHBondContact O-CD 3.46Å | ||
| 64 | E | 41.9 | Very low | 49.6 | Very low | 122 Ų | 122 | 98.2 Ų | 98.2 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | trans | -49.1 | 109.9 | 175.5 | -172.4 | -169.9 | 157.3 | 0 | 0 | 100.5 | T62 N66 F67 | T62-E64 PolarHBondContact O-N 2.82Å; E64-N66 WeakPolarHBondContact O-CA 3.39Å; E64-N66 PolarHBondContact O-N 3.45Å; E64-F67 HydrophobicContact CG-CB 4.4Å; E64-F67 HydrophobicContact CG-CD2 4.4Å; E64-F67 VanDerWaalsContact OE1-CB 3.28Å; E64-F67 WeakPolarHBondContact OE1-CB 3.18Å | ||
| 65 | P | 51.8 | Low | 49.6 | Very low | 101 Ų | 101 | 104.2 Ų | 104.2 | 66% | 0.656 | 59% | 0.594 | S | S | * | * | trans | -58.9 | 103.3 | -167.6 | 19.7 | -30.2 | 0 | 0 | 0 | 104.3 | A63 F67 | A63-P65 VanDerWaalsContact C-N 3.28Å; A63-P65 WeakPolarHBondContact O-CD 3.46Å; P65-F67 VanDerWaalsContact C-N 3.32Å; P65-F67 WeakPolarHBondContact O-CA 2.98Å; P65-F67 PolarHBondContact O-N 3.31Å | ||
| 66 | N | 56.5 | Low | 50 | Low | 83 Ų | 83 | 102.4 Ų | 102.4 | 44% | 0.444 | 59% | 0.585 | S | S | . | * | trans | -28.3 | 92.8 | -152 | -174.5 | -16.4 | 0 | 0 | 0 | 110.5 | E64 Y68 D69 S70 | E64-N66 WeakPolarHBondContact O-CA 3.39Å; E64-N66 PolarHBondContact O-N 3.45Å; N66-Y68 PolarHBondContact O-N 2.91Å; N66-Y68 VanDerWaalsContact O-N 3.14Å; N66-D69 HydrophobicContact CB-CB 3.74Å; N66-D69 VanDerWaalsContact CG-OD2 3.27Å; N66-D69 PolarHBondContact ND2-OD2 2.84Å; N66-D69 CarbonylContact O-C 3.56Å; N66-D69 WeakPolarHBondContact O-CA 2.8Å; N66-D69 WeakPolarHBondContact O-CB 3.26Å; N66-D69 PolarHBondContact O-N 3.28Å; N66-D69 PolarHBondContact OD1-N 3.4Å; N66-D69 VanDerWaalsContact OD1-N 3.07Å; N66-S70 PolarHBondContact O-N 3.43Å | ||
| 67 | F | 50.7 | Low | 50.3 | Low | 115 Ų | 115 | 105.4 Ų | 105.4 | 50% | 0.504 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62.2 | -29.9 | -168.3 | -139.7 | -86.8 | 0 | 0 | 0 | 109.1 | E64 P65 S70 L71 | E64-F67 HydrophobicContact CG-CB 4.4Å; E64-F67 HydrophobicContact CG-CD2 4.4Å; E64-F67 VanDerWaalsContact OE1-CB 3.28Å; E64-F67 WeakPolarHBondContact OE1-CB 3.18Å; P65-F67 VanDerWaalsContact C-N 3.32Å; P65-F67 WeakPolarHBondContact O-CA 2.98Å; P65-F67 PolarHBondContact O-N 3.31Å; F67-S70 PolarHBondContact O-N 3.48Å; F67-S70 PolarHBondContact O-OG 3.32Å; F67-L71 HydrophobicContact CD1-CD1 3.99Å; F67-L71 HydrophobicContact CD1-CG 4.24Å; F67-L71 WeakPolarHBondContact O-CB 3.47Å; F67-L71 VanDerWaalsContact O-CG 3.27Å; F67-L71 WeakPolarHBondContact O-CG 3.31Å; F67-L71 PolarHBondContact O-N 3Å |
| 68 | Y | 49 | Very low | 50.6 | Low | 176 Ų | 176 | 106.7 Ų | 106.7 | 69% | 0.69 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -64.8 | -44.1 | 168.2 | -96.6 | -92.4 | 0 | 0 | 0 | 113.8 | N66 S70 L71 Q72 | N66-Y68 PolarHBondContact O-N 2.91Å; N66-Y68 VanDerWaalsContact O-N 3.14Å; Y68-S70 VanDerWaalsContact C-N 3.3Å; Y68-S70 PolarHBondContact O-N 2.85Å; Y68-L71 PolarHBondContact O-N 3.35Å; Y68-Q72 WeakPolarHBondContact O-CB 3.27Å; Y68-Q72 WeakPolarHBondContact O-CG 3.43Å; Y68-Q72 PolarHBondContact O-N 2.87Å |
| 69 | D | 56.3 | Low | 51.3 | Low | 72 Ų | 72 | 107.8 Ų | 107.8 | 39% | 0.385 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.8 | -36.8 | 171.6 | -83.7 | -17.6 | 0 | 0 | 0 | 111.7 | N66 K73 | N66-D69 HydrophobicContact CB-CB 3.74Å; N66-D69 VanDerWaalsContact CG-OD2 3.27Å; N66-D69 PolarHBondContact ND2-OD2 2.84Å; N66-D69 CarbonylContact O-C 3.56Å; N66-D69 WeakPolarHBondContact O-CA 2.8Å; N66-D69 WeakPolarHBondContact O-CB 3.26Å; N66-D69 PolarHBondContact O-N 3.28Å; N66-D69 PolarHBondContact OD1-N 3.4Å; N66-D69 VanDerWaalsContact OD1-N 3.07Å; D69-K73 WeakPolarHBondContact O-CB 3.33Å; D69-K73 WeakPolarHBondContact O-CG 3.21Å; D69-K73 PolarHBondContact O-N 2.82Å |
| 70 | S | 57.8 | Low | 51.9 | Low | 50 Ų | 50 | 107.6 Ų | 107.6 | 35% | 0.35 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -68.7 | -43.5 | 177.9 | 80.8 | 0 | 0 | 0 | 0 | 110.9 | N66 F67 Y68 K73 V74 | N66-S70 PolarHBondContact O-N 3.43Å; F67-S70 PolarHBondContact O-N 3.48Å; F67-S70 PolarHBondContact O-OG 3.32Å; Y68-S70 VanDerWaalsContact C-N 3.3Å; Y68-S70 PolarHBondContact O-N 2.85Å; S70-K73 PolarHBondContact O-N 3.26Å; S70-V74 WeakPolarHBondContact O-CB 3.28Å; S70-V74 WeakPolarHBondContact O-CG2 3.24Å; S70-V74 PolarHBondContact O-N 2.83Å |
| 71 | L | 55 | Low | 52.5 | Low | 74 Ų | 74 | 111.5 Ų | 111.5 | 39% | 0.387 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.7 | -39.1 | 175.7 | -75.7 | 170.8 | 0 | 0 | 0 | 112.2 | F67 Y68 V74 R75 | F67-L71 HydrophobicContact CD1-CD1 3.99Å; F67-L71 HydrophobicContact CD1-CG 4.24Å; F67-L71 WeakPolarHBondContact O-CB 3.47Å; F67-L71 VanDerWaalsContact O-CG 3.27Å; F67-L71 WeakPolarHBondContact O-CG 3.31Å; F67-L71 PolarHBondContact O-N 3Å; Y68-L71 PolarHBondContact O-N 3.35Å; L71-V74 PolarHBondContact O-N 3.12Å; L71-R75 WeakPolarHBondContact O-CB 3.48Å; L71-R75 WeakPolarHBondContact O-CG 3.43Å; L71-R75 PolarHBondContact O-N 3.49Å |
| 72 | Q | 56.6 | Low | 53.4 | Low | 117 Ų | 117 | 114.1 Ų | 114.1 | 55% | 0.547 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.4 | -41.2 | 173.7 | -76.4 | -179.1 | -26.2 | 0 | 0 | 110.9 | Y68 L76 | Y68-Q72 WeakPolarHBondContact O-CB 3.27Å; Y68-Q72 WeakPolarHBondContact O-CG 3.43Å; Y68-Q72 PolarHBondContact O-N 2.87Å; Q72-L76 WeakPolarHBondContact O-CB 2.9Å; Q72-L76 PolarHBondContact O-N 3.42Å |
| 73 | K | 55.9 | Low | 54.1 | Low | 128 Ų | 128 | 118.7 Ų | 118.7 | 56% | 0.557 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.2 | -36.8 | 172.4 | -80.7 | 173.4 | 178.3 | 168.2 | 0 | 112.3 | D69 S70 R77 | D69-K73 WeakPolarHBondContact O-CB 3.33Å; D69-K73 WeakPolarHBondContact O-CG 3.21Å; D69-K73 PolarHBondContact O-N 2.82Å; S70-K73 PolarHBondContact O-N 3.26Å; K73-R77 WeakPolarHBondContact O-CB 3.44Å; K73-R77 VanDerWaalsContact O-CG 3.29Å; K73-R77 WeakPolarHBondContact O-CG 3.5Å; K73-R77 PolarHBondContact O-N 2.8Å |
| 74 | V | 55.6 | Low | 54.9 | Low | 85 Ų | 85 | 117.3 Ų | 117.3 | 52% | 0.515 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -69 | -46.7 | 177 | 169.5 | 0 | 0 | 0 | 0 | 110.3 | S70 L71 Q78 | S70-V74 WeakPolarHBondContact O-CB 3.28Å; S70-V74 WeakPolarHBondContact O-CG2 3.24Å; S70-V74 PolarHBondContact O-N 2.83Å; L71-V74 PolarHBondContact O-N 3.12Å; V74-Q78 WeakPolarHBondContact O-CB 3.44Å; V74-Q78 PolarHBondContact O-N 2.97Å |
| 75 | R | 56.8 | Low | 55.5 | Low | 180 Ų | 180 | 116 Ų | 116 | 68% | 0.679 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.1 | -40.1 | 176.8 | -70.6 | -178.9 | 179.8 | 174.6 | 1.5 | 112.7 | L71 Q78 Q79 | L71-R75 WeakPolarHBondContact O-CB 3.48Å; L71-R75 WeakPolarHBondContact O-CG 3.43Å; L71-R75 PolarHBondContact O-N 3.49Å; R75-Q78 PolarHBondContact O-N 3.5Å; R75-Q79 WeakPolarHBondContact O-CB 3.48Å; R75-Q79 PolarHBondContact O-N 3.29Å |
| 76 | L | 56.5 | Low | 55.7 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 52% | 0.524 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -70.7 | -40.7 | 178.4 | -175.3 | 64.6 | 0 | 0 | 0 | 111.8 | Q72 Q79 L80 | Q72-L76 WeakPolarHBondContact O-CB 2.9Å; Q72-L76 PolarHBondContact O-N 3.42Å; L76-Q79 PolarHBondContact O-N 3.47Å; L76-L80 HydrophobicContact CD1-CD1 4.39Å; L76-L80 HydrophobicContact CG-CD1 4.18Å; L76-L80 WeakPolarHBondContact O-CB 3.18Å; L76-L80 PolarHBondContact O-N 2.98Å |
| 77 | R | 56.3 | Low | 55.6 | Low | 173 Ų | 173 | 119.5 Ų | 119.5 | 65% | 0.653 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.1 | -40.2 | 172.7 | -80.8 | -164.3 | 175.7 | 153.3 | -0.9 | 111.8 | K73 Q79 L80 E81 | K73-R77 WeakPolarHBondContact O-CB 3.44Å; K73-R77 VanDerWaalsContact O-CG 3.29Å; K73-R77 WeakPolarHBondContact O-CG 3.5Å; K73-R77 PolarHBondContact O-N 2.8Å; R77-Q79 VanDerWaalsContact C-N 3.33Å; R77-Q79 PolarHBondContact O-N 3.06Å; R77-L80 PolarHBondContact O-N 3.33Å; R77-E81 VanDerWaalsContact O-CB 3.29Å; R77-E81 WeakPolarHBondContact O-CB 3.17Å; R77-E81 VanDerWaalsContact O-CG 3.31Å; R77-E81 WeakPolarHBondContact O-CG 3.48Å; R77-E81 PolarHBondContact O-N 3.07Å |
| 78 | Q | 57.9 | Low | 55.8 | Low | 130 Ų | 130 | 120.4 Ų | 120.4 | 61% | 0.607 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -67 | -35.9 | 177.8 | -158.8 | 169.9 | 13.4 | 0 | 0 | 111.7 | V74 R75 M82 | V74-Q78 WeakPolarHBondContact O-CB 3.44Å; V74-Q78 PolarHBondContact O-N 2.97Å; R75-Q78 PolarHBondContact O-N 3.5Å; Q78-M82 WeakPolarHBondContact O-CB 3.45Å; Q78-M82 PolarHBondContact O-N 3.3Å |
| 79 | Q | 55.1 | Low | 56 | Low | 127 Ų | 127 | 118 Ų | 118 | 59% | 0.593 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.7 | -40.4 | 170.5 | -82.9 | -178.4 | -20.7 | 0 | 0 | 112.9 | R75 L76 R77 M82 Y83 | R75-Q79 WeakPolarHBondContact O-CB 3.48Å; R75-Q79 PolarHBondContact O-N 3.29Å; L76-Q79 PolarHBondContact O-N 3.47Å; R77-Q79 VanDerWaalsContact C-N 3.33Å; R77-Q79 PolarHBondContact O-N 3.06Å; Q79-M82 PolarHBondContact O-N 3.41Å; Q79-Y83 WeakPolarHBondContact O-CB 3.38Å; Q79-Y83 WeakPolarHBondContact O-CD2 3.4Å; Q79-Y83 PolarHBondContact O-N 2.96Å |
| 80 | L | 56.2 | Low | 55.9 | Low | 108 Ų | 108 | 118.7 Ų | 118.7 | 57% | 0.565 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -70.1 | -36.1 | 176 | -97.2 | 148.8 | 0 | 0 | 0 | 112.9 | L76 R77 Y83 S84 | L76-L80 HydrophobicContact CD1-CD1 4.39Å; L76-L80 HydrophobicContact CG-CD1 4.18Å; L76-L80 WeakPolarHBondContact O-CB 3.18Å; L76-L80 PolarHBondContact O-N 2.98Å; R77-L80 PolarHBondContact O-N 3.33Å; L80-Y83 PolarHBondContact O-N 2.85Å; L80-S84 VanDerWaalsContact O-CB 3.28Å; L80-S84 WeakPolarHBondContact O-CB 3.31Å; L80-S84 PolarHBondContact O-N 3.23Å; L80-S84 PolarHBondContact O-OG 2.67Å |
| 81 | E | 55.9 | Low | 55.7 | Low | 125 Ų | 125 | 123.2 Ų | 123.2 | 58% | 0.584 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -66 | -41.1 | 171.3 | -76.6 | 178.4 | -172.3 | 0 | 0 | 110.1 | R77 S84 L85 | R77-E81 VanDerWaalsContact O-CB 3.29Å; R77-E81 WeakPolarHBondContact O-CB 3.17Å; R77-E81 VanDerWaalsContact O-CG 3.31Å; R77-E81 WeakPolarHBondContact O-CG 3.48Å; R77-E81 PolarHBondContact O-N 3.07Å; E81-S84 WeakPolarHBondContact CA-OG 3.47Å; E81-S84 PolarHBondContact O-N 2.82Å; E81-S84 PolarHBondContact O-OG 3.34Å; E81-L85 WeakPolarHBondContact O-CA 3.27Å; E81-L85 WeakPolarHBondContact O-CB 3.47Å; E81-L85 PolarHBondContact O-N 3.42Å |
| 82 | M | 57.4 | Low | 55.6 | Low | 145 Ų | 145 | 125.9 Ų | 125.9 | 71% | 0.714 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.7 | -39.5 | 174.7 | -153.1 | -163.7 | -169.6 | 0 | 0 | 112.3 | Q78 Q79 A86 | Q78-M82 WeakPolarHBondContact O-CB 3.45Å; Q78-M82 PolarHBondContact O-N 3.3Å; Q79-M82 PolarHBondContact O-N 3.41Å; M82-A86 WeakPolarHBondContact O-CB 3.46Å; M82-A86 PolarHBondContact O-N 3.4Å |
| 83 | Y | 55.1 | Low | 55.4 | Low | 189 Ų | 189 | 126 Ų | 126 | 74% | 0.741 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -67.9 | -39.1 | 175.6 | -100.5 | -85.9 | 0 | 0 | 0 | 112.7 | Q79 L80 R87 | Q79-Y83 WeakPolarHBondContact O-CB 3.38Å; Q79-Y83 WeakPolarHBondContact O-CD2 3.4Å; Q79-Y83 PolarHBondContact O-N 2.96Å; L80-Y83 PolarHBondContact O-N 2.85Å; Y83-R87 WeakPolarHBondContact O-CB 3.3Å; Y83-R87 PolarHBondContact O-N 3.3Å |
| 84 | S | 57.8 | Low | 55 | Low | 63 Ų | 63 | 125.6 Ų | 125.6 | 44% | 0.441 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -74.9 | -35.7 | 176.9 | 60.8 | 0 | 0 | 0 | 0 | 112.4 | L80 E81 R87 K88 | L80-S84 VanDerWaalsContact O-CB 3.28Å; L80-S84 WeakPolarHBondContact O-CB 3.31Å; L80-S84 PolarHBondContact O-N 3.23Å; L80-S84 PolarHBondContact O-OG 2.67Å; E81-S84 WeakPolarHBondContact CA-OG 3.47Å; E81-S84 PolarHBondContact O-N 2.82Å; E81-S84 PolarHBondContact O-OG 3.34Å; S84-R87 PolarHBondContact O-N 2.85Å; S84-K88 WeakPolarHBondContact O-CB 3.23Å; S84-K88 WeakPolarHBondContact O-CG 3.42Å; S84-K88 PolarHBondContact O-N 2.97Å |
| 85 | L | 54.8 | Low | 54.5 | Low | 94 Ų | 94 | 128 Ų | 128 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.7 | -43.4 | 172.8 | -168.6 | 64.9 | 0 | 0 | 0 | 110.5 | E81 R87 K88 F89 | E81-L85 WeakPolarHBondContact O-CA 3.27Å; E81-L85 WeakPolarHBondContact O-CB 3.47Å; E81-L85 PolarHBondContact O-N 3.42Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.21Å; L85-K88 PolarHBondContact O-N 2.83Å; L85-K88 VanDerWaalsContact O-N 3.16Å; L85-F89 HydrophobicContact CD1-CD2 4.06Å; L85-F89 HydrophobicContact CD1-CE2 3.72Å; L85-F89 HydrophobicContact CD2-CE2 4.13Å; L85-F89 HydrophobicContact CG-CD2 3.78Å; L85-F89 HydrophobicContact CG-CE2 3.65Å; L85-F89 VanDerWaalsContact O-CD2 3.27Å; L85-F89 WeakPolarHBondContact O-CD2 3.31Å; L85-F89 PolarHBondContact O-N 3.49Å |
| 86 | A | 56.1 | Low | 54 | Low | 55 Ų | 55 | 121.6 Ų | 121.6 | 46% | 0.455 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.2 | -41.3 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | M82 F89 D90 | M82-A86 WeakPolarHBondContact O-CB 3.46Å; M82-A86 PolarHBondContact O-N 3.4Å; A86-F89 PolarHBondContact O-N 2.98Å; A86-D90 WeakPolarHBondContact O-CB 3.46Å; A86-D90 PolarHBondContact O-N 2.82Å |
| 87 | R | 54 | Low | 53.4 | Low | 204 Ų | 204 | 122.1 Ų | 122.1 | 77% | 0.77 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.5 | -34.6 | 175.9 | -139 | -173.1 | -157.5 | 165.3 | 5.7 | 113 | Y83 S84 L85 Q91 | Y83-R87 WeakPolarHBondContact O-CB 3.3Å; Y83-R87 PolarHBondContact O-N 3.3Å; S84-R87 PolarHBondContact O-N 2.85Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-R87 PolarHBondContact O-N 3.21Å; R87-Q91 WeakPolarHBondContact O-CB 3.07Å; R87-Q91 PolarHBondContact O-N 3.21Å |
| 88 | K | 54.9 | Low | 52.8 | Low | 134 Ų | 134 | 116.8 Ų | 116.8 | 58% | 0.583 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -70.3 | -38.4 | 173.8 | -77.4 | -175.6 | 175.7 | -167.3 | 0 | 112.1 | S84 L85 Q91 Q92 | S84-K88 WeakPolarHBondContact O-CB 3.23Å; S84-K88 WeakPolarHBondContact O-CG 3.42Å; S84-K88 PolarHBondContact O-N 2.97Å; L85-K88 PolarHBondContact O-N 2.83Å; L85-K88 VanDerWaalsContact O-N 3.16Å; K88-Q91 PolarHBondContact O-N 3.45Å; K88-Q92 PolarHBondContact O-N 2.86Å |
| 89 | F | 54.8 | Low | 52.2 | Low | 124 Ų | 124 | 117.8 Ų | 117.8 | 54% | 0.544 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.9 | -40.1 | 172.2 | -87.7 | -74.1 | 0 | 0 | 0 | 111.6 | L85 A86 Q91 Q92 Q93 | L85-F89 HydrophobicContact CD1-CD2 4.06Å; L85-F89 HydrophobicContact CD1-CE2 3.72Å; L85-F89 HydrophobicContact CD2-CE2 4.13Å; L85-F89 HydrophobicContact CG-CD2 3.78Å; L85-F89 HydrophobicContact CG-CE2 3.65Å; L85-F89 VanDerWaalsContact O-CD2 3.27Å; L85-F89 WeakPolarHBondContact O-CD2 3.31Å; L85-F89 PolarHBondContact O-N 3.49Å; A86-F89 PolarHBondContact O-N 2.98Å; F89-Q91 VanDerWaalsContact C-N 3.32Å; F89-Q91 PolarHBondContact O-N 2.92Å; F89-Q92 PolarHBondContact O-N 3.45Å; F89-Q93 VanDerWaalsContact O-CB 3.27Å; F89-Q93 WeakPolarHBondContact O-CB 3.46Å; F89-Q93 PolarHBondContact O-N 3.36Å |
| 90 | D | 54 | Low | 51.7 | Low | 88 Ų | 88 | 115.2 Ų | 115.2 | 47% | 0.471 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.8 | -37.4 | 174.5 | -159.4 | 53.9 | 0 | 0 | 0 | 111.4 | A86 Q93 H94 | A86-D90 WeakPolarHBondContact O-CB 3.46Å; A86-D90 PolarHBondContact O-N 2.82Å; D90-Q93 PolarHBondContact O-N 3.06Å; D90-H94 PolarHBondContact O-N 3.33Å; D90-H94 VanDerWaalsContact O-N 3.12Å; D90-H94 PolarHBondContact O-ND1 3.49Å; D90-H94 IonicContact OD1-CE1 3.81Å; D90-H94 IonicContact OD2-CE1 3.72Å; D90-H94 IonicContact OD2-ND1 3.97Å |
| 91 | Q | 53.1 | Low | 51.2 | Low | 144 Ų | 144 | 114.9 Ų | 114.9 | 67% | 0.673 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.1 | -37.7 | 174.9 | -158.2 | 173.9 | 33.5 | 0 | 0 | 112.8 | R87 K88 F89 Q95 | R87-Q91 WeakPolarHBondContact O-CB 3.07Å; R87-Q91 PolarHBondContact O-N 3.21Å; K88-Q91 PolarHBondContact O-N 3.45Å; F89-Q91 VanDerWaalsContact C-N 3.32Å; F89-Q91 PolarHBondContact O-N 2.92Å; Q91-Q95 PolarHBondContact O-N 3.5Å |
| 92 | Q | 52.5 | Low | 50.5 | Low | 131 Ų | 131 | 116.4 Ų | 116.4 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -71 | -32.5 | 172.4 | -86.2 | -176.9 | -86.2 | 0 | 0 | 112.7 | K88 F89 Q95 G96 | K88-Q92 PolarHBondContact O-N 2.86Å; F89-Q92 PolarHBondContact O-N 3.45Å; Q92-Q95 PolarHBondContact O-N 2.67Å; Q92-G96 PolarHBondContact O-N 3.18Å |
| 93 | Q | 51.9 | Low | 49.7 | Very low | 120 Ų | 120 | 116.7 Ų | 116.7 | 56% | 0.561 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -69.8 | -34.2 | 177.6 | -162 | 176.2 | -24.8 | 0 | 0 | 111.5 | F89 D90 Q97 | F89-Q93 VanDerWaalsContact O-CB 3.27Å; F89-Q93 WeakPolarHBondContact O-CB 3.46Å; F89-Q93 PolarHBondContact O-N 3.36Å; D90-Q93 PolarHBondContact O-N 3.06Å; Q93-Q97 PolarHBondContact O-N 2.96Å; Q93-Q97 VanDerWaalsContact O-N 3.07Å |
| 94 | H | 47.5 | Very low | 49.1 | Very low | 118 Ų | 118 | 112.4 Ų | 112.4 | 55% | 0.546 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71.3 | -28.8 | 172.2 | -74.5 | 98.3 | 0 | 0 | 0 | 113.6 | D90 S98 | D90-H94 PolarHBondContact O-N 3.33Å; D90-H94 VanDerWaalsContact O-N 3.12Å; D90-H94 PolarHBondContact O-ND1 3.49Å; D90-H94 IonicContact OD1-CE1 3.81Å; D90-H94 IonicContact OD2-CE1 3.72Å; D90-H94 IonicContact OD2-ND1 3.97Å; H94-S98 PolarHBondContact O-N 3.05Å; H94-S98 PolarHBondContact O-OG 3.35Å |
| 95 | Q | 46.8 | Very low | 48.5 | Very low | 137 Ų | 137 | 117.9 Ų | 117.9 | 64% | 0.64 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -80.2 | -32 | 175.7 | -153.4 | 167.1 | 18.5 | 0 | 0 | 112.4 | Q91 Q92 S98 | Q91-Q95 PolarHBondContact O-N 3.5Å; Q92-Q95 PolarHBondContact O-N 2.67Å; Q95-S98 WeakPolarHBondContact CA-OG 3.43Å; Q95-S98 PolarHBondContact O-OG 3.33Å |
| 96 | G | 45.6 | Very low | 47.8 | Very low | 44 Ų | 44 | 125.3 Ų | 125.3 | 45% | 0.454 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -74.9 | -31.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q92 S100 | Q92-G96 PolarHBondContact O-N 3.18Å; G96-S100 WeakPolarHBondContact O-CB 3.41Å; G96-S100 PolarHBondContact O-N 3.12Å; G96-S100 PolarHBondContact O-OG 2.77Å |
| 97 | Q | 44.4 | Very low | 47.4 | Very low | 112 Ų | 112 | 128.9 Ų | 128.9 | 52% | 0.523 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -78.2 | -25.7 | 175 | -84.1 | -168.1 | -3.1 | 0 | 0 | 113.9 | Q93 S100 V101 | Q93-Q97 PolarHBondContact O-N 2.96Å; Q93-Q97 VanDerWaalsContact O-N 3.07Å; Q97-S100 PolarHBondContact O-OG 3.41Å; Q97-V101 VanDerWaalsContact O-CG2 3.25Å; Q97-V101 WeakPolarHBondContact O-CG2 3.28Å; Q97-V101 PolarHBondContact O-N 3.45Å |
| 98 | S | 43 | Very low | 47.1 | Very low | 61 Ų | 61 | 124.9 Ų | 124.9 | 43% | 0.427 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -74.4 | -26.9 | 177.2 | 37.2 | 0 | 0 | 0 | 0 | 112.8 | H94 Q95 | H94-S98 PolarHBondContact O-N 3.05Å; H94-S98 PolarHBondContact O-OG 3.35Å; Q95-S98 WeakPolarHBondContact CA-OG 3.43Å; Q95-S98 PolarHBondContact O-OG 3.33Å |
| 99 | E | 44.5 | Very low | 46.6 | Very low | 151 Ų | 151 | 124.4 Ų | 124.4 | 71% | 0.706 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -84.3 | -31.8 | 171.3 | -67.9 | -166.3 | 159.6 | 0 | 0 | 113 | ||
| 100 | S | 45.7 | Very low | 46.1 | Very low | 72 Ų | 72 | 124.4 Ų | 124.4 | 50% | 0.503 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -77.6 | -23.2 | -179.4 | 73.9 | 0 | 0 | 0 | 0 | 114.4 | G96 Q97 | G96-S100 WeakPolarHBondContact O-CB 3.41Å; G96-S100 PolarHBondContact O-N 3.12Å; G96-S100 PolarHBondContact O-OG 2.77Å; Q97-S100 PolarHBondContact O-OG 3.41Å |
| 101 | V | 45.2 | Very low | 45.7 | Very low | 101 Ų | 101 | 126.7 Ų | 126.7 | 61% | 0.612 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -82.9 | -24.4 | 178.5 | 175.2 | 0 | 0 | 0 | 0 | 112.1 | Q97 | Q97-V101 VanDerWaalsContact O-CG2 3.25Å; Q97-V101 WeakPolarHBondContact O-CG2 3.28Å; Q97-V101 PolarHBondContact O-N 3.45Å |
| 102 | Q | 41.7 | Very low | 45.2 | Very low | 157 Ų | 157 | 125.5 Ų | 125.5 | 73% | 0.734 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79 | -23.7 | 176.2 | -76.4 | -174.3 | 57.5 | 0 | 0 | 113.6 | S104 | Q102-S104 VanDerWaalsContact C-N 3.32Å; Q102-S104 PolarHBondContact O-N 3.18Å |
| 103 | L | 41.4 | Very low | 44.6 | Very low | 151 Ų | 151 | 125.1 Ų | 125.1 | 79% | 0.791 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | 2.7 | 179.6 | -120.9 | 99.1 | 0 | 0 | 0 | 114.9 | ||
| 104 | S | 41.1 | Very low | 44.1 | Very low | 99 Ų | 99 | 125.5 Ų | 125.5 | 69% | 0.692 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | 8.4 | -178.2 | -169.3 | 0 | 0 | 0 | 0 | 113.8 | Q102 | Q102-S104 VanDerWaalsContact C-N 3.32Å; Q102-S104 PolarHBondContact O-N 3.18Å |
| 105 | M | 46.6 | Very low | 43.8 | Very low | 178 Ų | 178 | 126.2 Ų | 126.2 | 88% | 0.877 | 68% | 0.678 | S | S | * | * | trans | -120.3 | 38.9 | 175.8 | -75 | -151.3 | 176.5 | 0 | 0 | 113.1 | ||||
| 106 | E | 39.6 | Very low | 43.5 | Very low | 251 Ų | 251 | 125.2 Ų | 125.2 | 100% | 1.173 | 68% | 0.681 | S | S | * | * | trans | -122.7 | 0 | 162.3 | -75.6 | -175.8 | 97.8 | 0 | 0 | 110.7 |
Retrieved 106 of 106 residues in 42.2 ms
(Link to these results)