| 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 | 35.3 | Very low | 38.1 | Very low | 240 Ų | 240 | 153.7 Ų | 153.7 | 100% | 1.182 | 83% | 0.834 | S | S | * | * | 0 | 100.6 | 0 | -74 | -168.9 | 151.4 | 0 | 0 | 105.9 | |||||
| 2 | T | 35.7 | Very low | 37.3 | Very low | 136 Ų | 136 | 152.6 Ų | 152.6 | 83% | 0.834 | 83% | 0.827 | S | S | * | * | cis | -149.6 | 144.1 | 15.9 | 26.2 | 0 | 0 | 0 | 0 | 108 | ||||
| 3 | D | 39.2 | Very low | 37.9 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 76% | 0.759 | 82% | 0.82 | S | S | * | * | trans | -57.8 | 160.5 | 172.1 | -51.8 | -57.5 | 0 | 0 | 0 | 110.8 | ||||
| 4 | D | 37.7 | Very low | 37.7 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | -156.1 | 156 | 58.8 | -83.2 | -45.1 | 0 | 0 | 0 | 113.7 | |||||
| 5 | E | 47.8 | Very low | 37.6 | Very low | 178 Ų | 178 | 150.4 Ų | 150.4 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | -67.2 | 161.4 | 178.5 | -59.7 | 171.1 | 146.6 | 0 | 0 | 114.2 | ||||
| 6 | I | 39.5 | Very low | 38 | Very low | 174 Ų | 174 | 146.2 Ų | 146.2 | 89% | 0.892 | 81% | 0.813 | S | S | * | * | -166.9 | 125.1 | 121.1 | -88.2 | 151.5 | 0 | 0 | 0 | 109.1 | |||||
| 7 | E | 40.1 | Very low | 37.9 | Very low | 184 Ų | 184 | 142.6 Ų | 142.6 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -66.3 | 155.8 | 170.3 | -140.5 | 173.8 | -167.3 | 0 | 0 | 112.1 | ||||
| 8 | S | 32.5 | Very low | 38.7 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 72% | 0.72 | 80% | 0.802 | S | S | * | * | trans | 154.1 | 110.8 | 136.2 | 174.5 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 9 | V | 33.9 | Very low | 39.4 | Very low | 119 Ų | 119 | 145.4 Ų | 145.4 | 72% | 0.721 | 80% | 0.799 | S | S | * | * | 68.6 | 116.7 | 125.8 | -173.4 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 10 | L | 36.5 | Very low | 40.4 | Very low | 150 Ų | 150 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 24.4 | 134 | 132.9 | -72.1 | 146 | 0 | 0 | 0 | 121.8 | ||||
| 11 | S | 40.5 | Very low | 41.4 | Very low | 104 Ų | 104 | 143.6 Ų | 143.6 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | trans | 65.3 | 113.2 | 138.5 | -59.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 12 | D | 29.2 | Very low | 43.5 | Very low | 140 Ų | 140 | 135.6 Ų | 135.6 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | -155.2 | 138.3 | 107.3 | -140.7 | -12.6 | 0 | 0 | 0 | 113.1 | H14 | D12-H14 PolarHBondContact O-N 3.44Š| |||
| 13 | S | 45.5 | Very low | 45.4 | Very low | 105 Ų | 105 | 134.5 Ų | 134.5 | 73% | 0.734 | 74% | 0.74 | S | S | * | * | trans | -71.5 | 111.2 | 167.8 | 34.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 14 | H | 34.6 | Very low | 47.3 | Very low | 156 Ų | 156 | 134.7 Ų | 134.7 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | trans | -116.1 | 104.7 | 156.4 | -105.6 | -68.2 | 0 | 0 | 0 | 109.5 | D12 | D12-H14 PolarHBondContact O-N 3.44Š| ||
| 15 | E | 35.5 | Very low | 49.2 | Very low | 164 Ų | 164 | 132 Ų | 132 | 77% | 0.766 | 72% | 0.722 | S | S | * | * | 42.9 | 129.2 | 128.5 | -66.2 | 174.2 | 149.4 | 0 | 0 | 118.8 | S17 | E15-S17 PolarHBondContact O-N 3.48Š| |||
| 16 | G | 45.1 | Very low | 50.8 | Low | 83 Ų | 83 | 127.6 Ų | 127.6 | 86% | 0.856 | 70% | 0.703 | S | S | * | * | trans | -50.4 | 119.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | E18 | G16-E18 PolarHBondContact O-N 2.91Š| ||
| 17 | S | 36.5 | Very low | 52.8 | Low | 85 Ų | 85 | 122.4 Ų | 122.4 | 59% | 0.594 | 68% | 0.682 | S | S | * | * | trans | -83 | 95.2 | 141 | 59.9 | 0 | 0 | 0 | 0 | 106.4 | E15 Q19 | E15-S17 PolarHBondContact O-N 3.48Å; S17-Q19 PolarHBondContact O-N 3.46Å | ||
| 18 | E | 51.8 | Low | 54.9 | Low | 178 Ų | 178 | 115.3 Ų | 115.3 | 83% | 0.832 | 66% | 0.658 | S | S | * | * | trans | -55 | 91.4 | 145.9 | -77.5 | -177.3 | 161.8 | 0 | 0 | 105.4 | G16 E20 | G16-E18 PolarHBondContact O-N 2.91Å; E18-E20 PolarHBondContact O-N 3.17Å | ||
| 19 | Q | 51.9 | Low | 57.4 | Low | 161 Ų | 161 | 114.1 Ų | 114.1 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | trans | -67.3 | 90.5 | 162.2 | -94.4 | 143.1 | -8.1 | 0 | 0 | 104.7 | S17 L21 | S17-Q19 PolarHBondContact O-N 3.46Å; Q19-L21 PolarHBondContact O-N 3.48Å | ||
| 20 | E | 59.7 | Low | 60 | Low | 171 Ų | 171 | 113.1 Ų | 113.1 | 80% | 0.799 | 64% | 0.637 | S | S | * | * | trans | -52.8 | 97 | 165.3 | -74.9 | -174.6 | 160.5 | 0 | 0 | 106.5 | E18 P22 | E18-E20 PolarHBondContact O-N 3.17Å; E20-P22 WeakPolarHBondContact O-CD 3.48Å | ||
| 21 | L | 62 | Low | 62.3 | Low | 81 Ų | 81 | 112.4 Ų | 112.4 | 42% | 0.424 | 63% | 0.63 | S | S | . | * | trans | -54.4 | 126.4 | 171.9 | -74.3 | 162 | 0 | 0 | 0 | 105.7 | Q19 V23 Q25 L26 | Q19-L21 PolarHBondContact O-N 3.48Å; L21-V23 PolarHBondContact O-N 3.36Å; L21-Q25 HydrophobicContact CB-CB 4.1Å; L21-Q25 HydrophobicContact CD2-CB 4.39Å; L21-L26 HydrophobicContact CB-CD2 4.37Å; L21-L26 HydrophobicContact CB-CG 4.03Å; L21-L26 WeakPolarHBondContact O-CD1 3.06Å | ||
| 22 | P | 77.9 | Confident | 64.5 | Low | 72 Ų | 72 | 113.3 Ų | 113.3 | 47% | 0.468 | 62% | 0.622 | S | S | . | * | trans | -44.7 | 140.2 | 176.1 | -29.1 | 31.9 | 0 | 0 | 0 | 110.2 | E20 I24 Q25 L26 | E20-P22 WeakPolarHBondContact O-CD 3.48Å; P22-I24 CarbonylContact O-C 3.56Å; P22-I24 PolarHBondContact O-N 3Å; P22-Q25 HydrophobicContact CB-CG 4.46Å; P22-Q25 WeakPolarHBondContact O-CA 3.38Å; P22-Q25 WeakPolarHBondContact O-CB 3.37Å; P22-Q25 PolarHBondContact O-N 2.78Å; P22-L26 PolarHBondContact O-N 3.43Å | ||
| 23 | V | 76.3 | Confident | 67.3 | Low | 113 Ų | 113 | 111 Ų | 111 | 69% | 0.685 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -46.2 | -34.6 | -174.8 | 175.9 | 0 | 0 | 0 | 0 | 112.9 | L21 Q25 L26 C27 | L21-V23 PolarHBondContact O-N 3.36Å; V23-Q25 PolarHBondContact O-N 3.25Å; V23-L26 PolarHBondContact O-N 2.86Å; V23-C27 PolarHBondContact O-N 2.8Å; V23-C27 PolarHBondContact O-SG 3.3Å |
| 24 | I | 78.1 | Confident | 69.4 | Low | 147 Ų | 147 | 109.4 Ų | 109.4 | 75% | 0.754 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.2 | -41.8 | 175.7 | -57.8 | 171.5 | 0 | 0 | 0 | 112.4 | P22 G28 | P22-I24 CarbonylContact O-C 3.56Å; P22-I24 PolarHBondContact O-N 3Å; I24-G28 PolarHBondContact O-N 3.38Å |
| 25 | Q | 79.3 | Confident | 72 | Confident | 105 Ų | 105 | 110.5 Ų | 110.5 | 49% | 0.491 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -71.4 | -35.8 | 176.9 | -63.3 | -179.3 | 9.8 | 0 | 0 | 111.7 | L21 P22 V23 G28 L29 | L21-Q25 HydrophobicContact CB-CB 4.1Å; L21-Q25 HydrophobicContact CD2-CB 4.39Å; P22-Q25 HydrophobicContact CB-CG 4.46Å; P22-Q25 WeakPolarHBondContact O-CA 3.38Å; P22-Q25 WeakPolarHBondContact O-CB 3.37Å; P22-Q25 PolarHBondContact O-N 2.78Å; V23-Q25 PolarHBondContact O-N 3.25Å; Q25-G28 PolarHBondContact O-N 2.9Å; Q25-L29 PolarHBondContact O-N 2.91Å |
| 26 | L | 81.1 | Confident | 74.4 | Confident | 84 Ų | 84 | 105.9 Ų | 105.9 | 44% | 0.44 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.1 | -42 | 172.2 | -75.7 | 167.2 | 0 | 0 | 0 | 112 | L21 P22 V23 L29 V30 | L21-L26 HydrophobicContact CB-CD2 4.37Å; L21-L26 HydrophobicContact CB-CG 4.03Å; L21-L26 WeakPolarHBondContact O-CD1 3.06Å; P22-L26 PolarHBondContact O-N 3.43Å; V23-L26 PolarHBondContact O-N 2.86Å; L26-L29 PolarHBondContact O-N 3Å; L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 2.86Å |
| 27 | C | 81.8 | Confident | 76.4 | Confident | 66 Ų | 66 | 106 Ų | 106 | 45% | 0.446 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -59.7 | -45.5 | 173.5 | -71.8 | 0 | 0 | 0 | 0 | 111.5 | V23 L29 V30 E31 | V23-C27 PolarHBondContact O-N 2.8Å; V23-C27 PolarHBondContact O-SG 3.3Å; C27-L29 VanDerWaalsContact C-N 3.34Å; C27-L29 PolarHBondContact O-N 2.86Å; C27-V30 PolarHBondContact O-N 3.27Å; C27-E31 WeakPolarHBondContact O-CG 3.19Å; C27-E31 PolarHBondContact O-N 2.87Å |
| 28 | G | 83.6 | Confident | 78.8 | Confident | 34 Ų | 34 | 105.2 Ų | 105.2 | 35% | 0.351 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -59.3 | -42.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | I24 Q25 E31 E32 | I24-G28 PolarHBondContact O-N 3.38Å; Q25-G28 PolarHBondContact O-N 2.9Å; G28-E31 PolarHBondContact O-N 3.49Å; G28-E32 WeakPolarHBondContact O-CB 3.44Å; G28-E32 PolarHBondContact O-N 2.7Å |
| 29 | L | 85.7 | Confident | 80.1 | Confident | 79 Ų | 79 | 98.8 Ų | 98.8 | 41% | 0.414 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.6 | -38.8 | 177.5 | -172.2 | 67.3 | 0 | 0 | 0 | 112.4 | Q25 L26 C27 E32 L33 | Q25-L29 PolarHBondContact O-N 2.91Å; L26-L29 PolarHBondContact O-N 3Å; C27-L29 VanDerWaalsContact C-N 3.34Å; C27-L29 PolarHBondContact O-N 2.86Å; L29-E32 PolarHBondContact O-N 3.24Å; L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 WeakPolarHBondContact O-CB 3.33Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.26Å; L29-L33 PolarHBondContact O-N 3.3Å |
| 30 | V | 87.7 | Confident | 81.6 | Confident | 97 Ų | 97 | 95.2 Ų | 95.2 | 59% | 0.588 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65.9 | -41.6 | 176.1 | 170.3 | 0 | 0 | 0 | 0 | 111 | L26 C27 S34 | L26-V30 WeakPolarHBondContact O-CG2 3.4Å; L26-V30 PolarHBondContact O-N 2.86Å; C27-V30 PolarHBondContact O-N 3.27Å; V30-S34 VanDerWaalsContact O-CB 3.28Å; V30-S34 WeakPolarHBondContact O-CB 3.32Å; V30-S34 PolarHBondContact O-N 2.96Å |
| 31 | E | 85.2 | Confident | 82.9 | Confident | 135 Ų | 135 | 96.1 Ų | 96.1 | 63% | 0.631 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -47.2 | 175.3 | -75.2 | 176.8 | -175.9 | 0 | 0 | 111.3 | C27 G28 S34 Y35 | C27-E31 WeakPolarHBondContact O-CG 3.19Å; C27-E31 PolarHBondContact O-N 2.87Å; G28-E31 PolarHBondContact O-N 3.49Å; E31-S34 PolarHBondContact O-N 3.44Å; E31-S34 PolarHBondContact O-OG 3.03Å; E31-Y35 PolarHBondContact O-N 3.04Å |
| 32 | E | 87.2 | Confident | 83.8 | Confident | 123 Ų | 123 | 95.9 Ų | 95.9 | 58% | 0.575 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61 | -47.4 | 177.5 | -169.7 | 176.5 | -171.4 | 0 | 0 | 111.7 | G28 L29 S34 Y35 V36 | G28-E32 WeakPolarHBondContact O-CB 3.44Å; G28-E32 PolarHBondContact O-N 2.7Å; L29-E32 PolarHBondContact O-N 3.24Å; E32-S34 VanDerWaalsContact C-N 3.31Å; E32-S34 PolarHBondContact O-N 3.48Å; E32-Y35 PolarHBondContact O-N 2.82Å; E32-V36 WeakPolarHBondContact O-CG2 3.21Å; E32-V36 PolarHBondContact O-N 2.9Å |
| 33 | L | 88.1 | Confident | 83.9 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -34.6 | 175.5 | -73.2 | 173.7 | 0 | 0 | 0 | 112.4 | L29 N37 | L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 WeakPolarHBondContact O-CB 3.33Å; L29-L33 VanDerWaalsContact O-CG 3.26Å; L29-L33 WeakPolarHBondContact O-CG 3.26Å; L29-L33 PolarHBondContact O-N 3.3Å; L33-N37 WeakPolarHBondContact O-CB 3.36Å; L33-N37 VanDerWaalsContact O-CG 3.26Å; L33-N37 PolarHBondContact O-N 2.96Å; L33-N37 PolarHBondContact O-ND2 2.97Å |
| 34 | S | 88.7 | Confident | 84.3 | Confident | 71 Ų | 71 | 92.7 Ų | 92.7 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.8 | -40.8 | 175.9 | 83.1 | 0 | 0 | 0 | 0 | 111.3 | V30 E31 E32 N37 S38 | V30-S34 VanDerWaalsContact O-CB 3.28Å; V30-S34 WeakPolarHBondContact O-CB 3.32Å; V30-S34 PolarHBondContact O-N 2.96Å; E31-S34 PolarHBondContact O-N 3.44Å; E31-S34 PolarHBondContact O-OG 3.03Å; E32-S34 VanDerWaalsContact C-N 3.31Å; E32-S34 PolarHBondContact O-N 3.48Å; S34-N37 PolarHBondContact O-N 2.93Å; S34-S38 WeakPolarHBondContact O-CB 3.43Å; S34-S38 PolarHBondContact O-N 2.75Å |
| 35 | Y | 88.3 | Confident | 84.5 | Confident | 178 Ų | 178 | 90.2 Ų | 90.2 | 70% | 0.698 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.5 | -47.7 | 177.8 | 179.9 | -98.1 | 0 | 0 | 0 | 110.9 | E31 E32 N37 S38 A39 | E31-Y35 PolarHBondContact O-N 3.04Å; E32-Y35 PolarHBondContact O-N 2.82Å; Y35-N37 VanDerWaalsContact C-N 3.35Å; Y35-N37 PolarHBondContact O-N 3.26Å; Y35-S38 WeakPolarHBondContact O-CB 3.28Å; Y35-S38 PolarHBondContact O-N 3.39Å; Y35-A39 PolarHBondContact O-N 3.23Å |
| 36 | V | 87.5 | Confident | 84.4 | Confident | 68 Ų | 68 | 87.6 Ų | 87.6 | 41% | 0.412 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -60.8 | -43.6 | 176.1 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | E32 S38 A39 L40 | E32-V36 WeakPolarHBondContact O-CG2 3.21Å; E32-V36 PolarHBondContact O-N 2.9Å; V36-S38 VanDerWaalsContact C-N 3.33Å; V36-S38 PolarHBondContact O-N 2.97Å; V36-A39 PolarHBondContact O-N 3.27Å; V36-L40 HydrophobicContact CG1-CD1 4.07Å; V36-L40 HydrophobicContact CG1-CG 4.48Å; V36-L40 WeakPolarHBondContact O-CB 3.39Å; V36-L40 WeakPolarHBondContact O-CG 3.34Å; V36-L40 PolarHBondContact O-N 3.26Å |
| 37 | N | 85.9 | Confident | 84.2 | Confident | 86 Ų | 86 | 86.6 Ų | 86.6 | 46% | 0.46 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 175.8 | -81.8 | -45.8 | 0 | 0 | 0 | 112.5 | L33 S34 Y35 R41 | L33-N37 WeakPolarHBondContact O-CB 3.36Å; L33-N37 VanDerWaalsContact O-CG 3.26Å; L33-N37 PolarHBondContact O-N 2.96Å; L33-N37 PolarHBondContact O-ND2 2.97Å; S34-N37 PolarHBondContact O-N 2.93Å; Y35-N37 VanDerWaalsContact C-N 3.35Å; Y35-N37 PolarHBondContact O-N 3.26Å; N37-R41 WeakPolarHBondContact O-CB 3.43Å; N37-R41 VanDerWaalsContact O-CG 3.29Å; N37-R41 WeakPolarHBondContact O-CG 3.48Å; N37-R41 PolarHBondContact O-N 3.43Å |
| 38 | S | 87.8 | Confident | 84.3 | Confident | 68 Ų | 68 | 89.7 Ų | 89.7 | 48% | 0.476 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 174.2 | -172.3 | 0 | 0 | 0 | 0 | 111.2 | S34 Y35 V36 R41 T42 | S34-S38 WeakPolarHBondContact O-CB 3.43Å; S34-S38 PolarHBondContact O-N 2.75Å; Y35-S38 WeakPolarHBondContact O-CB 3.28Å; Y35-S38 PolarHBondContact O-N 3.39Å; V36-S38 VanDerWaalsContact C-N 3.33Å; V36-S38 PolarHBondContact O-N 2.97Å; S38-R41 PolarHBondContact O-N 2.7Å; S38-T42 WeakPolarHBondContact O-CG2 3.36Å; S38-T42 PolarHBondContact O-N 3.19Å; S38-T42 PolarHBondContact O-OG1 2.85Å |
| 39 | A | 78.4 | Confident | 84 | Confident | 42 Ų | 42 | 92.7 Ų | 92.7 | 35% | 0.347 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y35 V36 R41 T42 E43 | Y35-A39 PolarHBondContact O-N 3.23Å; V36-A39 PolarHBondContact O-N 3.27Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.4Å; A39-T42 WeakPolarHBondContact CA-OG1 3.5Å; A39-T42 PolarHBondContact O-N 2.94Å; A39-T42 PolarHBondContact O-OG1 3.17Å; A39-E43 WeakPolarHBondContact O-CB 3.46Å; A39-E43 PolarHBondContact O-N 2.89Å |
| 40 | L | 84.6 | Confident | 83.4 | Confident | 87 Ų | 87 | 92.1 Ų | 92.1 | 46% | 0.455 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.7 | -38.5 | 175.7 | -72.7 | 172.6 | 0 | 0 | 0 | 112.5 | V36 E43 T44 | V36-L40 HydrophobicContact CG1-CD1 4.07Å; V36-L40 HydrophobicContact CG1-CG 4.48Å; V36-L40 WeakPolarHBondContact O-CB 3.39Å; V36-L40 WeakPolarHBondContact O-CG 3.34Å; V36-L40 PolarHBondContact O-N 3.26Å; L40-E43 PolarHBondContact O-N 2.88Å; L40-T44 WeakPolarHBondContact O-CB 3.29Å; L40-T44 PolarHBondContact O-N 3.46Å; L40-T44 PolarHBondContact O-OG1 2.65Å |
| 41 | R | 85.8 | Confident | 82.8 | Confident | 190 Ų | 190 | 94.6 Ų | 94.6 | 72% | 0.717 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.8 | -46 | 174 | -79.6 | 177.7 | -179.3 | 179.9 | 1.7 | 111.7 | N37 S38 A39 E43 T44 E45 | N37-R41 WeakPolarHBondContact O-CB 3.43Å; N37-R41 VanDerWaalsContact O-CG 3.29Å; N37-R41 WeakPolarHBondContact O-CG 3.48Å; N37-R41 PolarHBondContact O-N 3.43Å; S38-R41 PolarHBondContact O-N 2.7Å; A39-R41 VanDerWaalsContact C-N 3.34Å; A39-R41 PolarHBondContact O-N 3.4Å; R41-E43 VanDerWaalsContact C-N 3.3Å; R41-E43 PolarHBondContact O-N 3.45Å; R41-T44 PolarHBondContact O-N 2.93Å; R41-E45 PolarHBondContact O-N 3.43Å |
| 42 | T | 81.8 | Confident | 82.5 | Confident | 76 Ų | 76 | 91.2 Ų | 91.2 | 47% | 0.466 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.4 | -38 | 177.3 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | S38 A39 E45 M46 | S38-T42 WeakPolarHBondContact O-CG2 3.36Å; S38-T42 PolarHBondContact O-N 3.19Å; S38-T42 PolarHBondContact O-OG1 2.85Å; A39-T42 WeakPolarHBondContact CA-OG1 3.5Å; A39-T42 PolarHBondContact O-N 2.94Å; A39-T42 PolarHBondContact O-OG1 3.17Å; T42-E45 PolarHBondContact O-N 2.89Å; T42-M46 VanDerWaalsContact O-CG 3.27Å; T42-M46 WeakPolarHBondContact O-CG 3.43Å; T42-M46 PolarHBondContact O-N 3.46Å |
| 43 | E | 80.3 | Confident | 81.8 | Confident | 46 Ų | 46 | 90 Ų | 90 | 22% | 0.215 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -65.1 | -46 | 176.7 | -160.3 | -172.2 | 151.3 | 0 | 0 | 111.2 | A39 L40 R41 E45 M46 F47 K100 | A39-E43 WeakPolarHBondContact O-CB 3.46Å; A39-E43 PolarHBondContact O-N 2.89Å; L40-E43 PolarHBondContact O-N 2.88Å; R41-E43 VanDerWaalsContact C-N 3.3Å; R41-E43 PolarHBondContact O-N 3.45Å; E43-E45 VanDerWaalsContact C-N 3.34Å; E43-E45 PolarHBondContact O-N 3.35Å; E43-M46 PolarHBondContact O-N 3.29Å; E43-F47 HydrophobicContact CB-CE2 4.4Å; E43-F47 HydrophobicContact CG-CD2 4.17Å; E43-F47 HydrophobicContact CG-CE2 3.43Å; E43-F47 VanDerWaalsContact CG-CE2 3.43Å; E43-F47 HydrophobicContact CG-CZ 3.71Å; E43-F47 WeakPolarHBondContact O-CD2 3.46Å; E43-F47 WeakPolarHBondContact O-CG 3.18Å; E43-F47 PolarHBondContact O-N 2.91Å; E43-F47 WeakPolarHBondContact OE1-CE2 3.43Å; E43-F47 VanDerWaalsContact OE1-CZ 3.24Å; E43-F47 WeakPolarHBondContact OE1-CZ 3.49Å; E43-K100 WeakPolarHBondContact OE1-CD 3.46Å; E43-K100 WeakPolarHBondContact OE1-CE 3.43Å; E43-K100 IonicContact OE1-NZ 2.77Å; E43-K100 PolarHBondContact OE1-NZ 2.99Å; E43-K100 IonicContact OE2-NZ 2.68Å; E43-K100 PolarHBondContact OE2-NZ 2.81Å |
| 44 | T | 83.4 | Confident | 80.8 | Confident | 71 Ų | 71 | 90.1 Ų | 90.1 | 44% | 0.436 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 175.9 | -42.7 | 0 | 0 | 0 | 0 | 111.7 | L40 R41 M46 F47 E48 | L40-T44 WeakPolarHBondContact O-CB 3.29Å; L40-T44 PolarHBondContact O-N 3.46Å; L40-T44 PolarHBondContact O-OG1 2.65Å; R41-T44 PolarHBondContact O-N 2.93Å; T44-M46 VanDerWaalsContact C-N 3.35Å; T44-M46 PolarHBondContact O-N 3.12Å; T44-F47 PolarHBondContact O-N 3.39Å; T44-E48 WeakPolarHBondContact O-CG 3.2Å; T44-E48 PolarHBondContact O-N 3.27Å |
| 45 | E | 83.3 | Confident | 79.3 | Confident | 96 Ų | 96 | 90 Ų | 90 | 45% | 0.449 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.1 | -40.7 | 177.4 | -171.1 | -172.1 | 160.4 | 0 | 0 | 112 | R41 T42 E43 E48 K49 | R41-E45 PolarHBondContact O-N 3.43Å; T42-E45 PolarHBondContact O-N 2.89Å; E43-E45 VanDerWaalsContact C-N 3.34Å; E43-E45 PolarHBondContact O-N 3.35Å; E45-E48 PolarHBondContact O-N 3.33Å; E45-K49 WeakPolarHBondContact O-CG 3.27Å; E45-K49 PolarHBondContact O-N 2.7Å; E45-K49 VanDerWaalsContact OE1-CE 3.28Å; E45-K49 WeakPolarHBondContact OE1-CE 3.39Å; E45-K49 IonicContact OE1-NZ 3.81Å; E45-K49 PolarHBondContact OE1-NZ 2.93Å |
| 46 | M | 76.4 | Confident | 77.5 | Confident | 50 Ų | 50 | 85.3 Ų | 85.3 | 25% | 0.246 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.9 | -39.8 | 175.5 | -70.2 | -67.6 | -74 | 0 | 0 | 111.6 | T42 E43 T44 K49 Y50 V104 E107 | T42-M46 VanDerWaalsContact O-CG 3.27Å; T42-M46 WeakPolarHBondContact O-CG 3.43Å; T42-M46 PolarHBondContact O-N 3.46Å; E43-M46 PolarHBondContact O-N 3.29Å; T44-M46 VanDerWaalsContact C-N 3.35Å; T44-M46 PolarHBondContact O-N 3.12Å; M46-K49 PolarHBondContact O-N 3.44Å; M46-Y50 WeakPolarHBondContact O-CB 3.28Å; M46-Y50 PolarHBondContact O-N 2.91Å; M46-V104 HydrophobicContact CE-CG2 4.33Å; M46-E107 HydrophobicContact CE-CB 3.45Å; M46-E107 VanDerWaalsContact CE-CB 3.45Å; M46-E107 HydrophobicContact CE-CG 3.81Å |
| 47 | F | 77.6 | Confident | 75.9 | Confident | 63 Ų | 63 | 92.8 Ų | 92.8 | 28% | 0.276 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -65.6 | -44 | 173.9 | -67 | -43.7 | 0 | 0 | 0 | 112.7 | E43 T44 K49 Y50 Y51 L95 L103 | E43-F47 HydrophobicContact CB-CE2 4.4Å; E43-F47 HydrophobicContact CG-CD2 4.17Å; E43-F47 HydrophobicContact CG-CE2 3.43Å; E43-F47 VanDerWaalsContact CG-CE2 3.43Å; E43-F47 HydrophobicContact CG-CZ 3.71Å; E43-F47 WeakPolarHBondContact O-CD2 3.46Å; E43-F47 WeakPolarHBondContact O-CG 3.18Å; E43-F47 PolarHBondContact O-N 2.91Å; E43-F47 WeakPolarHBondContact OE1-CE2 3.43Å; E43-F47 VanDerWaalsContact OE1-CZ 3.24Å; E43-F47 WeakPolarHBondContact OE1-CZ 3.49Å; T44-F47 PolarHBondContact O-N 3.39Å; F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 2.68Å; F47-Y50 PolarHBondContact O-N 2.95Å; F47-Y51 WeakPolarHBondContact O-CB 2.92Å; F47-Y51 PolarHBondContact O-N 3Å; F47-L95 HydrophobicContact CD1-CD1 4.33Å; F47-L95 HydrophobicContact CE1-CD1 3.23Å; F47-L95 HydrophobicContact CE1-CG 4.37Å; F47-L95 HydrophobicContact CZ-CD1 3.45Å; F47-L95 VanDerWaalsContact CZ-CD1 3.45Å; F47-L95 HydrophobicContact CZ-CG 4.21Å; F47-L103 HydrophobicContact CD1-CD2 3.26Å; F47-L103 HydrophobicContact CE1-CD2 3.23Å; F47-L103 HydrophobicContact CG-CD2 4.47Å; F47-L103 HydrophobicContact CZ-CD2 4.46Å |
| 48 | E | 82.1 | Confident | 73.9 | Confident | 131 Ų | 131 | 96 Ų | 96 | 61% | 0.612 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -60 | -42.1 | 177.1 | -77.4 | -179.3 | 178.5 | 0 | 0 | 111.3 | T44 E45 A52 | T44-E48 WeakPolarHBondContact O-CG 3.2Å; T44-E48 PolarHBondContact O-N 3.27Å; E45-E48 PolarHBondContact O-N 3.33Å; E48-A52 WeakPolarHBondContact O-CB 3.24Å; E48-A52 PolarHBondContact O-N 2.93Å |
| 49 | K | 78.1 | Confident | 72 | Confident | 96 Ų | 96 | 99.2 Ų | 99.2 | 42% | 0.417 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.5 | -47.2 | 175.3 | -74.9 | 174 | -173.8 | 166.3 | 0 | 112.1 | E45 M46 F47 A52 K53 | E45-K49 WeakPolarHBondContact O-CG 3.27Å; E45-K49 PolarHBondContact O-N 2.7Å; E45-K49 VanDerWaalsContact OE1-CE 3.28Å; E45-K49 WeakPolarHBondContact OE1-CE 3.39Å; E45-K49 IonicContact OE1-NZ 3.81Å; E45-K49 PolarHBondContact OE1-NZ 2.93Å; M46-K49 PolarHBondContact O-N 3.44Å; F47-K49 VanDerWaalsContact C-N 3.3Å; F47-K49 PolarHBondContact O-N 2.68Å; K49-A52 PolarHBondContact O-N 3.24Å; K49-K53 WeakPolarHBondContact O-CG 3.17Å; K49-K53 PolarHBondContact O-N 3.43Å |
| 50 | Y | 73.5 | Confident | 70.1 | Confident | 68 Ų | 68 | 106.6 Ų | 106.6 | 27% | 0.267 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 178.3 | -179.6 | -109.3 | 0 | 0 | 0 | 112.4 | M46 F47 K53 L54 L103 K106 E107 | M46-Y50 WeakPolarHBondContact O-CB 3.28Å; M46-Y50 PolarHBondContact O-N 2.91Å; F47-Y50 PolarHBondContact O-N 2.95Å; Y50-K53 WeakPolarHBondContact O-CB 3.15Å; Y50-K53 PolarHBondContact O-N 2.77Å; Y50-L54 HydrophobicContact CD1-CD1 3.67Å; Y50-L54 HydrophobicContact CD1-CG 4.41Å; Y50-L54 HydrophobicContact CE1-CD1 3.19Å; Y50-L54 HydrophobicContact CE1-CG 4.13Å; Y50-L54 HydrophobicContact CE2-CD1 4.41Å; Y50-L54 HydrophobicContact CG-CD1 4.45Å; Y50-L54 WeakPolarHBondContact O-CG 3.36Å; Y50-L54 PolarHBondContact O-N 3.43Å; Y50-L54 VanDerWaalsContact O-N 3.08Å; Y50-L103 HydrophobicContact CD1-CD1 3.59Å; Y50-L103 HydrophobicContact CD2-CD1 3.25Å; Y50-L103 HydrophobicContact CE1-CD1 3.87Å; Y50-L103 HydrophobicContact CE2-CD1 3.55Å; Y50-L103 HydrophobicContact CG-CD1 3.26Å; Y50-K106 HydrophobicContact CE2-CD 3.93Å; Y50-E107 WeakPolarHBondContact CA-OE1 3.48Å |
| 51 | Y | 75.2 | Confident | 68 | Low | 149 Ų | 149 | 108 Ų | 108 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.7 | -42 | 178.9 | -166.4 | -88.2 | 0 | 0 | 0 | 111.3 | F47 K53 L54 E55 | F47-Y51 WeakPolarHBondContact O-CB 2.92Å; F47-Y51 PolarHBondContact O-N 3Å; Y51-K53 PolarHBondContact O-N 2.75Å; Y51-L54 PolarHBondContact O-N 3.05Å; Y51-L54 VanDerWaalsContact O-N 3.08Å; Y51-E55 HydrophobicContact CD1-CG 4.24Å; Y51-E55 HydrophobicContact CE1-CG 3.86Å; Y51-E55 WeakPolarHBondContact CE1-OE1 3.27Å; Y51-E55 PolarHBondContact O-N 2.68Å |
| 52 | A | 77.9 | Confident | 65.5 | Low | 64 Ų | 64 | 104.2 Ų | 104.2 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.8 | -24.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | E48 K49 | E48-A52 WeakPolarHBondContact O-CB 3.24Å; E48-A52 PolarHBondContact O-N 2.93Å; K49-A52 PolarHBondContact O-N 3.24Å |
| 53 | K | 72.8 | Confident | 63.8 | Low | 96 Ų | 96 | 112.1 Ų | 112.1 | 42% | 0.417 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -82.7 | -29.5 | 172.7 | -71.1 | 171.3 | 175.6 | 178.1 | 0 | 112.8 | K49 Y50 Y51 E107 D110 | K49-K53 WeakPolarHBondContact O-CG 3.17Å; K49-K53 PolarHBondContact O-N 3.43Å; Y50-K53 WeakPolarHBondContact O-CB 3.15Å; Y50-K53 PolarHBondContact O-N 2.77Å; Y51-K53 PolarHBondContact O-N 2.75Å; K53-E107 VanDerWaalsContact NZ-CD 3.29Å; K53-E107 IonicContact NZ-OE1 3.91Å; K53-E107 PolarHBondContact NZ-OE1 2.92Å; K53-E107 IonicContact NZ-OE2 2.84Å; K53-E107 PolarHBondContact NZ-OE2 3.27Å; K53-D110 IonicContact NZ-OD2 2.75Å; K53-D110 PolarHBondContact NZ-OD2 2.95Å |
| 54 | L | 66.6 | Low | 61.8 | Low | 96 Ų | 96 | 117.4 Ų | 117.4 | 50% | 0.503 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -80.4 | -27.3 | 178.4 | -75.4 | 178.4 | 0 | 0 | 0 | 113.5 | Y50 Y51 P56 | Y50-L54 HydrophobicContact CD1-CD1 3.67Å; Y50-L54 HydrophobicContact CD1-CG 4.41Å; Y50-L54 HydrophobicContact CE1-CD1 3.19Å; Y50-L54 HydrophobicContact CE1-CG 4.13Å; Y50-L54 HydrophobicContact CE2-CD1 4.41Å; Y50-L54 HydrophobicContact CG-CD1 4.45Å; Y50-L54 WeakPolarHBondContact O-CG 3.36Å; Y50-L54 PolarHBondContact O-N 3.43Å; Y50-L54 VanDerWaalsContact O-N 3.08Å; Y51-L54 PolarHBondContact O-N 3.05Å; Y51-L54 VanDerWaalsContact O-N 3.08Å; L54-P56 VanDerWaalsContact O-CD 3.27Å; L54-P56 WeakPolarHBondContact O-CD 3.16Å |
| 55 | E | 58.9 | Low | 59.7 | Low | 68 Ų | 68 | 118.8 Ų | 118.8 | 32% | 0.318 | 58% | 0.579 | S | S | . | * | S | Bend | trans | -64.5 | 120.2 | 172.1 | -83.5 | -169.7 | 162.6 | 0 | 0 | 110.2 | Y51 R57 | Y51-E55 HydrophobicContact CD1-CG 4.24Å; Y51-E55 HydrophobicContact CE1-CG 3.86Å; Y51-E55 WeakPolarHBondContact CE1-OE1 3.27Å; Y51-E55 PolarHBondContact O-N 2.68Å; E55-R57 PolarHBondContact O-N 3.24Å |
| 56 | P | 49.5 | Very low | 57.8 | Low | 81 Ų | 81 | 123.4 Ų | 123.4 | 53% | 0.526 | 60% | 0.6 | S | S | . | * | trans | -54.7 | 135.6 | 165.9 | -20 | 32.3 | 0 | 0 | 0 | 108.2 | L54 D58 Q59 | L54-P56 VanDerWaalsContact O-CD 3.27Å; L54-P56 WeakPolarHBondContact O-CD 3.16Å; P56-D58 PolarHBondContact O-N 3.41Å; P56-Q59 PolarHBondContact O-N 2.86Å; P56-Q59 VanDerWaalsContact O-N 3.12Å | ||
| 57 | R | 53.3 | Low | 56.1 | Low | 224 Ų | 224 | 126.9 Ų | 126.9 | 85% | 0.845 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -7 | -176.3 | -145.8 | -179.8 | -174.4 | -172.6 | 2.1 | 114.9 | E55 | E55-R57 PolarHBondContact O-N 3.24Š|
| 58 | D | 45.2 | Very low | 54.7 | Low | 154 Ų | 154 | 134.1 Ų | 134.1 | 82% | 0.824 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -6.7 | -179.2 | -63.9 | -31.3 | 0 | 0 | 0 | 115.1 | P56 | P56-D58 PolarHBondContact O-N 3.41Š|
| 59 | Q | 47.3 | Very low | 52.6 | Low | 135 Ų | 135 | 134.6 Ų | 134.6 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | trans | -119.9 | 33.9 | -179.1 | -70.3 | -174.8 | 14.5 | 0 | 0 | 114.8 | P56 P61 | P56-Q59 PolarHBondContact O-N 2.86Å; P56-Q59 VanDerWaalsContact O-N 3.12Å; Q59-P61 WeakPolarHBondContact O-CD 3.41Å | ||
| 60 | R | 38.9 | Very low | 51 | Low | 198 Ų | 198 | 134.5 Ų | 134.5 | 75% | 0.747 | 67% | 0.665 | S | S | * | * | trans | -75.3 | 115 | 162.4 | -77.2 | -177.5 | -179.7 | 178.1 | -0.4 | 109.5 | S62 | R60-S62 PolarHBondContact O-N 3.25Š| ||
| 61 | P | 40.5 | Very low | 49.5 | Very low | 116 Ų | 116 | 136 Ų | 136 | 75% | 0.753 | 69% | 0.692 | S | S | * | * | trans | -65.3 | 124.3 | 159.5 | -6.6 | 24.7 | 0 | 0 | 0 | 106.5 | Q59 R63 | Q59-P61 WeakPolarHBondContact O-CD 3.41Å; P61-R63 PolarHBondContact O-N 3.47Å | ||
| 62 | S | 33.9 | Very low | 48.2 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 77% | 0.769 | 69% | 0.692 | S | S | * | * | trans | -43.2 | 131 | 170.5 | -96.4 | 0 | 0 | 0 | 0 | 110 | R60 L64 | R60-S62 PolarHBondContact O-N 3.25Å; S62-L64 PolarHBondContact O-N 3.01Å | ||
| 63 | R | 44.3 | Very low | 46.5 | Very low | 242 Ų | 242 | 134.5 Ų | 134.5 | 91% | 0.913 | 70% | 0.695 | S | S | * | * | trans | -42.7 | 111 | 167.8 | -78.4 | -175 | 170.3 | -161.9 | -2.9 | 108.5 | P61 S65 | P61-R63 PolarHBondContact O-N 3.47Å; R63-S65 VanDerWaalsContact C-N 3.33Å; R63-S65 PolarHBondContact O-N 3.47Å | ||
| 64 | L | 39.4 | Very low | 45.2 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -64.2 | 99.4 | 172.9 | -77.1 | 167 | 0 | 0 | 0 | 107.5 | S62 | S62-L64 PolarHBondContact O-N 3.01Š| ||
| 65 | S | 39 | Very low | 44.2 | Very low | 101 Ų | 101 | 140.2 Ų | 140.2 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | -66.6 | 127.3 | 158.9 | 28.5 | 0 | 0 | 0 | 0 | 107.6 | R63 | R63-S65 VanDerWaalsContact C-N 3.33Å; R63-S65 PolarHBondContact O-N 3.47Å | ||
| 66 | E | 43 | Very low | 43.6 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 90% | 0.897 | 75% | 0.752 | S | S | * | * | trans | 33.4 | 88.7 | 155.2 | -64.3 | -178.3 | 161.7 | 0 | 0 | 117.3 | ||||
| 67 | I | 40.3 | Very low | 43 | Very low | 124 Ų | 124 | 151.6 Ų | 151.6 | 64% | 0.636 | 77% | 0.77 | S | S | * | * | trans | -121.2 | 102.6 | 156 | -54 | 178.5 | 0 | 0 | 0 | 108 | M69 | I67-M69 HydrophobicContact CG2-CG 3.61Å; I67-M69 HydrophobicContact CG2-SD 4.19Å; I67-M69 PolarHBondContact O-N 3.42Å | ||
| 68 | K | 48.2 | Very low | 42.6 | Very low | 214 Ų | 214 | 153 Ų | 153 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | trans | -68.4 | 114.3 | 163.6 | -70 | 177.9 | 178.4 | 175.5 | 0 | 107.5 | ||||
| 69 | M | 38.1 | Very low | 42 | Very low | 142 Ų | 142 | 148.9 Ų | 148.9 | 70% | 0.7 | 77% | 0.77 | S | S | * | * | trans | -118 | 138 | 167.2 | -66.7 | -161.3 | 59.5 | 0 | 0 | 111.2 | I67 D73 | I67-M69 HydrophobicContact CG2-CG 3.61Å; I67-M69 HydrophobicContact CG2-SD 4.19Å; I67-M69 PolarHBondContact O-N 3.42Å; M69-D73 WeakPolarHBondContact CE-OD2 3.41Å | ||
| 70 | S | 44.7 | Very low | 42 | Very low | 93 Ų | 93 | 154.6 Ų | 154.6 | 65% | 0.65 | 79% | 0.786 | S | S | * | * | trans | -82.9 | 154.8 | -168.6 | 171.8 | 0 | 0 | 0 | 0 | 112.4 | A72 | S70-A72 PolarHBondContact O-N 2.89Š| ||
| 71 | A | 42.9 | Very low | 42 | Very low | 100 Ų | 100 | 157 Ų | 157 | 83% | 0.826 | 80% | 0.795 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | 0.1 | -178 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 72 | A | 48.6 | Very low | 41.8 | Very low | 72 Ų | 72 | 163.3 Ų | 163.3 | 60% | 0.595 | 80% | 0.803 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -15.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | S70 Y74 | S70-A72 PolarHBondContact O-N 2.89Å; A72-Y74 VanDerWaalsContact C-N 3.3Å; A72-Y74 PolarHBondContact O-N 3.37Å |
| 73 | D | 42.3 | Very low | 42.1 | Very low | 110 Ų | 110 | 163.4 Ų | 163.4 | 59% | 0.588 | 80% | 0.804 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.2 | -0.8 | -177 | -64.5 | -32.3 | 0 | 0 | 0 | 113.6 | M69 A75 | M69-D73 WeakPolarHBondContact CE-OD2 3.41Å; D73-A75 PolarHBondContact O-N 2.78Å |
| 74 | Y | 44.3 | Very low | 41.8 | Very low | 226 Ų | 226 | 161.5 Ų | 161.5 | 89% | 0.886 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | -8.8 | -176.7 | -127.7 | -92.6 | 0 | 0 | 0 | 114.5 | A72 | A72-Y74 VanDerWaalsContact C-N 3.3Å; A72-Y74 PolarHBondContact O-N 3.37Å |
| 75 | A | 45.7 | Very low | 41.8 | Very low | 85 Ų | 85 | 158.2 Ų | 158.2 | 70% | 0.702 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -108.8 | -0.5 | -162.7 | 0 | 0 | 0 | 0 | 0 | 117.2 | D73 | D73-A75 PolarHBondContact O-N 2.78Š|
| 76 | Q | 45.8 | Very low | 41.8 | Very low | 179 Ų | 179 | 164.9 Ų | 164.9 | 84% | 0.836 | 80% | 0.802 | S | S | * | * | S | Bend | trans | -110.1 | 5.2 | -169.5 | -70.6 | -168.3 | -10.8 | 0 | 0 | 117.4 | ||
| 77 | F | 38 | Very low | 41.7 | Very low | 209 Ų | 209 | 162.3 Ų | 162.3 | 92% | 0.917 | 80% | 0.8 | S | S | * | * | trans | -108.9 | 44.2 | 175.8 | -76.6 | -75.4 | 0 | 0 | 0 | 114.4 | ||||
| 78 | R | 43.4 | Very low | 41.8 | Very low | 254 Ų | 254 | 159 Ų | 159 | 96% | 0.958 | 80% | 0.796 | S | S | * | * | trans | -90.1 | 95.5 | 160.7 | -84.9 | -156.7 | -175.3 | -154.1 | 4.3 | 110.7 | ||||
| 79 | G | 34.2 | Very low | 41.6 | Very low | 68 Ų | 68 | 154.4 Ų | 154.4 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | -137.9 | 90.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R81 | G79-R81 PolarHBondContact O-N 3.26Š| ||
| 80 | R | 46 | Very low | 41.6 | Very low | 255 Ų | 255 | 155.2 Ų | 155.2 | 96% | 0.962 | 79% | 0.793 | S | S | * | * | trans | 12 | 98.9 | 157.3 | -125.9 | 179 | -170.3 | -159.8 | 3.8 | 117.2 | ||||
| 81 | R | 39.4 | Very low | 41.8 | Very low | 248 Ų | 248 | 160.6 Ų | 160.6 | 94% | 0.936 | 80% | 0.799 | S | S | * | * | trans | -126.5 | 131.1 | 149.3 | -82.1 | -167.5 | 177.6 | -146.5 | 1.1 | 110.4 | G79 | G79-R81 PolarHBondContact O-N 3.26Š| ||
| 82 | R | 35.4 | Very low | 42.1 | Very low | 249 Ų | 249 | 158.6 Ų | 158.6 | 94% | 0.94 | 79% | 0.788 | S | S | * | * | trans | -50.5 | 134.2 | 178.9 | -115.5 | 168.6 | 165.3 | 164.7 | -5.6 | 111.2 | K84 | R82-K84 PolarHBondContact O-N 3.2Š| ||
| 83 | S | 41.9 | Very low | 42.7 | Very low | 111 Ų | 111 | 162 Ų | 162 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -47.8 | 119.2 | 160.4 | 168.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 84 | K | 37.4 | Very low | 43.8 | Very low | 202 Ų | 202 | 159.2 Ų | 159.2 | 88% | 0.878 | 80% | 0.798 | S | S | * | * | trans | -125.7 | 96.2 | 146.9 | -150.4 | 164.7 | -171 | 172.6 | 0 | 105.5 | R82 R86 | R82-K84 PolarHBondContact O-N 3.2Å; K84-R86 PolarHBondContact O-N 3.08Å | ||
| 85 | S | 38.2 | Very low | 45 | Very low | 89 Ų | 89 | 151.6 Ų | 151.6 | 62% | 0.622 | 77% | 0.773 | S | S | * | * | trans | -48.5 | 105.4 | 169 | 49.6 | 0 | 0 | 0 | 0 | 109.7 | T87 | S85-T87 VanDerWaalsContact C-N 3.3Š| ||
| 86 | R | 39.9 | Very low | 46.8 | Very low | 241 Ų | 241 | 151 Ų | 151 | 91% | 0.909 | 76% | 0.76 | S | S | * | * | trans | -93 | 80.1 | 143.1 | -83.6 | -174.1 | 161.4 | -171.4 | -5.2 | 106.4 | K84 G88 | K84-R86 PolarHBondContact O-N 3.08Å; R86-G88 PolarHBondContact O-N 3Å | ||
| 87 | T | 41.8 | Very low | 48.5 | Very low | 137 Ų | 137 | 148 Ų | 148 | 84% | 0.84 | 75% | 0.754 | S | S | * | * | trans | -58.5 | 93.1 | 144.7 | 28.6 | 0 | 0 | 0 | 0 | 106.5 | S85 | S85-T87 VanDerWaalsContact C-N 3.3Š| ||
| 88 | G | 40.5 | Very low | 50.6 | Low | 55 Ų | 55 | 144.1 Ų | 144.1 | 57% | 0.567 | 74% | 0.743 | S | S | * | * | trans | -157.3 | 96 | 172.4 | 0 | 0 | 0 | 0 | 0 | 102.7 | R86 D90 | R86-G88 PolarHBondContact O-N 3Å; G88-D90 PolarHBondContact O-N 2.71Å | ||
| 89 | V | 44 | Very low | 52.5 | Low | 117 Ų | 117 | 136.2 Ų | 136.2 | 71% | 0.709 | 72% | 0.717 | S | S | * | * | trans | -37 | 106.9 | 168.2 | 172 | 0 | 0 | 0 | 0 | 106.9 | R91 | V89-R91 HydrophobicContact CG1-CB 3.97Å; V89-R91 HydrophobicContact CG1-CG 3.48Å; V89-R91 VanDerWaalsContact CG1-CG 3.48Å; V89-R91 PolarHBondContact O-N 3Å | ||
| 90 | D | 40 | Very low | 54.8 | Low | 159 Ų | 159 | 136.1 Ų | 136.1 | 85% | 0.85 | 70% | 0.697 | S | S | * | * | trans | -72.3 | 66.7 | 166.6 | -161.2 | 23.3 | 0 | 0 | 0 | 105.3 | G88 G92 | G88-D90 PolarHBondContact O-N 2.71Å; D90-G92 PolarHBondContact O-N 3.33Å | ||
| 91 | R | 47.6 | Very low | 56.6 | Low | 207 Ų | 207 | 128.4 Ų | 128.4 | 78% | 0.781 | 67% | 0.674 | S | S | * | * | trans | -62.6 | 88.6 | 156.5 | -97.5 | 162.8 | -162.4 | -145.9 | 6.8 | 101.1 | V89 V93 | V89-R91 HydrophobicContact CG1-CB 3.97Å; V89-R91 HydrophobicContact CG1-CG 3.48Å; V89-R91 VanDerWaalsContact CG1-CG 3.48Å; V89-R91 PolarHBondContact O-N 3Å; R91-V93 PolarHBondContact O-N 2.72Å | ||
| 92 | G | 50.1 | Low | 58.8 | Low | 57 Ų | 57 | 123 Ų | 123 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | trans | -42.2 | 117.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 105.3 | D90 G94 | D90-G92 PolarHBondContact O-N 3.33Å; G92-G94 PolarHBondContact O-N 3.21Å | ||
| 93 | V | 61.6 | Low | 61.2 | Low | 144 Ų | 144 | 111.8 Ų | 111.8 | 87% | 0.873 | 62% | 0.618 | S | S | * | * | trans | -63.7 | 94.7 | -176.5 | 176.4 | 0 | 0 | 0 | 0 | 104.7 | R91 | R91-V93 PolarHBondContact O-N 2.72Š| ||
| 94 | G | 65 | Low | 63.4 | Low | 51 Ų | 51 | 110.2 Ų | 110.2 | 53% | 0.526 | 60% | 0.604 | S | S | . | * | P | Polyproline II helix | trans | -57.8 | 142.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | G92 T96 | G92-G94 PolarHBondContact O-N 3.21Å; G94-T96 PolarHBondContact O-N 3.29Å |
| 95 | L | 69.9 | Low | 65.7 | Low | 67 Ų | 67 | 106.2 Ų | 106.2 | 35% | 0.351 | 59% | 0.588 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 139.7 | 174.3 | -67.4 | -176.6 | 0 | 0 | 0 | 109.3 | F47 Q99 K100 | F47-L95 HydrophobicContact CD1-CD1 4.33Å; F47-L95 HydrophobicContact CE1-CD1 3.23Å; F47-L95 HydrophobicContact CE1-CG 4.37Å; F47-L95 HydrophobicContact CZ-CD1 3.45Å; F47-L95 VanDerWaalsContact CZ-CD1 3.45Å; F47-L95 HydrophobicContact CZ-CG 4.21Å; L95-Q99 HydrophobicContact CB-CB 3.93Å; L95-Q99 HydrophobicContact CD1-CB 4.48Å; L95-Q99 HydrophobicContact CD2-CB 4.26Å; L95-Q99 HydrophobicContact CG-CB 4.46Å; L95-K100 HydrophobicContact CB-CG 3.78Å; L95-K100 WeakPolarHBondContact O-CE 3.5Å |
| 96 | T | 82 | Confident | 68.1 | Low | 73 Ų | 73 | 106.5 Ų | 106.5 | 45% | 0.448 | 58% | 0.578 | S | S | . | * | P | Polyproline II helix | trans | -61.4 | 155.9 | 173.4 | 60.4 | 0 | 0 | 0 | 0 | 109.3 | G94 D98 Q99 K100 | G94-T96 PolarHBondContact O-N 3.29Å; T96-D98 PolarHBondContact O-N 3.21Å; T96-D98 VanDerWaalsContact O-N 3.15Å; T96-Q99 WeakPolarHBondContact O-CB 3.29Å; T96-Q99 PolarHBondContact O-N 3.48Å; T96-Q99 VanDerWaalsContact OG1-CG 3.29Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.37Å; T96-Q99 PolarHBondContact OG1-N 2.96Å; T96-Q99 PolarHBondContact OG1-OE1 3.49Å; T96-K100 PolarHBondContact O-N 3.15Å |
| 97 | V | 81.4 | Confident | 70.2 | Confident | 116 Ų | 116 | 95.3 Ų | 95.3 | 70% | 0.703 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -53.7 | -37 | 177.7 | 176.8 | 0 | 0 | 0 | 0 | 110.8 | K100 L101 | V97-K100 PolarHBondContact O-N 3.36Å; V97-L101 VanDerWaalsContact O-CB 3.31Å; V97-L101 WeakPolarHBondContact O-CB 3.49Å; V97-L101 PolarHBondContact O-N 2.91Å |
| 98 | D | 81.9 | Confident | 72.5 | Confident | 126 Ų | 126 | 93.1 Ų | 93.1 | 67% | 0.674 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.6 | -44.8 | 176.1 | -57.9 | -33.1 | 0 | 0 | 0 | 112.5 | T96 K100 L101 E102 | T96-D98 PolarHBondContact O-N 3.21Å; T96-D98 VanDerWaalsContact O-N 3.15Å; D98-K100 PolarHBondContact O-N 3.05Å; D98-L101 PolarHBondContact O-N 3.26Å; D98-E102 WeakPolarHBondContact O-CB 3.49Å; D98-E102 PolarHBondContact O-N 3.44Å |
| 99 | Q | 83.1 | Confident | 74.9 | Confident | 89 Ų | 89 | 94.2 Ų | 94.2 | 42% | 0.416 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 176.7 | -74.4 | 170.8 | -22.9 | 0 | 0 | 112.2 | L95 T96 L103 | L95-Q99 HydrophobicContact CB-CB 3.93Å; L95-Q99 HydrophobicContact CD1-CB 4.48Å; L95-Q99 HydrophobicContact CD2-CB 4.26Å; L95-Q99 HydrophobicContact CG-CB 4.46Å; T96-Q99 WeakPolarHBondContact O-CB 3.29Å; T96-Q99 PolarHBondContact O-N 3.48Å; T96-Q99 VanDerWaalsContact OG1-CG 3.29Å; T96-Q99 WeakPolarHBondContact OG1-CG 3.37Å; T96-Q99 PolarHBondContact OG1-N 2.96Å; T96-Q99 PolarHBondContact OG1-OE1 3.49Å; Q99-L103 WeakPolarHBondContact O-CB 3.34Å; Q99-L103 PolarHBondContact O-N 3Å |
| 100 | K | 83.1 | Confident | 77 | Confident | 65 Ų | 65 | 90.9 Ų | 90.9 | 28% | 0.283 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.7 | -40.8 | 174.1 | -64.1 | -173.6 | -170.1 | -162.3 | 0 | 111.2 | E43 L95 T96 V97 D98 L103 V104 | E43-K100 WeakPolarHBondContact OE1-CD 3.46Å; E43-K100 WeakPolarHBondContact OE1-CE 3.43Å; E43-K100 IonicContact OE1-NZ 2.77Å; E43-K100 PolarHBondContact OE1-NZ 2.99Å; E43-K100 IonicContact OE2-NZ 2.68Å; E43-K100 PolarHBondContact OE2-NZ 2.81Å; L95-K100 HydrophobicContact CB-CG 3.78Å; L95-K100 WeakPolarHBondContact O-CE 3.5Å; T96-K100 PolarHBondContact O-N 3.15Å; V97-K100 PolarHBondContact O-N 3.36Å; D98-K100 PolarHBondContact O-N 3.05Å; K100-L103 PolarHBondContact O-N 3.08Å; K100-V104 WeakPolarHBondContact O-CB 3.31Å; K100-V104 VanDerWaalsContact O-CG2 3.25Å; K100-V104 WeakPolarHBondContact O-CG2 3.25Å; K100-V104 PolarHBondContact O-N 2.89Å |
| 101 | L | 84.4 | Confident | 79.4 | Confident | 93 Ų | 93 | 86.2 Ų | 86.2 | 49% | 0.487 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.1 | -42.2 | 178.9 | -173.8 | 141.3 | 0 | 0 | 0 | 111.6 | V97 D98 L103 V104 Q105 | V97-L101 VanDerWaalsContact O-CB 3.31Å; V97-L101 WeakPolarHBondContact O-CB 3.49Å; V97-L101 PolarHBondContact O-N 2.91Å; D98-L101 PolarHBondContact O-N 3.26Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.38Å; L101-V104 PolarHBondContact O-N 3.35Å; L101-Q105 HydrophobicContact CD2-CG 4.32Å; L101-Q105 VanDerWaalsContact CD2-NE2 3.25Å; L101-Q105 WeakPolarHBondContact O-CB 3.43Å; L101-Q105 VanDerWaalsContact O-CG 3.26Å; L101-Q105 WeakPolarHBondContact O-CG 3.24Å; L101-Q105 PolarHBondContact O-N 3.46Å |
| 102 | E | 84.9 | Confident | 81.5 | Confident | 134 Ų | 134 | 80.7 Ų | 80.7 | 63% | 0.626 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -60 | -44.5 | 173.6 | -173.7 | -179.3 | -179.5 | 0 | 0 | 111.5 | D98 Q105 K106 | D98-E102 WeakPolarHBondContact O-CB 3.49Å; D98-E102 PolarHBondContact O-N 3.44Å; E102-Q105 PolarHBondContact O-N 3.37Å; E102-K106 WeakPolarHBondContact O-CB 3.38Å; E102-K106 PolarHBondContact O-N 3.49Å |
| 103 | L | 86.1 | Confident | 83.6 | Confident | 15 Ų | 15 | 80.9 Ų | 80.9 | 8% | 0.079 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -62.1 | -47.2 | 177 | -176.9 | 69.7 | 0 | 0 | 0 | 112.2 | F47 Y50 Q99 K100 L101 Q105 K106 E107 | F47-L103 HydrophobicContact CD1-CD2 3.26Å; F47-L103 HydrophobicContact CE1-CD2 3.23Å; F47-L103 HydrophobicContact CG-CD2 4.47Å; F47-L103 HydrophobicContact CZ-CD2 4.46Å; Y50-L103 HydrophobicContact CD1-CD1 3.59Å; Y50-L103 HydrophobicContact CD2-CD1 3.25Å; Y50-L103 HydrophobicContact CE1-CD1 3.87Å; Y50-L103 HydrophobicContact CE2-CD1 3.55Å; Y50-L103 HydrophobicContact CG-CD1 3.26Å; Q99-L103 WeakPolarHBondContact O-CB 3.34Å; Q99-L103 PolarHBondContact O-N 3Å; K100-L103 PolarHBondContact O-N 3.08Å; L101-L103 VanDerWaalsContact C-N 3.35Å; L101-L103 PolarHBondContact O-N 3.38Å; L103-Q105 VanDerWaalsContact C-N 3.3Å; L103-Q105 PolarHBondContact O-N 2.95Å; L103-K106 PolarHBondContact O-N 3.4Å; L103-E107 PolarHBondContact O-N 3.38Å |
| 104 | V | 87.4 | Confident | 85.1 | Confident | 77 Ų | 77 | 78.3 Ų | 78.3 | 47% | 0.467 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 178.4 | 169.1 | 0 | 0 | 0 | 0 | 110.7 | M46 K100 L101 L108 | M46-V104 HydrophobicContact CE-CG2 4.33Å; K100-V104 WeakPolarHBondContact O-CB 3.31Å; K100-V104 VanDerWaalsContact O-CG2 3.25Å; K100-V104 WeakPolarHBondContact O-CG2 3.25Å; K100-V104 PolarHBondContact O-N 2.89Å; L101-V104 PolarHBondContact O-N 3.35Å; V104-L108 WeakPolarHBondContact O-CB 3.26Å; V104-L108 PolarHBondContact O-N 2.91Å |
| 105 | Q | 86.9 | Confident | 86.5 | Confident | 118 Ų | 118 | 80.4 Ų | 80.4 | 55% | 0.551 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 175.7 | -77.1 | 178.4 | -8.9 | 0 | 0 | 112.1 | L101 E102 L103 L108 E109 | L101-Q105 HydrophobicContact CD2-CG 4.32Å; L101-Q105 VanDerWaalsContact CD2-NE2 3.25Å; L101-Q105 WeakPolarHBondContact O-CB 3.43Å; L101-Q105 VanDerWaalsContact O-CG 3.26Å; L101-Q105 WeakPolarHBondContact O-CG 3.24Å; L101-Q105 PolarHBondContact O-N 3.46Å; E102-Q105 PolarHBondContact O-N 3.37Å; L103-Q105 VanDerWaalsContact C-N 3.3Å; L103-Q105 PolarHBondContact O-N 2.95Å; Q105-L108 WeakPolarHBondContact O-CB 3.39Å; Q105-L108 PolarHBondContact O-N 2.94Å; Q105-E109 PolarHBondContact O-N 2.88Å |
| 106 | K | 87.6 | Confident | 87.6 | Confident | 95 Ų | 95 | 83.8 Ų | 83.8 | 41% | 0.413 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -64.8 | -47.8 | 177.7 | -175.3 | 173.2 | 171.5 | -176 | 0 | 111.9 | Y50 E102 L103 L108 E109 D110 | Y50-K106 HydrophobicContact CE2-CD 3.93Å; E102-K106 WeakPolarHBondContact O-CB 3.38Å; E102-K106 PolarHBondContact O-N 3.49Å; L103-K106 PolarHBondContact O-N 3.4Å; K106-L108 VanDerWaalsContact C-N 3.28Å; K106-L108 PolarHBondContact O-N 3.38Å; K106-E109 PolarHBondContact O-N 2.89Å; K106-E109 VanDerWaalsContact O-N 3.14Å; K106-D110 PolarHBondContact O-N 3.35Å |
| 107 | E | 85.2 | Confident | 88.3 | Confident | 7 Ų | 7 | 86 Ų | 86 | 3% | 0.033 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -62.9 | -34.8 | 175.5 | -75.1 | -64.3 | 143 | 0 | 0 | 112.2 | M46 Y50 K53 L103 T111 | M46-E107 HydrophobicContact CE-CB 3.45Å; M46-E107 VanDerWaalsContact CE-CB 3.45Å; M46-E107 HydrophobicContact CE-CG 3.81Å; Y50-E107 WeakPolarHBondContact CA-OE1 3.48Å; K53-E107 VanDerWaalsContact NZ-CD 3.29Å; K53-E107 IonicContact NZ-OE1 3.91Å; K53-E107 PolarHBondContact NZ-OE1 2.92Å; K53-E107 IonicContact NZ-OE2 2.84Å; K53-E107 PolarHBondContact NZ-OE2 3.27Å; L103-E107 PolarHBondContact O-N 3.38Å; E107-T111 WeakPolarHBondContact O-CB 3.49Å; E107-T111 VanDerWaalsContact O-CG2 3.24Å; E107-T111 WeakPolarHBondContact O-CG2 3.45Å; E107-T111 PolarHBondContact O-N 2.87Å; E107-T111 PolarHBondContact O-OG1 3.26Å |
| 108 | L | 88.8 | Confident | 89 | Confident | 90 Ų | 90 | 86.8 Ų | 86.8 | 47% | 0.471 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 173 | -178 | 69.7 | 0 | 0 | 0 | 111.7 | V104 Q105 K106 T111 K112 | V104-L108 WeakPolarHBondContact O-CB 3.26Å; V104-L108 PolarHBondContact O-N 2.91Å; Q105-L108 WeakPolarHBondContact O-CB 3.39Å; Q105-L108 PolarHBondContact O-N 2.94Å; K106-L108 VanDerWaalsContact C-N 3.28Å; K106-L108 PolarHBondContact O-N 3.38Å; L108-T111 WeakPolarHBondContact CA-OG1 3.41Å; L108-T111 PolarHBondContact O-OG1 2.93Å; L108-K112 VanDerWaalsContact O-CG 3.25Å; L108-K112 WeakPolarHBondContact O-CG 3.21Å; L108-K112 PolarHBondContact O-N 3.13Å; L108-K112 VanDerWaalsContact O-N 3.08Å |
| 109 | E | 90.9 | Very high | 89.6 | Confident | 79 Ų | 79 | 89.6 Ų | 89.6 | 37% | 0.369 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -72.3 | -42.7 | 178.4 | -160.8 | 58.5 | -153.2 | 0 | 0 | 111.7 | Q105 K106 T111 K112 D113 R116 | Q105-E109 PolarHBondContact O-N 2.88Å; K106-E109 PolarHBondContact O-N 2.89Å; K106-E109 VanDerWaalsContact O-N 3.14Å; E109-T111 VanDerWaalsContact C-N 3.33Å; E109-T111 PolarHBondContact O-N 2.89Å; E109-K112 WeakPolarHBondContact O-CB 3.48Å; E109-K112 PolarHBondContact O-N 3.08Å; E109-K112 VanDerWaalsContact O-N 3.15Å; E109-K112 WeakPolarHBondContact OE2-CD 3.44Å; E109-K112 IonicContact OE2-NZ 3.54Å; E109-K112 PolarHBondContact OE2-NZ 3.45Å; E109-D113 PolarHBondContact O-N 3.14Å; E109-R116 IonicContact OE1-CZ 3.91Å; E109-R116 IonicContact OE1-NH2 3.25Å; E109-R116 PolarHBondContact OE1-NH2 3.31Å |
| 110 | D | 89.1 | Confident | 90.2 | Very high | 46 Ų | 46 | 87.5 Ų | 87.5 | 25% | 0.246 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -56.2 | -47.1 | 173.5 | -73.7 | -1.2 | 0 | 0 | 0 | 111.3 | K53 K106 K112 D113 D114 | K53-D110 IonicContact NZ-OD2 2.75Å; K53-D110 PolarHBondContact NZ-OD2 2.95Å; K106-D110 PolarHBondContact O-N 3.35Å; D110-K112 VanDerWaalsContact C-N 3.33Å; D110-K112 PolarHBondContact O-N 3.15Å; D110-D113 PolarHBondContact O-N 2.87Å; D110-D114 PolarHBondContact O-N 3.36Å |
| 111 | T | 89.7 | Confident | 90.8 | Very high | 61 Ų | 61 | 87.7 Ų | 87.7 | 37% | 0.374 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.5 | -33 | 179.4 | 51.2 | 0 | 0 | 0 | 0 | 112.5 | E107 L108 E109 L115 | E107-T111 WeakPolarHBondContact O-CB 3.49Å; E107-T111 VanDerWaalsContact O-CG2 3.24Å; E107-T111 WeakPolarHBondContact O-CG2 3.45Å; E107-T111 PolarHBondContact O-N 2.87Å; E107-T111 PolarHBondContact O-OG1 3.26Å; L108-T111 WeakPolarHBondContact CA-OG1 3.41Å; L108-T111 PolarHBondContact O-OG1 2.93Å; E109-T111 VanDerWaalsContact C-N 3.33Å; E109-T111 PolarHBondContact O-N 2.89Å; T111-L115 WeakPolarHBondContact O-CB 3.25Å; T111-L115 VanDerWaalsContact O-CG 3.23Å; T111-L115 WeakPolarHBondContact O-CG 3.42Å; T111-L115 PolarHBondContact O-N 2.97Å |
| 112 | K | 93.1 | Very high | 91.3 | Very high | 91 Ų | 91 | 86 Ų | 86 | 40% | 0.396 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -65.3 | -42.3 | 170.9 | -76.2 | 169.6 | -175.4 | 169 | 0 | 111.4 | L108 E109 D110 L115 R116 | L108-K112 VanDerWaalsContact O-CG 3.25Å; L108-K112 WeakPolarHBondContact O-CG 3.21Å; L108-K112 PolarHBondContact O-N 3.13Å; L108-K112 VanDerWaalsContact O-N 3.08Å; E109-K112 WeakPolarHBondContact O-CB 3.48Å; E109-K112 PolarHBondContact O-N 3.08Å; E109-K112 VanDerWaalsContact O-N 3.15Å; E109-K112 WeakPolarHBondContact OE2-CD 3.44Å; E109-K112 IonicContact OE2-NZ 3.54Å; E109-K112 PolarHBondContact OE2-NZ 3.45Å; D110-K112 VanDerWaalsContact C-N 3.33Å; D110-K112 PolarHBondContact O-N 3.15Å; K112-L115 PolarHBondContact O-N 3.4Å; K112-R116 WeakPolarHBondContact O-CG 3.48Å; K112-R116 PolarHBondContact O-N 2.96Å |
| 113 | D | 93.4 | Very high | 91.8 | Very high | 62 Ų | 62 | 84.8 Ų | 84.8 | 33% | 0.332 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -62.7 | -46 | 176 | -80.7 | -21.9 | 0 | 0 | 0 | 112.1 | E109 D110 L115 R116 H117 | E109-D113 PolarHBondContact O-N 3.14Å; D110-D113 PolarHBondContact O-N 2.87Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 3.46Å; D113-R116 WeakPolarHBondContact O-CB 3.23Å; D113-R116 PolarHBondContact O-N 3.45Å; D113-R116 VanDerWaalsContact O-N 3.15Å; D113-R116 IonicContact OD1-CZ 3.08Å; D113-R116 IonicContact OD1-NE 2.61Å; D113-R116 PolarHBondContact OD1-NE 2.83Å; D113-R116 IonicContact OD1-NH2 3.26Å; D113-R116 PolarHBondContact OD1-NH2 3.49Å; D113-H117 PolarHBondContact O-CD2 3.15Å; D113-H117 VanDerWaalsContact O-CD2 3.29Å; D113-H117 PolarHBondContact O-N 2.93Å |
| 114 | D | 92.8 | Very high | 92.2 | Very high | 90 Ų | 90 | 90.6 Ų | 90.6 | 48% | 0.481 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 174.8 | -75.2 | -22.2 | 0 | 0 | 0 | 111.3 | D110 H117 M118 | D110-D114 PolarHBondContact O-N 3.36Å; D114-H117 PolarHBondContact O-N 3.35Å; D114-M118 WeakPolarHBondContact O-CB 3.33Å; D114-M118 WeakPolarHBondContact O-CG 3.38Å; D114-M118 PolarHBondContact O-N 2.96Å |
| 115 | L | 93.8 | Very high | 92.7 | Very high | 94 Ų | 94 | 91 Ų | 91 | 49% | 0.492 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -63.6 | -40.7 | 175.2 | -76.4 | 172.8 | 0 | 0 | 0 | 112.4 | T111 K112 D113 R119 | T111-L115 WeakPolarHBondContact O-CB 3.25Å; T111-L115 VanDerWaalsContact O-CG 3.23Å; T111-L115 WeakPolarHBondContact O-CG 3.42Å; T111-L115 PolarHBondContact O-N 2.97Å; K112-L115 PolarHBondContact O-N 3.4Å; D113-L115 VanDerWaalsContact C-N 3.32Å; D113-L115 PolarHBondContact O-N 3.46Å; L115-R119 WeakPolarHBondContact O-CB 3.46Å; L115-R119 VanDerWaalsContact O-CG 3.31Å; L115-R119 WeakPolarHBondContact O-CG 3.35Å; L115-R119 PolarHBondContact O-N 2.89Å |
| 116 | R | 95.1 | Very high | 93.1 | Very high | 139 Ų | 139 | 90.1 Ų | 90.1 | 53% | 0.525 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 175.1 | -77.3 | -172.9 | -83.9 | -142.4 | -9.8 | 110.6 | E109 K112 D113 R119 A120 | E109-R116 IonicContact OE1-CZ 3.91Å; E109-R116 IonicContact OE1-NH2 3.25Å; E109-R116 PolarHBondContact OE1-NH2 3.31Å; K112-R116 WeakPolarHBondContact O-CG 3.48Å; K112-R116 PolarHBondContact O-N 2.96Å; D113-R116 WeakPolarHBondContact O-CB 3.23Å; D113-R116 PolarHBondContact O-N 3.45Å; D113-R116 VanDerWaalsContact O-N 3.15Å; D113-R116 IonicContact OD1-CZ 3.08Å; D113-R116 IonicContact OD1-NE 2.61Å; D113-R116 PolarHBondContact OD1-NE 2.83Å; D113-R116 IonicContact OD1-NH2 3.26Å; D113-R116 PolarHBondContact OD1-NH2 3.49Å; R116-R119 PolarHBondContact O-N 2.87Å; R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 3.35Å |
| 117 | H | 95.8 | Very high | 93.5 | Very high | 120 Ų | 120 | 90.3 Ų | 90.3 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -64.5 | -45.5 | 177.7 | -80.2 | -57.4 | 0 | 0 | 0 | 112.8 | D113 D114 R119 A120 N121 | D113-H117 PolarHBondContact O-CD2 3.15Å; D113-H117 VanDerWaalsContact O-CD2 3.29Å; D113-H117 PolarHBondContact O-N 2.93Å; D114-H117 PolarHBondContact O-N 3.35Å; H117-R119 VanDerWaalsContact C-N 3.34Å; H117-R119 PolarHBondContact O-N 3.29Å; H117-A120 PolarHBondContact O-N 2.88Å; H117-N121 VanDerWaalsContact O-CG 3.22Å; H117-N121 PolarHBondContact O-N 2.6Å; H117-N121 PolarHBondContact O-ND2 3.36Å |
| 118 | M | 95.3 | Very high | 94 | Very high | 132 Ų | 132 | 95.4 Ų | 95.4 | 65% | 0.65 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.9 | -43.7 | 176.5 | -78.2 | -169.5 | 66.9 | 0 | 0 | 111.9 | D114 N121 A122 | D114-M118 WeakPolarHBondContact O-CB 3.33Å; D114-M118 WeakPolarHBondContact O-CG 3.38Å; D114-M118 PolarHBondContact O-N 2.96Å; M118-N121 PolarHBondContact O-N 2.89Å; M118-A122 WeakPolarHBondContact O-CB 3.46Å; M118-A122 PolarHBondContact O-N 2.83Å |
| 119 | R | 95.7 | Very high | 94.3 | Very high | 185 Ų | 185 | 96.3 Ų | 96.3 | 70% | 0.698 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61.8 | -46.9 | 175.7 | -76.5 | 178.6 | -174.4 | -175.5 | 3.1 | 111.9 | L115 R116 H117 N121 A122 E123 | L115-R119 WeakPolarHBondContact O-CB 3.46Å; L115-R119 VanDerWaalsContact O-CG 3.31Å; L115-R119 WeakPolarHBondContact O-CG 3.35Å; L115-R119 PolarHBondContact O-N 2.89Å; R116-R119 PolarHBondContact O-N 2.87Å; H117-R119 VanDerWaalsContact C-N 3.34Å; H117-R119 PolarHBondContact O-N 3.29Å; R119-N121 VanDerWaalsContact C-N 3.29Å; R119-N121 PolarHBondContact O-N 3.2Å; R119-A122 PolarHBondContact O-N 3.39Å; R119-E123 WeakPolarHBondContact O-CB 3.32Å; R119-E123 PolarHBondContact O-N 2.87Å |
| 120 | A | 94.7 | Very high | 94.6 | Very high | 44 Ų | 44 | 97.1 Ų | 97.1 | 36% | 0.364 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.8 | -35.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R116 H117 R124 | R116-A120 WeakPolarHBondContact O-CB 3.37Å; R116-A120 PolarHBondContact O-N 3.35Å; H117-A120 PolarHBondContact O-N 2.88Å; A120-R124 WeakPolarHBondContact O-CG 3.35Å; A120-R124 PolarHBondContact O-N 2.96Å |
| 121 | N | 95.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 97.5 Ų | 97.5 | 37% | 0.369 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.3 | -52.5 | 173 | -69.7 | -17.1 | 0 | 0 | 0 | 111 | H117 M118 R119 E123 R124 D125 | H117-N121 VanDerWaalsContact O-CG 3.22Å; H117-N121 PolarHBondContact O-N 2.6Å; H117-N121 PolarHBondContact O-ND2 3.36Å; M118-N121 PolarHBondContact O-N 2.89Å; R119-N121 VanDerWaalsContact C-N 3.29Å; R119-N121 PolarHBondContact O-N 3.2Å; N121-E123 VanDerWaalsContact C-N 3.29Å; N121-E123 PolarHBondContact O-N 3.47Å; N121-R124 WeakPolarHBondContact O-CB 3.42Å; N121-R124 PolarHBondContact O-N 3.2Å; N121-R124 VanDerWaalsContact O-N 3.13Å; N121-R124 PolarHBondContact OD1-NH2 3.09Å; N121-D125 PolarHBondContact O-N 3.41Å |
| 122 | A | 95.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 98.2 Ų | 98.2 | 49% | 0.488 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.6 | -40 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | M118 R119 D125 M126 | M118-A122 WeakPolarHBondContact O-CB 3.46Å; M118-A122 PolarHBondContact O-N 2.83Å; R119-A122 PolarHBondContact O-N 3.39Å; A122-D125 PolarHBondContact O-N 3.14Å; A122-M126 VanDerWaalsContact O-CB 3.3Å; A122-M126 WeakPolarHBondContact O-CB 3.31Å; A122-M126 PolarHBondContact O-N 3.26Å |
| 123 | E | 95 | Very high | 95.4 | Very high | 107 Ų | 107 | 98.3 Ų | 98.3 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 176.2 | -175.2 | 172.2 | -165 | 0 | 0 | 112 | R119 N121 M126 Q127 | R119-E123 WeakPolarHBondContact O-CB 3.32Å; R119-E123 PolarHBondContact O-N 2.87Å; N121-E123 VanDerWaalsContact C-N 3.29Å; N121-E123 PolarHBondContact O-N 3.47Å; E123-M126 PolarHBondContact O-N 3.08Å; E123-Q127 WeakPolarHBondContact O-CB 3.33Å; E123-Q127 VanDerWaalsContact O-CG 3.27Å; E123-Q127 WeakPolarHBondContact O-CG 3.35Å; E123-Q127 PolarHBondContact O-N 2.88Å |
| 124 | R | 95.7 | Very high | 95.5 | Very high | 137 Ų | 137 | 101 Ų | 101 | 52% | 0.517 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.9 | -43.5 | 173.9 | -83.3 | -167.8 | -81.4 | 98.3 | -12.9 | 112.4 | A120 N121 Q127 H128 | A120-R124 WeakPolarHBondContact O-CG 3.35Å; A120-R124 PolarHBondContact O-N 2.96Å; N121-R124 WeakPolarHBondContact O-CB 3.42Å; N121-R124 PolarHBondContact O-N 3.2Å; N121-R124 VanDerWaalsContact O-N 3.13Å; N121-R124 PolarHBondContact OD1-NH2 3.09Å; R124-Q127 PolarHBondContact O-N 3.37Å; R124-H128 WeakPolarHBondContact O-CB 3.3Å; R124-H128 PolarHBondContact O-N 3.16Å |
| 125 | D | 96.3 | Very high | 95.5 | Very high | 86 Ų | 86 | 101 Ų | 101 | 46% | 0.46 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -68 | -40 | -179.3 | -65.7 | -16.4 | 0 | 0 | 0 | 110.7 | N121 A122 H128 H129 | N121-D125 PolarHBondContact O-N 3.41Å; A122-D125 PolarHBondContact O-N 3.14Å; D125-H128 WeakPolarHBondContact O-CB 3.39Å; D125-H128 PolarHBondContact O-N 2.93Å; D125-H129 PolarHBondContact O-CD2 3.44Å; D125-H129 PolarHBondContact O-N 3.33Å |
| 126 | M | 96.6 | Very high | 95.6 | Very high | 99 Ų | 99 | 99.1 Ų | 99.1 | 49% | 0.488 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.1 | -52.4 | 173.2 | -175 | 178.5 | 74.6 | 0 | 0 | 111.3 | A122 E123 H128 H129 E130 | A122-M126 VanDerWaalsContact O-CB 3.3Å; A122-M126 WeakPolarHBondContact O-CB 3.31Å; A122-M126 PolarHBondContact O-N 3.26Å; E123-M126 PolarHBondContact O-N 3.08Å; M126-H128 PolarHBondContact O-N 3.49Å; M126-H129 PolarHBondContact O-N 2.89Å; M126-H129 VanDerWaalsContact O-N 3.14Å; M126-E130 WeakPolarHBondContact O-CG 3.41Å; M126-E130 PolarHBondContact O-N 3.34Å |
| 127 | Q | 94.8 | Very high | 95.7 | Very high | 100 Ų | 100 | 98 Ų | 98 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -58.6 | -35.8 | 176.8 | -72.5 | 173.7 | 6.5 | 0 | 0 | 112.2 | E123 R124 A131 | E123-Q127 WeakPolarHBondContact O-CB 3.33Å; E123-Q127 VanDerWaalsContact O-CG 3.27Å; E123-Q127 WeakPolarHBondContact O-CG 3.35Å; E123-Q127 PolarHBondContact O-N 2.88Å; R124-Q127 PolarHBondContact O-N 3.37Å; Q127-A131 WeakPolarHBondContact O-CB 3.41Å; Q127-A131 PolarHBondContact O-N 3.25Å |
| 128 | H | 95.6 | Very high | 95.5 | Very high | 113 Ų | 113 | 96.9 Ų | 96.9 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.8 | -45.8 | 176.4 | -177.7 | 53.9 | 0 | 0 | 0 | 112 | R124 D125 M126 A131 I132 | R124-H128 WeakPolarHBondContact O-CB 3.3Å; R124-H128 PolarHBondContact O-N 3.16Å; D125-H128 WeakPolarHBondContact O-CB 3.39Å; D125-H128 PolarHBondContact O-N 2.93Å; M126-H128 PolarHBondContact O-N 3.49Å; H128-A131 PolarHBondContact O-N 2.94Å; H128-I132 WeakPolarHBondContact NE2-CD1 3.37Å; H128-I132 WeakPolarHBondContact O-CG1 3.46Å; H128-I132 PolarHBondContact O-N 2.95Å; H128-I132 VanDerWaalsContact O-N 3.08Å |
| 129 | H | 96.9 | Very high | 95.5 | Very high | 110 Ų | 110 | 97 Ų | 97 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.2 | -40.5 | 177.1 | -70.9 | -47.8 | 0 | 0 | 0 | 112.4 | D125 M126 A131 I132 I133 | D125-H129 PolarHBondContact O-CD2 3.44Å; D125-H129 PolarHBondContact O-N 3.33Å; M126-H129 PolarHBondContact O-N 2.89Å; M126-H129 VanDerWaalsContact O-N 3.14Å; H129-A131 VanDerWaalsContact C-N 3.34Å; H129-A131 PolarHBondContact O-N 3.38Å; H129-I132 PolarHBondContact O-N 3.47Å; H129-I133 WeakPolarHBondContact O-CG1 3.47Å; H129-I133 PolarHBondContact O-N 2.95Å |
| 130 | E | 96.9 | Very high | 95.5 | Very high | 95 Ų | 95 | 97.1 Ų | 97.1 | 44% | 0.444 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -56.5 | -48 | 172.4 | -74.1 | 173.4 | 169.9 | 0 | 0 | 111.1 | M126 I132 I133 E134 | M126-E130 WeakPolarHBondContact O-CG 3.41Å; M126-E130 PolarHBondContact O-N 3.34Å; E130-I132 VanDerWaalsContact C-N 3.3Å; E130-I132 PolarHBondContact O-N 3.19Å; E130-I133 PolarHBondContact O-N 3.26Å; E130-I133 VanDerWaalsContact O-N 3.16Å; E130-E134 WeakPolarHBondContact O-CG 3.41Å; E130-E134 PolarHBondContact O-N 2.94Å |
| 131 | A | 94.3 | Very high | 95.5 | Very high | 54 Ų | 54 | 99.2 Ų | 99.2 | 45% | 0.446 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.6 | -36.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q127 H128 H129 E135 | Q127-A131 WeakPolarHBondContact O-CB 3.41Å; Q127-A131 PolarHBondContact O-N 3.25Å; H128-A131 PolarHBondContact O-N 2.94Å; H129-A131 VanDerWaalsContact C-N 3.34Å; H129-A131 PolarHBondContact O-N 3.38Å; A131-E135 WeakPolarHBondContact O-CB 3.27Å; A131-E135 PolarHBondContact O-N 2.79Å |
| 132 | I | 96.4 | Very high | 95.3 | Very high | 76 Ų | 76 | 100.2 Ų | 100.2 | 39% | 0.39 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.5 | -43.7 | 175.2 | -69.7 | 166 | 0 | 0 | 0 | 110.8 | H128 H129 E130 E135 A136 | H128-I132 WeakPolarHBondContact NE2-CD1 3.37Å; H128-I132 WeakPolarHBondContact O-CG1 3.46Å; H128-I132 PolarHBondContact O-N 2.95Å; H128-I132 VanDerWaalsContact O-N 3.08Å; H129-I132 PolarHBondContact O-N 3.47Å; E130-I132 VanDerWaalsContact C-N 3.3Å; E130-I132 PolarHBondContact O-N 3.19Å; I132-E135 PolarHBondContact O-N 3.13Å; I132-A136 WeakPolarHBondContact O-CB 3.46Å; I132-A136 PolarHBondContact O-N 2.83Å |
| 133 | I | 96.7 | Very high | 95.2 | Very high | 94 Ų | 94 | 101.5 Ų | 101.5 | 48% | 0.482 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.8 | -49.2 | 179.4 | -68.4 | 166.8 | 0 | 0 | 0 | 109.9 | H129 E130 E135 A136 E137 | H129-I133 WeakPolarHBondContact O-CG1 3.47Å; H129-I133 PolarHBondContact O-N 2.95Å; E130-I133 PolarHBondContact O-N 3.26Å; E130-I133 VanDerWaalsContact O-N 3.16Å; I133-E135 VanDerWaalsContact C-N 3.31Å; I133-E135 PolarHBondContact O-N 2.61Å; I133-A136 WeakPolarHBondContact O-CB 3.41Å; I133-A136 PolarHBondContact O-N 3.31Å; I133-A136 VanDerWaalsContact O-N 3.09Å; I133-E137 HydrophobicContact CG2-CG 4.44Å; I133-E137 WeakPolarHBondContact O-CG 3.45Å; I133-E137 PolarHBondContact O-N 3.01Å |
| 134 | E | 95.1 | Very high | 95.3 | Very high | 119 Ų | 119 | 98.7 Ų | 98.7 | 56% | 0.556 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -57.9 | -43 | 176.9 | -72.7 | -176 | 179.6 | 0 | 0 | 111.8 | E130 A136 E137 I138 | E130-E134 WeakPolarHBondContact O-CG 3.41Å; E130-E134 PolarHBondContact O-N 2.94Å; E134-A136 PolarHBondContact O-N 3.44Å; E134-E137 PolarHBondContact O-N 3.48Å; E134-I138 VanDerWaalsContact O-CG1 3.26Å; E134-I138 WeakPolarHBondContact O-CG1 3.47Å; E134-I138 PolarHBondContact O-N 2.94Å |
| 135 | E | 94.1 | Very high | 95.1 | Very high | 90 Ų | 90 | 99.1 Ų | 99.1 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 175.6 | -175.6 | -176.3 | -143.5 | 0 | 0 | 111.7 | A131 I132 I133 I138 R139 | A131-E135 WeakPolarHBondContact O-CB 3.27Å; A131-E135 PolarHBondContact O-N 2.79Å; I132-E135 PolarHBondContact O-N 3.13Å; I133-E135 VanDerWaalsContact C-N 3.31Å; I133-E135 PolarHBondContact O-N 2.61Å; E135-I138 PolarHBondContact O-N 2.97Å; E135-R139 WeakPolarHBondContact O-CB 3.5Å; E135-R139 WeakPolarHBondContact O-CG 3.42Å; E135-R139 PolarHBondContact O-N 2.6Å; E135-R139 IonicContact OE1-CZ 3.7Å; E135-R139 IonicContact OE1-NE 2.72Å; E135-R139 IonicContact OE1-NH1 2.87Å; E135-R139 IonicContact OE1-NH2 2.83Å; E135-R139 PolarHBondContact OE1-NH2 3.38Å; E135-R139 IonicContact OE2-CZ 3.76Å; E135-R139 VanDerWaalsContact OE2-CZ 3.25Å; E135-R139 IonicContact OE2-NH1 3.21Å; E135-R139 PolarHBondContact OE2-NH1 3.01Å; E135-R139 IonicContact OE2-NH2 3.63Å; E135-R139 PolarHBondContact OE2-NH2 3.03Å |
| 136 | A | 95.6 | Very high | 94.9 | Very high | 53 Ų | 53 | 97 Ų | 97 | 44% | 0.438 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | I132 I133 E134 R139 W140 | I132-A136 WeakPolarHBondContact O-CB 3.46Å; I132-A136 PolarHBondContact O-N 2.83Å; I133-A136 WeakPolarHBondContact O-CB 3.41Å; I133-A136 PolarHBondContact O-N 3.31Å; I133-A136 VanDerWaalsContact O-N 3.09Å; E134-A136 PolarHBondContact O-N 3.44Å; A136-R139 PolarHBondContact O-N 2.96Å; A136-W140 VanDerWaalsContact O-CB 3.32Å; A136-W140 WeakPolarHBondContact O-CB 3.42Å; A136-W140 PolarHBondContact O-N 3.45Å |
| 137 | E | 96.3 | Very high | 94.8 | Very high | 116 Ų | 116 | 95.8 Ų | 95.8 | 54% | 0.542 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -44.6 | 175.4 | -72.3 | -180 | 179 | 0 | 0 | 112.1 | I133 E134 W140 N141 | I133-E137 HydrophobicContact CG2-CG 4.44Å; I133-E137 WeakPolarHBondContact O-CG 3.45Å; I133-E137 PolarHBondContact O-N 3.01Å; E134-E137 PolarHBondContact O-N 3.48Å; E137-W140 PolarHBondContact O-N 3.05Å; E137-N141 WeakPolarHBondContact O-CB 3.43Å; E137-N141 VanDerWaalsContact O-CG 3.3Å; E137-N141 PolarHBondContact O-N 2.81Å; E137-N141 PolarHBondContact O-ND2 3.27Å |
| 138 | I | 93.1 | Very high | 94.7 | Very high | 96 Ų | 96 | 96.6 Ų | 96.6 | 49% | 0.492 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 175.7 | -68.4 | 165.6 | 0 | 0 | 0 | 110 | E134 E135 W140 N141 E142 | E134-I138 VanDerWaalsContact O-CG1 3.26Å; E134-I138 WeakPolarHBondContact O-CG1 3.47Å; E134-I138 PolarHBondContact O-N 2.94Å; E135-I138 PolarHBondContact O-N 2.97Å; I138-W140 PolarHBondContact O-N 3.41Å; I138-N141 PolarHBondContact O-N 3.07Å; I138-E142 HydrophobicContact CG2-CG 4.49Å; I138-E142 WeakPolarHBondContact O-CG 3.33Å; I138-E142 PolarHBondContact O-N 3.48Å |
| 139 | R | 94.2 | Very high | 94.5 | Very high | 136 Ų | 136 | 94.3 Ų | 94.3 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 178.2 | -76.8 | 177.6 | 176.5 | 149.3 | -1.9 | 112 | E135 A136 N141 E142 V143 | E135-R139 WeakPolarHBondContact O-CB 3.5Å; E135-R139 WeakPolarHBondContact O-CG 3.42Å; E135-R139 PolarHBondContact O-N 2.6Å; E135-R139 IonicContact OE1-CZ 3.7Å; E135-R139 IonicContact OE1-NE 2.72Å; E135-R139 IonicContact OE1-NH1 2.87Å; E135-R139 IonicContact OE1-NH2 2.83Å; E135-R139 PolarHBondContact OE1-NH2 3.38Å; E135-R139 IonicContact OE2-CZ 3.76Å; E135-R139 VanDerWaalsContact OE2-CZ 3.25Å; E135-R139 IonicContact OE2-NH1 3.21Å; E135-R139 PolarHBondContact OE2-NH1 3.01Å; E135-R139 IonicContact OE2-NH2 3.63Å; E135-R139 PolarHBondContact OE2-NH2 3.03Å; A136-R139 PolarHBondContact O-N 2.96Å; R139-N141 PolarHBondContact O-N 2.86Å; R139-E142 PolarHBondContact O-N 2.88Å; R139-V143 WeakPolarHBondContact O-CG2 3.23Å; R139-V143 PolarHBondContact O-N 3.33Å |
| 140 | W | 96 | Very high | 94.2 | Very high | 186 Ų | 186 | 92.6 Ų | 92.6 | 71% | 0.705 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -58.6 | -48.6 | 177.1 | 177.8 | -100.7 | 0 | 0 | 0 | 111.2 | A136 E137 I138 E142 V143 A144 | A136-W140 VanDerWaalsContact O-CB 3.32Å; A136-W140 WeakPolarHBondContact O-CB 3.42Å; A136-W140 PolarHBondContact O-N 3.45Å; E137-W140 PolarHBondContact O-N 3.05Å; I138-W140 PolarHBondContact O-N 3.41Å; W140-E142 VanDerWaalsContact C-N 3.33Å; W140-E142 PolarHBondContact O-N 3.45Å; W140-V143 PolarHBondContact O-N 3.11Å; W140-A144 WeakPolarHBondContact O-CB 3.39Å; W140-A144 PolarHBondContact O-N 2.86Å |
| 141 | N | 95.3 | Very high | 94 | Very high | 88 Ų | 88 | 92.4 Ų | 92.4 | 47% | 0.471 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 177.4 | -72.4 | -39.7 | 0 | 0 | 0 | 112.7 | E137 I138 R139 R145 | E137-N141 WeakPolarHBondContact O-CB 3.43Å; E137-N141 VanDerWaalsContact O-CG 3.3Å; E137-N141 PolarHBondContact O-N 2.81Å; E137-N141 PolarHBondContact O-ND2 3.27Å; I138-N141 PolarHBondContact O-N 3.07Å; R139-N141 PolarHBondContact O-N 2.86Å; N141-R145 WeakPolarHBondContact O-CB 3.26Å; N141-R145 VanDerWaalsContact O-CG 3.29Å; N141-R145 WeakPolarHBondContact O-CG 3.34Å; N141-R145 PolarHBondContact O-N 2.94Å; N141-R145 VanDerWaalsContact O-N 3.11Å; N141-R145 PolarHBondContact O-NE 3.26Å |
| 142 | E | 90.9 | Very high | 93.7 | Very high | 91 Ų | 91 | 95.7 Ų | 95.7 | 43% | 0.425 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66 | -46.1 | 173.8 | -74.5 | -179.1 | 171.9 | 0 | 0 | 112.5 | I138 R139 W140 R145 A146 | I138-E142 HydrophobicContact CG2-CG 4.49Å; I138-E142 WeakPolarHBondContact O-CG 3.33Å; I138-E142 PolarHBondContact O-N 3.48Å; R139-E142 PolarHBondContact O-N 2.88Å; W140-E142 VanDerWaalsContact C-N 3.33Å; W140-E142 PolarHBondContact O-N 3.45Å; E142-R145 PolarHBondContact O-N 3.11Å; E142-A146 WeakPolarHBondContact O-CB 3.29Å; E142-A146 PolarHBondContact O-N 3.07Å |
| 143 | V | 94.3 | Very high | 93.2 | Very high | 85 Ų | 85 | 95.3 Ų | 95.3 | 52% | 0.515 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.4 | -46.6 | 178.1 | 171.6 | 0 | 0 | 0 | 0 | 110.7 | R139 W140 R145 A146 V147 | R139-V143 WeakPolarHBondContact O-CG2 3.23Å; R139-V143 PolarHBondContact O-N 3.33Å; W140-V143 PolarHBondContact O-N 3.11Å; V143-R145 VanDerWaalsContact C-N 3.31Å; V143-R145 PolarHBondContact O-N 2.81Å; V143-A146 PolarHBondContact O-N 3.38Å; V143-A146 VanDerWaalsContact O-N 3.12Å; V143-V147 HydrophobicContact CG1-CG2 4.3Å; V143-V147 WeakPolarHBondContact O-CG2 3.37Å; V143-V147 PolarHBondContact O-N 2.98Å |
| 144 | A | 96.2 | Very high | 92.8 | Very high | 49 Ų | 49 | 91.2 Ų | 91.2 | 41% | 0.405 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -57.9 | -44.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | W140 H148 | W140-A144 WeakPolarHBondContact O-CB 3.39Å; W140-A144 PolarHBondContact O-N 2.86Å; A144-H148 WeakPolarHBondContact O-CB 3.31Å; A144-H148 PolarHBondContact O-N 2.9Å |
| 145 | R | 92.9 | Very high | 92.4 | Very high | 146 Ų | 146 | 90.2 Ų | 90.2 | 55% | 0.551 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.3 | -44.8 | 173.3 | -75.6 | -176 | -64.3 | -163.9 | 3.2 | 112.2 | N141 E142 V143 V147 H148 E149 | N141-R145 WeakPolarHBondContact O-CB 3.26Å; N141-R145 VanDerWaalsContact O-CG 3.29Å; N141-R145 WeakPolarHBondContact O-CG 3.34Å; N141-R145 PolarHBondContact O-N 2.94Å; N141-R145 VanDerWaalsContact O-N 3.11Å; N141-R145 PolarHBondContact O-NE 3.26Å; E142-R145 PolarHBondContact O-N 3.11Å; V143-R145 VanDerWaalsContact C-N 3.31Å; V143-R145 PolarHBondContact O-N 2.81Å; R145-V147 VanDerWaalsContact C-N 3.35Å; R145-V147 PolarHBondContact O-N 2.99Å; R145-H148 PolarHBondContact O-N 3.26Å; R145-E149 WeakPolarHBondContact O-CB 3.49Å; R145-E149 WeakPolarHBondContact O-CG 3.36Å; R145-E149 PolarHBondContact O-N 3.16Å |
| 146 | A | 91.1 | Very high | 92 | Very high | 41 Ų | 41 | 93 Ų | 93 | 34% | 0.339 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.5 | -40.7 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E142 V143 F150 | E142-A146 WeakPolarHBondContact O-CB 3.29Å; E142-A146 PolarHBondContact O-N 3.07Å; V143-A146 PolarHBondContact O-N 3.38Å; V143-A146 VanDerWaalsContact O-N 3.12Å; A146-F150 VanDerWaalsContact O-CB 3.23Å; A146-F150 WeakPolarHBondContact O-CB 3.49Å; A146-F150 PolarHBondContact O-N 3.4Å |
| 147 | V | 93.6 | Very high | 91.4 | Very high | 74 Ų | 74 | 92.8 Ų | 92.8 | 45% | 0.448 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -62 | -49.5 | 174.1 | 171.3 | 0 | 0 | 0 | 0 | 110.3 | V143 R145 E149 F150 E151 | V143-V147 HydrophobicContact CG1-CG2 4.3Å; V143-V147 WeakPolarHBondContact O-CG2 3.37Å; V143-V147 PolarHBondContact O-N 2.98Å; R145-V147 VanDerWaalsContact C-N 3.35Å; R145-V147 PolarHBondContact O-N 2.99Å; V147-E149 PolarHBondContact O-N 3.37Å; V147-F150 PolarHBondContact O-N 3.39Å; V147-E151 WeakPolarHBondContact O-CG 3.49Å; V147-E151 PolarHBondContact O-N 3.42Å |
| 148 | H | 93.7 | Very high | 90.9 | Very high | 117 Ų | 117 | 88.3 Ų | 88.3 | 54% | 0.542 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.4 | -45.3 | 179.2 | -176.1 | 75.2 | 0 | 0 | 0 | 112.7 | A144 R145 E151 K152 | A144-H148 WeakPolarHBondContact O-CB 3.31Å; A144-H148 PolarHBondContact O-N 2.9Å; R145-H148 PolarHBondContact O-N 3.26Å; H148-E151 PolarHBondContact O-N 2.92Å; H148-K152 VanDerWaalsContact O-CB 3.29Å; H148-K152 WeakPolarHBondContact O-CB 3.45Å; H148-K152 PolarHBondContact O-N 3.26Å |
| 149 | E | 90.9 | Very high | 90.2 | Very high | 65 Ų | 65 | 87.7 Ų | 87.7 | 30% | 0.304 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -61.1 | -44.4 | 175.5 | -76.4 | 179.9 | -166.4 | 0 | 0 | 111.1 | R145 V147 K152 D153 R181 | R145-E149 WeakPolarHBondContact O-CB 3.49Å; R145-E149 WeakPolarHBondContact O-CG 3.36Å; R145-E149 PolarHBondContact O-N 3.16Å; V147-E149 PolarHBondContact O-N 3.37Å; E149-K152 PolarHBondContact O-N 3.12Å; E149-D153 VanDerWaalsContact O-CB 3.27Å; E149-D153 WeakPolarHBondContact O-CB 3.48Å; E149-D153 PolarHBondContact O-N 3.28Å; E149-R181 IonicContact OE2-CZ 3.02Å; E149-R181 IonicContact OE2-NH1 3.09Å; E149-R181 PolarHBondContact OE2-NH1 3.49Å; E149-R181 IonicContact OE2-NH2 3.31Å |
| 150 | F | 91.4 | Very high | 89.3 | Confident | 73 Ų | 73 | 90.8 Ų | 90.8 | 32% | 0.32 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64.1 | -44.5 | 178.3 | -175.4 | -99.6 | 0 | 0 | 0 | 112.1 | A146 V147 K152 I154 L155 Y174 | A146-F150 VanDerWaalsContact O-CB 3.23Å; A146-F150 WeakPolarHBondContact O-CB 3.49Å; A146-F150 PolarHBondContact O-N 3.4Å; V147-F150 PolarHBondContact O-N 3.39Å; F150-K152 VanDerWaalsContact C-N 3.33Å; F150-K152 PolarHBondContact O-N 2.86Å; F150-I154 HydrophobicContact CD2-CB 3.89Å; F150-I154 HydrophobicContact CD2-CG1 3.77Å; F150-I154 HydrophobicContact CD2-CG2 4.28Å; F150-I154 HydrophobicContact CE1-CG2 4.4Å; F150-I154 HydrophobicContact CE2-CB 3.8Å; F150-I154 HydrophobicContact CE2-CG1 3.84Å; F150-I154 HydrophobicContact CE2-CG2 3.66Å; F150-I154 HydrophobicContact CG-CB 4.37Å; F150-I154 HydrophobicContact CZ-CB 4.18Å; F150-I154 HydrophobicContact CZ-CG2 3.73Å; F150-I154 WeakPolarHBondContact O-CA 3.37Å; F150-I154 VanDerWaalsContact O-CB 3.26Å; F150-I154 WeakPolarHBondContact O-CB 3.33Å; F150-I154 PolarHBondContact O-N 3.3Å; F150-L155 HydrophobicContact CD1-CD1 3.99Å; F150-L155 HydrophobicContact CD1-CG 4.15Å; F150-L155 HydrophobicContact CE1-CD1 3.97Å; F150-L155 HydrophobicContact CE1-CD2 4.37Å; F150-L155 HydrophobicContact CE1-CG 3.86Å; F150-L155 PolarHBondContact O-N 3.3Å; F150-L155 VanDerWaalsContact O-N 3.11Å; F150-Y174 HydrophobicContact CD2-CD1 4.09Å; F150-Y174 AromaticContact CD2-CE1 3.6Å; F150-Y174 HydrophobicContact CD2-CE1 3.6Å; F150-Y174 HydrophobicContact CD2-CE2 4.41Å; F150-Y174 AromaticContact CD2-CZ 3.78Å; F150-Y174 HydrophobicContact CE2-CD1 4.36Å; F150-Y174 HydrophobicContact CE2-CE1 4.19Å |
| 151 | E | 91.9 | Very high | 88.4 | Confident | 91 Ų | 91 | 87.7 Ų | 87.7 | 43% | 0.425 | 45% | 0.445 | S | S | . | . | I | π-helix | trans | -59 | -45.5 | 175.6 | -77.2 | -179.7 | 177 | 0 | 0 | 112 | V147 H148 L155 K156 | V147-E151 WeakPolarHBondContact O-CG 3.49Å; V147-E151 PolarHBondContact O-N 3.42Å; H148-E151 PolarHBondContact O-N 2.92Å; E151-L155 HydrophobicContact CB-CD1 4.45Å; E151-L155 HydrophobicContact CG-CD1 3.86Å; E151-L155 PolarHBondContact O-N 3.45Å; E151-K156 WeakPolarHBondContact O-CG 3.42Å; E151-K156 PolarHBondContact O-N 2.88Å |
| 152 | K | 89.2 | Confident | 87.4 | Confident | 123 Ų | 123 | 92.8 Ų | 92.8 | 54% | 0.535 | 46% | 0.463 | S | S | . | . | I | π-helix | trans | -68.1 | -52.3 | -179.3 | -178.5 | -173.4 | 166.9 | -175.8 | 0 | 112.3 | H148 E149 F150 | H148-K152 VanDerWaalsContact O-CB 3.29Å; H148-K152 WeakPolarHBondContact O-CB 3.45Å; H148-K152 PolarHBondContact O-N 3.26Å; E149-K152 PolarHBondContact O-N 3.12Å; F150-K152 VanDerWaalsContact C-N 3.33Å; F150-K152 PolarHBondContact O-N 2.86Å |
| 153 | D | 85.1 | Confident | 86.6 | Confident | 69 Ų | 69 | 92.2 Ų | 92.2 | 37% | 0.369 | 48% | 0.481 | S | S | . | . | I | π-helix | trans | -89.4 | -28.3 | -165.7 | -64 | -19.1 | 0 | 0 | 0 | 112.4 | E149 A157 K170 | E149-D153 VanDerWaalsContact O-CB 3.27Å; E149-D153 WeakPolarHBondContact O-CB 3.48Å; E149-D153 PolarHBondContact O-N 3.28Å; D153-A157 VanDerWaalsContact O-CB 3.24Å; D153-A157 WeakPolarHBondContact O-CB 3.26Å; D153-K170 WeakPolarHBondContact O-CE 3.41Å; D153-K170 PolarHBondContact O-NZ 3.19Å |
| 154 | I | 88.8 | Confident | 86.2 | Confident | 7 Ų | 7 | 90 Ų | 90 | 4% | 0.036 | 47% | 0.47 | C | S | . | . | I | π-helix | trans | -105.6 | -65.7 | -179.4 | -59.7 | -55.4 | 0 | 0 | 0 | 111.5 | F150 K156 A157 I158 K170 V171 Y174 | F150-I154 HydrophobicContact CD2-CB 3.89Å; F150-I154 HydrophobicContact CD2-CG1 3.77Å; F150-I154 HydrophobicContact CD2-CG2 4.28Å; F150-I154 HydrophobicContact CE1-CG2 4.4Å; F150-I154 HydrophobicContact CE2-CB 3.8Å; F150-I154 HydrophobicContact CE2-CG1 3.84Å; F150-I154 HydrophobicContact CE2-CG2 3.66Å; F150-I154 HydrophobicContact CG-CB 4.37Å; F150-I154 HydrophobicContact CZ-CB 4.18Å; F150-I154 HydrophobicContact CZ-CG2 3.73Å; F150-I154 WeakPolarHBondContact O-CA 3.37Å; F150-I154 VanDerWaalsContact O-CB 3.26Å; F150-I154 WeakPolarHBondContact O-CB 3.33Å; F150-I154 PolarHBondContact O-N 3.3Å; I154-K156 PolarHBondContact O-N 3.04Å; I154-A157 PolarHBondContact O-N 3.37Å; I154-I158 HydrophobicContact CD1-CD1 4.49Å; I154-I158 HydrophobicContact CG2-CD1 3.84Å; I154-I158 WeakPolarHBondContact O-CB 3.38Å; I154-I158 WeakPolarHBondContact O-CG1 3.33Å; I154-I158 PolarHBondContact O-N 3.05Å; I154-K170 HydrophobicContact CD1-CG 3.93Å; I154-V171 HydrophobicContact CG2-CG2 3.9Å; I154-Y174 HydrophobicContact CD1-CD2 4.38Å; I154-Y174 HydrophobicContact CD1-CG 4.08Å; I154-Y174 HydrophobicContact CG1-CD1 4.37Å; I154-Y174 HydrophobicContact CG1-CD2 4.04Å; I154-Y174 HydrophobicContact CG1-CG 3.9Å |
| 155 | L | 86 | Confident | 85.7 | Confident | 98 Ų | 98 | 94.1 Ų | 94.1 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | I | π-helix | trans | -62.4 | -48.8 | -169.7 | -73.9 | 167.2 | 0 | 0 | 0 | 112.4 | F150 E151 A157 S159 | F150-L155 HydrophobicContact CD1-CD1 3.99Å; F150-L155 HydrophobicContact CD1-CG 4.15Å; F150-L155 HydrophobicContact CE1-CD1 3.97Å; F150-L155 HydrophobicContact CE1-CD2 4.37Å; F150-L155 HydrophobicContact CE1-CG 3.86Å; F150-L155 PolarHBondContact O-N 3.3Å; F150-L155 VanDerWaalsContact O-N 3.11Å; E151-L155 HydrophobicContact CB-CD1 4.45Å; E151-L155 HydrophobicContact CG-CD1 3.86Å; E151-L155 PolarHBondContact O-N 3.45Å; L155-A157 PolarHBondContact O-N 3.4Å; L155-S159 WeakPolarHBondContact O-CB 3.29Å; L155-S159 PolarHBondContact O-N 3.24Å |
| 156 | K | 86.5 | Confident | 85.3 | Confident | 148 Ų | 148 | 91.9 Ų | 91.9 | 64% | 0.643 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.3 | -41.1 | 177.5 | -71.4 | 179.2 | -173.6 | 175.5 | 0 | 112 | E151 I154 I158 S159 | E151-K156 WeakPolarHBondContact O-CG 3.42Å; E151-K156 PolarHBondContact O-N 2.88Å; I154-K156 PolarHBondContact O-N 3.04Å; K156-I158 PolarHBondContact O-N 2.91Å; K156-S159 PolarHBondContact O-OG 2.93Å |
| 157 | A | 83.1 | Confident | 85 | Confident | 50 Ų | 50 | 90.3 Ų | 90.3 | 41% | 0.413 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -73 | -26.3 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | D153 I154 L155 K170 | D153-A157 VanDerWaalsContact O-CB 3.24Å; D153-A157 WeakPolarHBondContact O-CB 3.26Å; I154-A157 PolarHBondContact O-N 3.37Å; L155-A157 PolarHBondContact O-N 3.4Å; A157-K170 HydrophobicContact CB-CD 4.43Å |
| 158 | I | 85.5 | Confident | 84.7 | Confident | 21 Ų | 21 | 90.9 Ų | 90.9 | 11% | 0.108 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -104 | -11.1 | -176 | -61.7 | 176.1 | 0 | 0 | 0 | 112.1 | I154 K156 K160 K161 K162 A167 K170 V171 | I154-I158 HydrophobicContact CD1-CD1 4.49Å; I154-I158 HydrophobicContact CG2-CD1 3.84Å; I154-I158 WeakPolarHBondContact O-CB 3.38Å; I154-I158 WeakPolarHBondContact O-CG1 3.33Å; I154-I158 PolarHBondContact O-N 3.05Å; K156-I158 PolarHBondContact O-N 2.91Å; I158-K160 PolarHBondContact O-N 3.45Å; I158-K161 CarbonylContact O-C 3.56Å; I158-K161 PolarHBondContact O-N 2.99Å; I158-K162 PolarHBondContact O-N 3.04Å; I158-A167 HydrophobicContact CB-CB 4.49Å; I158-A167 HydrophobicContact CD1-CB 4.32Å; I158-A167 WeakPolarHBondContact CD1-O 3.38Å; I158-A167 HydrophobicContact CG1-CB 4.43Å; I158-A167 HydrophobicContact CG2-CB 3.34Å; I158-K170 HydrophobicContact CD1-CB 3.99Å; I158-K170 HydrophobicContact CD1-CD 4.35Å; I158-K170 HydrophobicContact CD1-CG 4.23Å; I158-K170 HydrophobicContact CG1-CD 4.24Å; I158-V171 HydrophobicContact CD1-CG2 3.83Å |
| 159 | S | 78 | Confident | 84.5 | Confident | 83 Ų | 83 | 91 Ų | 91 | 58% | 0.58 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.2 | -41.2 | -175.3 | 59.9 | 0 | 0 | 0 | 0 | 115.8 | L155 K156 | L155-S159 WeakPolarHBondContact O-CB 3.29Å; L155-S159 PolarHBondContact O-N 3.24Å; K156-S159 PolarHBondContact O-OG 2.93Å |
| 160 | K | 75.4 | Confident | 84.4 | Confident | 202 Ų | 202 | 92.3 Ų | 92.3 | 88% | 0.878 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -2.8 | -179.4 | -60.9 | -176.1 | -179.4 | -178.1 | 0 | 115.4 | I158 | I158-K160 PolarHBondContact O-N 3.45Š|
| 161 | K | 76.9 | Confident | 84.3 | Confident | 121 Ų | 121 | 91.1 Ų | 91.1 | 53% | 0.526 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -126.4 | 23.8 | -174.3 | -61.3 | -173.7 | -179.8 | -178.1 | 0 | 112.8 | I158 G163 S164 L166 A167 | I158-K161 CarbonylContact O-C 3.56Å; I158-K161 PolarHBondContact O-N 2.99Å; K161-G163 PolarHBondContact O-N 3.36Å; K161-S164 VanDerWaalsContact O-CB 3.31Å; K161-S164 WeakPolarHBondContact O-CB 3.24Å; K161-S164 PolarHBondContact O-N 3.44Å; K161-S164 VanDerWaalsContact O-N 3.07Å; K161-S164 PolarHBondContact O-OG 3.26Å; K161-L166 HydrophobicContact CD-CD2 4.37Å; K161-A167 WeakPolarHBondContact O-CB 3.39Å |
| 162 | K | 75.1 | Confident | 84.3 | Confident | 195 Ų | 195 | 91.7 Ų | 91.7 | 85% | 0.848 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | 129.4 | -178.4 | -166.2 | 177.6 | -178 | -179 | 0 | 110.2 | I158 | I158-K162 PolarHBondContact O-N 3.04Š|
| 163 | G | 73.3 | Confident | 84.4 | Confident | 78 Ų | 78 | 92 Ų | 92 | 80% | 0.804 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | -5.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | K161 | K161-G163 PolarHBondContact O-N 3.36Š|
| 164 | S | 86 | Confident | 84.7 | Confident | 39 Ų | 39 | 90.6 Ų | 90.6 | 27% | 0.273 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -75.4 | 152.8 | 173.2 | 72.6 | 0 | 0 | 0 | 0 | 112.5 | K161 L166 A167 T168 | K161-S164 VanDerWaalsContact O-CB 3.31Å; K161-S164 WeakPolarHBondContact O-CB 3.24Å; K161-S164 PolarHBondContact O-N 3.44Å; K161-S164 VanDerWaalsContact O-N 3.07Å; K161-S164 PolarHBondContact O-OG 3.26Å; S164-L166 PolarHBondContact O-N 3.47Å; S164-A167 VanDerWaalsContact O-CB 3.29Å; S164-A167 WeakPolarHBondContact O-CB 3.41Å; S164-A167 PolarHBondContact O-N 2.95Å; S164-A167 WeakPolarHBondContact OG-CB 3.41Å; S164-A167 PolarHBondContact OG-N 2.85Å; S164-A167 VanDerWaalsContact OG-N 3.16Å; S164-T168 PolarHBondContact O-N 3.2Å; S164-T168 PolarHBondContact O-OG1 3.27Å |
| 165 | I | 85.5 | Confident | 84.8 | Confident | 136 Ų | 136 | 94 Ų | 94 | 70% | 0.697 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -55.6 | -38.7 | 174 | -62.7 | 169.2 | 0 | 0 | 0 | 111.1 | A167 T168 Q169 | I165-A167 VanDerWaalsContact C-N 3.33Å; I165-A167 PolarHBondContact O-N 2.81Å; I165-T168 PolarHBondContact O-N 3.09Å; I165-Q169 HydrophobicContact CG2-CG 4.41Å; I165-Q169 WeakPolarHBondContact O-CG 3.29Å; I165-Q169 PolarHBondContact O-N 3.09Å |
| 166 | L | 83.6 | Confident | 85.2 | Confident | 98 Ų | 98 | 94 Ų | 94 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -36.1 | 178.1 | -174.3 | 66.7 | 0 | 0 | 0 | 112.6 | K161 S164 K170 | K161-L166 HydrophobicContact CD-CD2 4.37Å; S164-L166 PolarHBondContact O-N 3.47Å; L166-K170 WeakPolarHBondContact O-CB 3.46Å; L166-K170 PolarHBondContact O-N 3.09Å; L166-K170 VanDerWaalsContact O-N 3.09Å |
| 167 | A | 86.1 | Confident | 85.5 | Confident | 9 Ų | 9 | 89.9 Ų | 89.9 | 7% | 0.074 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -64 | -47.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | I158 K161 S164 I165 Q169 K170 V171 | I158-A167 HydrophobicContact CB-CB 4.49Å; I158-A167 HydrophobicContact CD1-CB 4.32Å; I158-A167 WeakPolarHBondContact CD1-O 3.38Å; I158-A167 HydrophobicContact CG1-CB 4.43Å; I158-A167 HydrophobicContact CG2-CB 3.34Å; K161-A167 WeakPolarHBondContact O-CB 3.39Å; S164-A167 VanDerWaalsContact O-CB 3.29Å; S164-A167 WeakPolarHBondContact O-CB 3.41Å; S164-A167 PolarHBondContact O-N 2.95Å; S164-A167 WeakPolarHBondContact OG-CB 3.41Å; S164-A167 PolarHBondContact OG-N 2.85Å; S164-A167 VanDerWaalsContact OG-N 3.16Å; I165-A167 VanDerWaalsContact C-N 3.33Å; I165-A167 PolarHBondContact O-N 2.81Å; A167-Q169 PolarHBondContact O-N 3.07Å; A167-K170 PolarHBondContact O-N 2.93Å; A167-V171 WeakPolarHBondContact O-CG2 3.34Å; A167-V171 PolarHBondContact O-N 2.92Å; A167-V171 VanDerWaalsContact O-N 3.09Å |
| 168 | T | 87.4 | Confident | 85.9 | Confident | 86 Ų | 86 | 89 Ų | 89 | 53% | 0.528 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 177.6 | -51.1 | 0 | 0 | 0 | 0 | 111.4 | S164 I165 K170 V171 M172 | S164-T168 PolarHBondContact O-N 3.2Å; S164-T168 PolarHBondContact O-OG1 3.27Å; I165-T168 PolarHBondContact O-N 3.09Å; T168-K170 VanDerWaalsContact C-N 3.29Å; T168-K170 PolarHBondContact O-N 3.45Å; T168-V171 PolarHBondContact O-N 2.93Å; T168-M172 WeakPolarHBondContact O-CG 3.27Å; T168-M172 PolarHBondContact O-N 2.84Å |
| 169 | Q | 88.6 | Confident | 86.2 | Confident | 118 Ų | 118 | 92 Ų | 92 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -58.8 | -39.1 | 176 | -76.5 | 177 | -15.9 | 0 | 0 | 112.5 | I165 A167 M172 K173 | I165-Q169 HydrophobicContact CG2-CG 4.41Å; I165-Q169 WeakPolarHBondContact O-CG 3.29Å; I165-Q169 PolarHBondContact O-N 3.09Å; A167-Q169 PolarHBondContact O-N 3.07Å; Q169-M172 PolarHBondContact O-N 3.34Å; Q169-K173 WeakPolarHBondContact O-CB 3.1Å; Q169-K173 PolarHBondContact O-N 3.23Å |
| 170 | K | 88.9 | Confident | 87.1 | Confident | 93 Ų | 93 | 95.8 Ų | 95.8 | 40% | 0.404 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69.6 | -39 | 179.3 | -171.2 | 164.1 | -176.7 | 176.8 | 0 | 112.6 | D153 I154 A157 I158 L166 A167 T168 Y174 | D153-K170 WeakPolarHBondContact O-CE 3.41Å; D153-K170 PolarHBondContact O-NZ 3.19Å; I154-K170 HydrophobicContact CD1-CG 3.93Å; A157-K170 HydrophobicContact CB-CD 4.43Å; I158-K170 HydrophobicContact CD1-CB 3.99Å; I158-K170 HydrophobicContact CD1-CD 4.35Å; I158-K170 HydrophobicContact CD1-CG 4.23Å; I158-K170 HydrophobicContact CG1-CD 4.24Å; L166-K170 WeakPolarHBondContact O-CB 3.46Å; L166-K170 PolarHBondContact O-N 3.09Å; L166-K170 VanDerWaalsContact O-N 3.09Å; A167-K170 PolarHBondContact O-N 2.93Å; T168-K170 VanDerWaalsContact C-N 3.29Å; T168-K170 PolarHBondContact O-N 3.45Å; K170-Y174 PolarHBondContact O-N 3.49Å; K170-Y174 VanDerWaalsContact O-N 3.07Å |
| 171 | V | 89.6 | Confident | 87.9 | Confident | 49 Ų | 49 | 91.7 Ų | 91.7 | 30% | 0.297 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -64.3 | -45.7 | 172.8 | 175.2 | 0 | 0 | 0 | 0 | 110.8 | I154 I158 A167 T168 K173 Y174 I175 | I154-V171 HydrophobicContact CG2-CG2 3.9Å; I158-V171 HydrophobicContact CD1-CG2 3.83Å; A167-V171 WeakPolarHBondContact O-CG2 3.34Å; A167-V171 PolarHBondContact O-N 2.92Å; A167-V171 VanDerWaalsContact O-N 3.09Å; T168-V171 PolarHBondContact O-N 2.93Å; V171-K173 PolarHBondContact O-N 3.44Å; V171-Y174 PolarHBondContact O-N 2.66Å; V171-I175 HydrophobicContact CG1-CD1 3.95Å; V171-I175 WeakPolarHBondContact O-CG1 3.19Å; V171-I175 PolarHBondContact O-N 2.95Å |
| 172 | M | 91.1 | Very high | 88.6 | Confident | 102 Ų | 102 | 94.3 Ų | 94.3 | 50% | 0.502 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 177 | -73 | -63.9 | -67.1 | 0 | 0 | 111.7 | T168 Q169 Y174 I175 E176 | T168-M172 WeakPolarHBondContact O-CG 3.27Å; T168-M172 PolarHBondContact O-N 2.84Å; Q169-M172 PolarHBondContact O-N 3.34Å; M172-Y174 VanDerWaalsContact C-N 3.33Å; M172-Y174 PolarHBondContact O-N 3.3Å; M172-I175 PolarHBondContact O-N 3.35Å; M172-I175 VanDerWaalsContact O-N 3.16Å; M172-E176 WeakPolarHBondContact O-CG 3.38Å; M172-E176 PolarHBondContact O-N 2.96Å |
| 173 | K | 91.6 | Very high | 89.5 | Confident | 130 Ų | 130 | 89.7 Ų | 89.7 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -59.2 | -42.7 | 177 | -173.5 | 178.1 | 179.6 | -179.1 | 0 | 112.3 | Q169 V171 I175 E176 D177 | Q169-K173 WeakPolarHBondContact O-CB 3.1Å; Q169-K173 PolarHBondContact O-N 3.23Å; V171-K173 PolarHBondContact O-N 3.44Å; K173-I175 VanDerWaalsContact C-N 3.35Å; K173-I175 PolarHBondContact O-N 2.89Å; K173-E176 PolarHBondContact O-N 3.45Å; K173-D177 WeakPolarHBondContact O-CB 3.44Å; K173-D177 PolarHBondContact O-N 2.88Å |
| 174 | Y | 91.8 | Very high | 90.6 | Very high | 40 Ų | 40 | 91 Ų | 91 | 16% | 0.157 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 176.2 | 168.3 | -87.4 | 0 | 0 | 0 | 112.6 | F150 I154 K170 V171 M172 T178 | F150-Y174 HydrophobicContact CD2-CD1 4.09Å; F150-Y174 AromaticContact CD2-CE1 3.6Å; F150-Y174 HydrophobicContact CD2-CE1 3.6Å; F150-Y174 HydrophobicContact CD2-CE2 4.41Å; F150-Y174 AromaticContact CD2-CZ 3.78Å; F150-Y174 HydrophobicContact CE2-CD1 4.36Å; F150-Y174 HydrophobicContact CE2-CE1 4.19Å; I154-Y174 HydrophobicContact CD1-CD2 4.38Å; I154-Y174 HydrophobicContact CD1-CG 4.08Å; I154-Y174 HydrophobicContact CG1-CD1 4.37Å; I154-Y174 HydrophobicContact CG1-CD2 4.04Å; I154-Y174 HydrophobicContact CG1-CG 3.9Å; K170-Y174 PolarHBondContact O-N 3.49Å; K170-Y174 VanDerWaalsContact O-N 3.07Å; V171-Y174 PolarHBondContact O-N 2.66Å; M172-Y174 VanDerWaalsContact C-N 3.33Å; M172-Y174 PolarHBondContact O-N 3.3Å; Y174-T178 WeakPolarHBondContact O-CB 3.47Å; Y174-T178 PolarHBondContact O-N 3.16Å; Y174-T178 PolarHBondContact O-OG1 2.89Å |
| 175 | I | 90.9 | Very high | 90.9 | Very high | 79 Ų | 79 | 93.6 Ų | 93.6 | 41% | 0.405 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.9 | -46.4 | 176.6 | -67 | 167.2 | 0 | 0 | 0 | 110 | V171 M172 K173 T178 N179 | V171-I175 HydrophobicContact CG1-CD1 3.95Å; V171-I175 WeakPolarHBondContact O-CG1 3.19Å; V171-I175 PolarHBondContact O-N 2.95Å; M172-I175 PolarHBondContact O-N 3.35Å; M172-I175 VanDerWaalsContact O-N 3.16Å; K173-I175 VanDerWaalsContact C-N 3.35Å; K173-I175 PolarHBondContact O-N 2.89Å; I175-T178 PolarHBondContact O-N 3.01Å; I175-N179 WeakPolarHBondContact O-CB 3.39Å; I175-N179 VanDerWaalsContact O-CG 3.3Å; I175-N179 PolarHBondContact O-N 3.41Å; I175-N179 PolarHBondContact O-ND2 3.34Å |
| 176 | E | 94.4 | Very high | 91.3 | Very high | 98 Ų | 98 | 94.2 Ų | 94.2 | 46% | 0.458 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.8 | -48.8 | 177.2 | -72.2 | 173.4 | -166.7 | 0 | 0 | 112.3 | M172 K173 T178 N179 R180 | M172-E176 WeakPolarHBondContact O-CG 3.38Å; M172-E176 PolarHBondContact O-N 2.96Å; K173-E176 PolarHBondContact O-N 3.45Å; E176-T178 VanDerWaalsContact C-N 3.29Å; E176-T178 PolarHBondContact O-N 3.38Å; E176-N179 PolarHBondContact O-N 3.23Å; E176-R180 WeakPolarHBondContact O-CG 3.49Å; E176-R180 PolarHBondContact O-N 3.44Å |
| 177 | D | 93 | Very high | 91.9 | Very high | 61 Ų | 61 | 94 Ų | 94 | 33% | 0.326 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.6 | -35 | 179.1 | -73.7 | -22.7 | 0 | 0 | 0 | 111.5 | K173 R181 | K173-D177 WeakPolarHBondContact O-CB 3.44Å; K173-D177 PolarHBondContact O-N 2.88Å; D177-R181 WeakPolarHBondContact O-CB 3.44Å; D177-R181 WeakPolarHBondContact O-CG 3.07Å; D177-R181 PolarHBondContact O-N 3.47Å; D177-R181 PolarHBondContact O-NE 3.38Å |
| 178 | T | 90.8 | Very high | 92.4 | Very high | 32 Ų | 32 | 100.4 Ų | 100.4 | 20% | 0.196 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -70.5 | -42.1 | 175.9 | -58 | 0 | 0 | 0 | 0 | 111.5 | Y174 I175 E176 R181 R182 | Y174-T178 WeakPolarHBondContact O-CB 3.47Å; Y174-T178 PolarHBondContact O-N 3.16Å; Y174-T178 PolarHBondContact O-OG1 2.89Å; I175-T178 PolarHBondContact O-N 3.01Å; E176-T178 VanDerWaalsContact C-N 3.29Å; E176-T178 PolarHBondContact O-N 3.38Å; T178-R181 PolarHBondContact O-N 3.23Å; T178-R181 PolarHBondContact OG1-NH2 3.3Å; T178-R181 VanDerWaalsContact OG1-NH2 3.09Å; T178-R182 WeakPolarHBondContact O-CG 3.48Å; T178-R182 PolarHBondContact O-N 3.46Å |
| 179 | N | 93 | Very high | 92.7 | Very high | 83 Ų | 83 | 101.3 Ų | 101.3 | 44% | 0.444 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 174.3 | -74.7 | -19.7 | 0 | 0 | 0 | 111.2 | I175 E176 R181 R182 D183 | I175-N179 WeakPolarHBondContact O-CB 3.39Å; I175-N179 VanDerWaalsContact O-CG 3.3Å; I175-N179 PolarHBondContact O-N 3.41Å; I175-N179 PolarHBondContact O-ND2 3.34Å; E176-N179 PolarHBondContact O-N 3.23Å; N179-R181 VanDerWaalsContact C-N 3.34Å; N179-R181 PolarHBondContact O-N 2.89Å; N179-R182 WeakPolarHBondContact O-CB 3.5Å; N179-R182 PolarHBondContact O-N 2.94Å; N179-R182 VanDerWaalsContact O-N 3.14Å; N179-D183 PolarHBondContact O-N 2.86Å |
| 180 | R | 96 | Very high | 93.1 | Very high | 162 Ų | 162 | 103.8 Ų | 103.8 | 61% | 0.611 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -58.6 | -42.8 | 174.7 | -73.8 | 178 | 179.5 | 179.9 | 1.2 | 112.6 | E176 D183 N184 | E176-R180 WeakPolarHBondContact O-CG 3.49Å; E176-R180 PolarHBondContact O-N 3.44Å; R180-D183 PolarHBondContact O-N 2.89Å; R180-N184 WeakPolarHBondContact O-CB 3.49Å; R180-N184 VanDerWaalsContact O-CG 3.24Å; R180-N184 PolarHBondContact O-N 3.42Å; R180-N184 PolarHBondContact O-ND2 3.14Å |
| 181 | R | 91.9 | Very high | 93.5 | Very high | 116 Ų | 116 | 104.6 Ų | 104.6 | 44% | 0.438 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.5 | -43.6 | 175.1 | -79.9 | -176 | -73.9 | 158.7 | -4.2 | 111.9 | E149 D177 T178 N179 N184 M185 | E149-R181 IonicContact OE2-CZ 3.02Å; E149-R181 IonicContact OE2-NH1 3.09Å; E149-R181 PolarHBondContact OE2-NH1 3.49Å; E149-R181 IonicContact OE2-NH2 3.31Å; D177-R181 WeakPolarHBondContact O-CB 3.44Å; D177-R181 WeakPolarHBondContact O-CG 3.07Å; D177-R181 PolarHBondContact O-N 3.47Å; D177-R181 PolarHBondContact O-NE 3.38Å; T178-R181 PolarHBondContact O-N 3.23Å; T178-R181 PolarHBondContact OG1-NH2 3.3Å; T178-R181 VanDerWaalsContact OG1-NH2 3.09Å; N179-R181 VanDerWaalsContact C-N 3.34Å; N179-R181 PolarHBondContact O-N 2.89Å; R181-N184 PolarHBondContact O-N 3.42Å; R181-M185 PolarHBondContact O-N 3.38Å |
| 182 | R | 90.9 | Very high | 93.8 | Very high | 176 Ų | 176 | 108.8 Ų | 108.8 | 66% | 0.664 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -62.9 | -44 | 176.6 | -73.5 | 175.1 | 62.9 | 109.7 | 1.5 | 112 | T178 N179 M185 K186 | T178-R182 WeakPolarHBondContact O-CG 3.48Å; T178-R182 PolarHBondContact O-N 3.46Å; N179-R182 WeakPolarHBondContact O-CB 3.5Å; N179-R182 PolarHBondContact O-N 2.94Å; N179-R182 VanDerWaalsContact O-N 3.14Å; R182-M185 PolarHBondContact O-N 3.48Å; R182-K186 WeakPolarHBondContact O-CB 3.37Å; R182-K186 PolarHBondContact O-N 3.01Å |
| 183 | D | 95.4 | Very high | 94 | Very high | 99 Ų | 99 | 107.7 Ų | 107.7 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 177.8 | -72.5 | -29.4 | 0 | 0 | 0 | 111.9 | N179 R180 M185 K186 E187 | N179-D183 PolarHBondContact O-N 2.86Å; R180-D183 PolarHBondContact O-N 2.89Å; D183-M185 VanDerWaalsContact C-N 3.32Å; D183-M185 PolarHBondContact O-N 3.25Å; D183-K186 WeakPolarHBondContact O-CB 3.4Å; D183-K186 PolarHBondContact O-N 3.1Å; D183-E187 PolarHBondContact O-N 3.45Å |
| 184 | N | 95.6 | Very high | 94.3 | Very high | 104 Ų | 104 | 105.4 Ų | 105.4 | 56% | 0.556 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -61.1 | -40.1 | 174.2 | -73 | -22.9 | 0 | 0 | 0 | 112.2 | R180 R181 K188 | R180-N184 WeakPolarHBondContact O-CB 3.49Å; R180-N184 VanDerWaalsContact O-CG 3.24Å; R180-N184 PolarHBondContact O-N 3.42Å; R180-N184 PolarHBondContact O-ND2 3.14Å; R181-N184 PolarHBondContact O-N 3.42Å; N184-K188 WeakPolarHBondContact O-CG 3.37Å; N184-K188 PolarHBondContact O-N 3.22Å; N184-K188 VanDerWaalsContact O-N 3.1Å |
| 185 | M | 91.9 | Very high | 94.6 | Very high | 94 Ų | 94 | 106.5 Ų | 106.5 | 46% | 0.463 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 176.4 | -173.6 | 60.5 | 79.2 | 0 | 0 | 111.5 | R181 R182 D183 E187 K188 L189 | R181-M185 PolarHBondContact O-N 3.38Å; R182-M185 PolarHBondContact O-N 3.48Å; D183-M185 VanDerWaalsContact C-N 3.32Å; D183-M185 PolarHBondContact O-N 3.25Å; M185-E187 VanDerWaalsContact C-N 3.3Å; M185-E187 PolarHBondContact O-N 3.01Å; M185-K188 PolarHBondContact O-N 3.41Å; M185-L189 HydrophobicContact CG-CD1 4.13Å; M185-L189 HydrophobicContact CG-CG 4.36Å; M185-L189 WeakPolarHBondContact O-CG 3.46Å; M185-L189 PolarHBondContact O-N 3.01Å; M185-L189 HydrophobicContact SD-CG 4.4Å |
| 186 | K | 94.4 | Very high | 94.8 | Very high | 150 Ų | 150 | 107 Ų | 107 | 65% | 0.652 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.2 | -45.2 | 176.1 | -178.3 | -175.9 | 176.8 | -176.1 | 0 | 111.3 | R182 D183 L189 R190 | R182-K186 WeakPolarHBondContact O-CB 3.37Å; R182-K186 PolarHBondContact O-N 3.01Å; D183-K186 WeakPolarHBondContact O-CB 3.4Å; D183-K186 PolarHBondContact O-N 3.1Å; K186-L189 PolarHBondContact O-N 3.31Å; K186-R190 WeakPolarHBondContact O-CB 3.4Å; K186-R190 PolarHBondContact O-N 2.91Å |
| 187 | E | 96.2 | Very high | 95 | Very high | 93 Ų | 93 | 108.3 Ų | 108.3 | 44% | 0.435 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -42.4 | 178.2 | -171 | 55.3 | -152.3 | 0 | 0 | 112 | D183 M185 L189 R190 L191 | D183-E187 PolarHBondContact O-N 3.45Å; M185-E187 VanDerWaalsContact C-N 3.3Å; M185-E187 PolarHBondContact O-N 3.01Å; E187-L189 PolarHBondContact O-N 2.93Å; E187-R190 WeakPolarHBondContact O-CB 3.35Å; E187-R190 PolarHBondContact O-N 3.5Å; E187-L191 HydrophobicContact CG-CD1 4.5Å; E187-L191 WeakPolarHBondContact O-CG 3.37Å; E187-L191 PolarHBondContact O-N 3.31Å |
| 188 | K | 96.3 | Very high | 95.2 | Very high | 144 Ų | 144 | 109.9 Ų | 109.9 | 63% | 0.626 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -57.9 | -46 | 173.8 | -74.4 | 178.8 | -177.6 | -175.8 | 0 | 112.3 | N184 M185 L191 K192 | N184-K188 WeakPolarHBondContact O-CG 3.37Å; N184-K188 PolarHBondContact O-N 3.22Å; N184-K188 VanDerWaalsContact O-N 3.1Å; M185-K188 PolarHBondContact O-N 3.41Å; K188-L191 PolarHBondContact O-N 2.85Å; K188-K192 WeakPolarHBondContact O-CB 3.47Å; K188-K192 PolarHBondContact O-N 3.37Å |
| 189 | L | 93.6 | Very high | 95.5 | Very high | 105 Ų | 105 | 113.4 Ų | 113.4 | 55% | 0.55 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.2 | -39.2 | 177.9 | -70.8 | 175.9 | 0 | 0 | 0 | 111.6 | M185 K186 E187 K192 N193 | M185-L189 HydrophobicContact CG-CD1 4.13Å; M185-L189 HydrophobicContact CG-CG 4.36Å; M185-L189 WeakPolarHBondContact O-CG 3.46Å; M185-L189 PolarHBondContact O-N 3.01Å; M185-L189 HydrophobicContact SD-CG 4.4Å; K186-L189 PolarHBondContact O-N 3.31Å; E187-L189 PolarHBondContact O-N 2.93Å; L189-K192 PolarHBondContact O-N 3.48Å; L189-N193 WeakPolarHBondContact O-CB 3.36Å; L189-N193 PolarHBondContact O-N 2.96Å |
| 190 | R | 97.4 | Very high | 95.6 | Very high | 170 Ų | 170 | 118 Ų | 118 | 64% | 0.642 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.7 | -49.7 | 175 | -176.8 | -175 | 175.3 | 142.6 | 1.4 | 111.4 | K186 E187 K192 N193 V194 | K186-R190 WeakPolarHBondContact O-CB 3.4Å; K186-R190 PolarHBondContact O-N 2.91Å; E187-R190 WeakPolarHBondContact O-CB 3.35Å; E187-R190 PolarHBondContact O-N 3.5Å; R190-K192 VanDerWaalsContact C-N 3.35Å; R190-K192 PolarHBondContact O-N 3Å; R190-N193 WeakPolarHBondContact O-CB 3.49Å; R190-N193 PolarHBondContact O-N 3.22Å; R190-V194 WeakPolarHBondContact O-CG2 3.4Å; R190-V194 PolarHBondContact O-N 3.02Å |
| 191 | L | 96.9 | Very high | 95.7 | Very high | 110 Ų | 110 | 118 Ų | 118 | 58% | 0.576 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.4 | -43 | 177.9 | -68.3 | 174 | 0 | 0 | 0 | 111.6 | E187 K188 N193 V194 S195 | E187-L191 HydrophobicContact CG-CD1 4.5Å; E187-L191 WeakPolarHBondContact O-CG 3.37Å; E187-L191 PolarHBondContact O-N 3.31Å; K188-L191 PolarHBondContact O-N 2.85Å; L191-N193 PolarHBondContact O-N 2.92Å; L191-V194 PolarHBondContact O-N 3.48Å; L191-S195 PolarHBondContact O-N 3.25Å |
| 192 | K | 96.6 | Very high | 95.9 | Very high | 136 Ų | 136 | 118.9 Ų | 118.9 | 59% | 0.591 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -62.5 | -41.5 | 175.8 | -167.8 | 172.7 | -177.8 | -178.1 | 0 | 111.8 | K188 L189 R190 S195 L196 | K188-K192 WeakPolarHBondContact O-CB 3.47Å; K188-K192 PolarHBondContact O-N 3.37Å; L189-K192 PolarHBondContact O-N 3.48Å; R190-K192 VanDerWaalsContact C-N 3.35Å; R190-K192 PolarHBondContact O-N 3Å; K192-S195 PolarHBondContact O-N 3.44Å; K192-L196 HydrophobicContact CG-CD1 4.14Å; K192-L196 HydrophobicContact CG-CG 4.47Å; K192-L196 WeakPolarHBondContact O-CB 3.43Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 3.06Å |
| 193 | N | 95.8 | Very high | 96.1 | Very high | 80 Ų | 80 | 115.8 Ų | 115.8 | 43% | 0.428 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -61.7 | -44.1 | 176.9 | -171 | -91.2 | 0 | 0 | 0 | 112 | L189 R190 L191 L196 K197 | L189-N193 WeakPolarHBondContact O-CB 3.36Å; L189-N193 PolarHBondContact O-N 2.96Å; R190-N193 WeakPolarHBondContact O-CB 3.49Å; R190-N193 PolarHBondContact O-N 3.22Å; L191-N193 PolarHBondContact O-N 2.92Å; N193-L196 PolarHBondContact O-N 3.38Å; N193-K197 WeakPolarHBondContact O-CB 3.38Å; N193-K197 WeakPolarHBondContact O-CG 3.36Å; N193-K197 PolarHBondContact O-N 3.47Å; N193-K197 WeakPolarHBondContact OD1-CD 3.46Å; N193-K197 WeakPolarHBondContact OD1-CE 3.45Å; N193-K197 PolarHBondContact OD1-NZ 3.05Å |
| 194 | V | 97.6 | Very high | 96.1 | Very high | 82 Ų | 82 | 115.1 Ų | 115.1 | 50% | 0.497 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -45.5 | 176 | 174.1 | 0 | 0 | 0 | 0 | 110.8 | R190 L191 K197 V198 | R190-V194 WeakPolarHBondContact O-CG2 3.4Å; R190-V194 PolarHBondContact O-N 3.02Å; L191-V194 PolarHBondContact O-N 3.48Å; V194-K197 PolarHBondContact O-N 3.36Å; V194-V198 WeakPolarHBondContact O-CG2 3.45Å; V194-V198 PolarHBondContact O-N 3.25Å |
| 195 | S | 97.3 | Very high | 95.9 | Very high | 62 Ų | 62 | 113.8 Ų | 113.8 | 43% | 0.434 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.7 | -47.7 | 177.7 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | L191 K192 K197 V198 Q199 | L191-S195 PolarHBondContact O-N 3.25Å; K192-S195 PolarHBondContact O-N 3.44Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact O-N 3.46Å; S195-V198 PolarHBondContact O-N 3.44Å; S195-V198 VanDerWaalsContact O-N 3.17Å; S195-Q199 WeakPolarHBondContact O-CG 3.37Å; S195-Q199 PolarHBondContact O-N 2.85Å |
| 196 | L | 96.8 | Very high | 95.9 | Very high | 91 Ų | 91 | 113.4 Ų | 113.4 | 48% | 0.476 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -37.5 | 177 | -71.6 | 172.7 | 0 | 0 | 0 | 112.4 | K192 N193 V198 Q199 R200 | K192-L196 HydrophobicContact CG-CD1 4.14Å; K192-L196 HydrophobicContact CG-CG 4.47Å; K192-L196 WeakPolarHBondContact O-CB 3.43Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 3.06Å; N193-L196 PolarHBondContact O-N 3.38Å; L196-V198 VanDerWaalsContact C-N 3.34Å; L196-V198 PolarHBondContact O-N 2.82Å; L196-Q199 PolarHBondContact O-N 2.93Å; L196-R200 WeakPolarHBondContact O-CB 3.44Å; L196-R200 PolarHBondContact O-N 3.48Å |
| 197 | K | 97.3 | Very high | 95.7 | Very high | 125 Ų | 125 | 110.5 Ų | 110.5 | 54% | 0.543 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 173.8 | -79.9 | 174.4 | 175.5 | 165.6 | 0 | 112.1 | N193 V194 S195 K201 | N193-K197 WeakPolarHBondContact O-CB 3.38Å; N193-K197 WeakPolarHBondContact O-CG 3.36Å; N193-K197 PolarHBondContact O-N 3.47Å; N193-K197 WeakPolarHBondContact OD1-CD 3.46Å; N193-K197 WeakPolarHBondContact OD1-CE 3.45Å; N193-K197 PolarHBondContact OD1-NZ 3.05Å; V194-K197 PolarHBondContact O-N 3.36Å; S195-K197 VanDerWaalsContact C-N 3.34Å; S195-K197 PolarHBondContact O-N 3.46Å; K197-K201 WeakPolarHBondContact O-CG 3.47Å; K197-K201 PolarHBondContact O-N 3.17Å |
| 198 | V | 97.3 | Very high | 95.3 | Very high | 93 Ų | 93 | 114.1 Ų | 114.1 | 56% | 0.564 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -66.6 | -44.7 | 176.2 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | V194 S195 L196 R200 K201 K202 | V194-V198 WeakPolarHBondContact O-CG2 3.45Å; V194-V198 PolarHBondContact O-N 3.25Å; S195-V198 PolarHBondContact O-N 3.44Å; S195-V198 VanDerWaalsContact O-N 3.17Å; L196-V198 VanDerWaalsContact C-N 3.34Å; L196-V198 PolarHBondContact O-N 2.82Å; V198-R200 PolarHBondContact O-N 3.36Å; V198-K201 PolarHBondContact O-N 3.26Å; V198-K202 PolarHBondContact O-N 3.41Å |
| 199 | Q | 96.9 | Very high | 94.7 | Very high | 106 Ų | 106 | 113.2 Ų | 113.2 | 50% | 0.495 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 176.1 | -71.7 | -179.6 | -1.1 | 0 | 0 | 112 | S195 L196 K201 K202 L203 | S195-Q199 WeakPolarHBondContact O-CG 3.37Å; S195-Q199 PolarHBondContact O-N 2.85Å; L196-Q199 PolarHBondContact O-N 2.93Å; Q199-K201 PolarHBondContact O-N 2.97Å; Q199-K202 PolarHBondContact O-N 3.03Å; Q199-L203 WeakPolarHBondContact O-CG 3.46Å; Q199-L203 PolarHBondContact O-N 3.45Å |
| 200 | R | 96.2 | Very high | 94.2 | Very high | 181 Ų | 181 | 116 Ų | 116 | 68% | 0.683 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -57.1 | -47.4 | 174.5 | 178.7 | 179.5 | 172.9 | 175.3 | -0.3 | 111.5 | L196 V198 K202 L203 L204 | L196-R200 WeakPolarHBondContact O-CB 3.44Å; L196-R200 PolarHBondContact O-N 3.48Å; V198-R200 PolarHBondContact O-N 3.36Å; R200-K202 VanDerWaalsContact C-N 3.33Å; R200-K202 PolarHBondContact O-N 3.48Å; R200-L203 PolarHBondContact O-N 3.06Å; R200-L204 HydrophobicContact CG-CD1 4Å; R200-L204 HydrophobicContact CG-CG 4.48Å; R200-L204 WeakPolarHBondContact O-CB 3.46Å; R200-L204 WeakPolarHBondContact O-CG 3.45Å; R200-L204 PolarHBondContact O-N 3.03Å |
| 201 | K | 96.7 | Very high | 93.3 | Very high | 160 Ų | 160 | 113.1 Ų | 113.1 | 70% | 0.696 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.4 | -42.6 | 177.2 | -77.2 | -175.9 | 176.7 | -172.1 | 0 | 111.9 | K197 V198 Q199 L204 S205 | K197-K201 WeakPolarHBondContact O-CG 3.47Å; K197-K201 PolarHBondContact O-N 3.17Å; V198-K201 PolarHBondContact O-N 3.26Å; Q199-K201 PolarHBondContact O-N 2.97Å; K201-L204 PolarHBondContact O-N 3.19Å; K201-S205 WeakPolarHBondContact O-CB 3.29Å; K201-S205 PolarHBondContact O-N 2.87Å |
| 202 | K | 96.6 | Very high | 92.2 | Very high | 135 Ų | 135 | 113.6 Ų | 113.6 | 59% | 0.587 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -61.8 | -48.1 | 176.7 | -175.1 | -179 | 179.9 | -178.7 | 0 | 111.6 | V198 Q199 R200 S205 Q206 | V198-K202 PolarHBondContact O-N 3.41Å; Q199-K202 PolarHBondContact O-N 3.03Å; R200-K202 VanDerWaalsContact C-N 3.33Å; R200-K202 PolarHBondContact O-N 3.48Å; K202-S205 WeakPolarHBondContact O-CB 3.34Å; K202-S205 PolarHBondContact O-N 2.78Å; K202-Q206 WeakPolarHBondContact O-CG 3.43Å; K202-Q206 PolarHBondContact O-N 3.26Å |
| 203 | L | 95.9 | Very high | 90.7 | Very high | 111 Ų | 111 | 112 Ų | 112 | 58% | 0.581 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | 178.8 | -72.3 | 172.4 | 0 | 0 | 0 | 111.8 | Q199 R200 S205 Q206 L207 | Q199-L203 WeakPolarHBondContact O-CG 3.46Å; Q199-L203 PolarHBondContact O-N 3.45Å; R200-L203 PolarHBondContact O-N 3.06Å; L203-S205 VanDerWaalsContact C-N 3.33Å; L203-S205 PolarHBondContact O-N 2.89Å; L203-Q206 PolarHBondContact O-N 3.44Å; L203-L207 WeakPolarHBondContact O-CB 3.38Å; L203-L207 PolarHBondContact O-N 2.75Å |
| 204 | L | 94.4 | Very high | 89 | Confident | 85 Ų | 85 | 110.3 Ų | 110.3 | 45% | 0.445 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.4 | -39.2 | 174.7 | -74.4 | 171.6 | 0 | 0 | 0 | 112.3 | R200 K201 L207 R208 | R200-L204 HydrophobicContact CG-CD1 4Å; R200-L204 HydrophobicContact CG-CG 4.48Å; R200-L204 WeakPolarHBondContact O-CB 3.46Å; R200-L204 WeakPolarHBondContact O-CG 3.45Å; R200-L204 PolarHBondContact O-N 3.03Å; K201-L204 PolarHBondContact O-N 3.19Å; L204-L207 PolarHBondContact O-N 3.39Å; L204-R208 WeakPolarHBondContact O-CG 3.35Å; L204-R208 PolarHBondContact O-N 3.17Å |
| 205 | S | 92.6 | Very high | 87.3 | Confident | 76 Ų | 76 | 112.6 Ų | 112.6 | 53% | 0.531 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66.1 | -39 | 175.2 | -172.5 | 0 | 0 | 0 | 0 | 112.3 | K201 K202 L203 R208 Q209 | K201-S205 WeakPolarHBondContact O-CB 3.29Å; K201-S205 PolarHBondContact O-N 2.87Å; K202-S205 WeakPolarHBondContact O-CB 3.34Å; K202-S205 PolarHBondContact O-N 2.78Å; L203-S205 VanDerWaalsContact C-N 3.33Å; L203-S205 PolarHBondContact O-N 2.89Å; S205-R208 PolarHBondContact O-N 3.35Å; S205-Q209 PolarHBondContact O-N 3.5Å |
| 206 | Q | 92.2 | Very high | 85.4 | Confident | 86 Ų | 86 | 113.2 Ų | 113.2 | 40% | 0.402 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.5 | -37.5 | 175.4 | -73 | 177.8 | -21.7 | 0 | 0 | 111.8 | K202 L203 Q209 K210 | K202-Q206 WeakPolarHBondContact O-CG 3.43Å; K202-Q206 PolarHBondContact O-N 3.26Å; L203-Q206 PolarHBondContact O-N 3.44Å; Q206-Q209 PolarHBondContact O-N 3.11Å; Q206-K210 WeakPolarHBondContact O-CG 3.44Å; Q206-K210 PolarHBondContact O-N 3.2Å |
| 207 | L | 88.7 | Confident | 83.8 | Confident | 90 Ų | 90 | 114.7 Ų | 114.7 | 47% | 0.471 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61.6 | -50.4 | 174.5 | -176.6 | 65.8 | 0 | 0 | 0 | 110.3 | L203 L204 Q209 K210 E211 | L203-L207 WeakPolarHBondContact O-CB 3.38Å; L203-L207 PolarHBondContact O-N 2.75Å; L204-L207 PolarHBondContact O-N 3.39Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-Q209 PolarHBondContact O-N 2.81Å; L207-K210 CarbonylContact O-C 3.58Å; L207-K210 WeakPolarHBondContact O-CB 3.43Å; L207-K210 PolarHBondContact O-N 3.04Å; L207-E211 HydrophobicContact CG-CG 4.44Å; L207-E211 WeakPolarHBondContact O-CG 3.4Å; L207-E211 PolarHBondContact O-N 3.42Å |
| 208 | R | 87.4 | Confident | 82.7 | Confident | 169 Ų | 169 | 113.7 Ų | 113.7 | 64% | 0.638 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -57.3 | -44.8 | 176.1 | -73.6 | -177 | -175.3 | -156.3 | -2.5 | 112.9 | L204 S205 K210 E211 E212 | L204-R208 WeakPolarHBondContact O-CG 3.35Å; L204-R208 PolarHBondContact O-N 3.17Å; S205-R208 PolarHBondContact O-N 3.35Å; R208-K210 VanDerWaalsContact C-N 3.27Å; R208-K210 PolarHBondContact O-N 3Å; R208-E211 PolarHBondContact O-N 2.97Å; R208-E212 WeakPolarHBondContact O-CB 3.4Å; R208-E212 WeakPolarHBondContact O-CG 3.46Å; R208-E212 PolarHBondContact O-N 3.35Å |
| 209 | Q | 85 | Confident | 81.6 | Confident | 125 Ų | 125 | 115.7 Ų | 115.7 | 58% | 0.584 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.7 | -37.4 | 177.1 | -171.7 | -179.5 | 19.9 | 0 | 0 | 111.9 | S205 Q206 L207 V213 | S205-Q209 PolarHBondContact O-N 3.5Å; Q206-Q209 PolarHBondContact O-N 3.11Å; L207-Q209 VanDerWaalsContact C-N 3.35Å; L207-Q209 PolarHBondContact O-N 2.81Å; Q209-V213 WeakPolarHBondContact O-CB 3.44Å; Q209-V213 WeakPolarHBondContact O-CG2 3.46Å; Q209-V213 PolarHBondContact O-N 2.98Å; Q209-V213 VanDerWaalsContact O-N 3.07Å |
| 210 | K | 83.1 | Confident | 80.7 | Confident | 164 Ų | 164 | 115.3 Ų | 115.3 | 71% | 0.713 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -71.1 | -36.8 | 175 | -75.2 | -165.8 | 176 | -166.9 | 0 | 112.6 | Q206 L207 R208 G214 | Q206-K210 WeakPolarHBondContact O-CG 3.44Å; Q206-K210 PolarHBondContact O-N 3.2Å; L207-K210 CarbonylContact O-C 3.58Å; L207-K210 WeakPolarHBondContact O-CB 3.43Å; L207-K210 PolarHBondContact O-N 3.04Å; R208-K210 VanDerWaalsContact C-N 3.27Å; R208-K210 PolarHBondContact O-N 3Å; K210-G214 PolarHBondContact O-N 3.02Å |
| 211 | E | 78.8 | Confident | 80.1 | Confident | 108 Ų | 108 | 109.7 Ų | 109.7 | 51% | 0.505 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.5 | -46.2 | 174.1 | -72.5 | 169 | 167.2 | 0 | 0 | 110.6 | L207 R208 V213 G214 E215 | L207-E211 HydrophobicContact CG-CG 4.44Å; L207-E211 WeakPolarHBondContact O-CG 3.4Å; L207-E211 PolarHBondContact O-N 3.42Å; R208-E211 PolarHBondContact O-N 2.97Å; E211-V213 PolarHBondContact O-N 3.45Å; E211-G214 CarbonylContact O-C 3.53Å; E211-G214 WeakPolarHBondContact O-CA 3.48Å; E211-G214 PolarHBondContact O-N 3.28Å; E211-E215 WeakPolarHBondContact O-CB 3.39Å; E211-E215 PolarHBondContact O-N 2.87Å |
| 212 | E | 73.6 | Confident | 79.6 | Confident | 121 Ų | 121 | 107.2 Ų | 107.2 | 57% | 0.565 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.5 | -37.8 | 175.7 | -72.3 | 168.6 | -169.2 | 0 | 0 | 112.4 | R208 G214 E215 A216 | R208-E212 WeakPolarHBondContact O-CB 3.4Å; R208-E212 WeakPolarHBondContact O-CG 3.46Å; R208-E212 PolarHBondContact O-N 3.35Å; E212-G214 VanDerWaalsContact C-N 3.31Å; E212-E215 PolarHBondContact O-N 3.4Å; E212-A216 WeakPolarHBondContact O-CB 3.43Å; E212-A216 PolarHBondContact O-N 3.24Å |
| 213 | V | 64.1 | Low | 79.3 | Confident | 101 Ų | 101 | 106.6 Ų | 106.6 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -69 | -31.3 | 173 | 170.9 | 0 | 0 | 0 | 0 | 111.7 | Q209 E211 | Q209-V213 WeakPolarHBondContact O-CB 3.44Å; Q209-V213 WeakPolarHBondContact O-CG2 3.46Å; Q209-V213 PolarHBondContact O-N 2.98Å; Q209-V213 VanDerWaalsContact O-N 3.07Å; E211-V213 PolarHBondContact O-N 3.45Å |
| 214 | G | 61.4 | Low | 79.2 | Confident | 45 Ų | 45 | 106 Ų | 106 | 46% | 0.464 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -73.8 | -35.1 | 172 | 0 | 0 | 0 | 0 | 0 | 113.1 | K210 E211 E212 A216 L217 | K210-G214 PolarHBondContact O-N 3.02Å; E211-G214 CarbonylContact O-C 3.53Å; E211-G214 WeakPolarHBondContact O-CA 3.48Å; E211-G214 PolarHBondContact O-N 3.28Å; E212-G214 VanDerWaalsContact C-N 3.31Å; G214-A216 VanDerWaalsContact C-N 3.33Å; G214-L217 CarbonylContact O-C 3.5Å; G214-L217 PolarHBondContact O-N 3.47Å |
| 215 | E | 60.2 | Low | 79.1 | Confident | 131 Ų | 131 | 107 Ų | 107 | 61% | 0.612 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -72.2 | -28.1 | 176 | -162.8 | 175.5 | -169.3 | 0 | 0 | 111.5 | E211 E212 L217 H218 | E211-E215 WeakPolarHBondContact O-CB 3.39Å; E211-E215 PolarHBondContact O-N 2.87Å; E212-E215 PolarHBondContact O-N 3.4Å; E215-L217 PolarHBondContact O-N 3.45Å; E215-H218 PolarHBondContact O-CE1 3.2Å; E215-H218 VanDerWaalsContact O-CE1 3.28Å; E215-H218 PolarHBondContact O-NE2 2.95Å |
| 216 | A | 59.2 | Low | 79.3 | Confident | 74 Ų | 74 | 109.3 Ų | 109.3 | 61% | 0.612 | 55% | 0.55 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -13 | 170.5 | 0 | 0 | 0 | 0 | 0 | 114 | E212 G214 | E212-A216 WeakPolarHBondContact O-CB 3.43Å; E212-A216 PolarHBondContact O-N 3.24Å; G214-A216 VanDerWaalsContact C-N 3.33Å |
| 217 | L | 62.7 | Low | 79.5 | Confident | 123 Ų | 123 | 109.9 Ų | 109.9 | 64% | 0.644 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -114.2 | 76.2 | 175.8 | -150 | 86.6 | 0 | 0 | 0 | 108.3 | G214 E215 | G214-L217 CarbonylContact O-C 3.5Å; G214-L217 PolarHBondContact O-N 3.47Å; E215-L217 PolarHBondContact O-N 3.45Å |
| 218 | H | 72.9 | Confident | 79.9 | Confident | 104 Ų | 104 | 108.8 Ų | 108.8 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | trans | -66.2 | 146.1 | 178.1 | -75.8 | 119.8 | 0 | 0 | 0 | 110 | E215 V220 D221 F222 | E215-H218 PolarHBondContact O-CE1 3.2Å; E215-H218 VanDerWaalsContact O-CE1 3.28Å; E215-H218 PolarHBondContact O-NE2 2.95Å; H218-V220 HydrophobicContact CB-CB 4.27Å; H218-V220 PolarHBondContact O-N 3.24Å; H218-D221 PolarHBondContact N-OD2 2.9Å; H218-D221 VanDerWaalsContact N-OD2 3.11Å; H218-D221 WeakPolarHBondContact O-CB 3.39Å; H218-D221 PolarHBondContact O-N 3.23Å; H218-F222 PolarHBondContact O-N 2.94Å | ||
| 219 | D | 73.9 | Confident | 80.3 | Confident | 134 Ų | 134 | 105.3 Ų | 105.3 | 72% | 0.717 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -52.9 | -28.9 | 169.8 | -73.3 | -34.3 | 0 | 0 | 0 | 111.5 | F222 Q223 | D219-F222 PolarHBondContact O-N 2.94Å; D219-Q223 WeakPolarHBondContact O-CB 3.32Å; D219-Q223 VanDerWaalsContact O-CG 3.29Å; D219-Q223 WeakPolarHBondContact O-CG 3.3Å; D219-Q223 PolarHBondContact O-N 2.92Å |
| 220 | V | 79.9 | Confident | 80.9 | Confident | 99 Ų | 99 | 102 Ų | 102 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -63.5 | -44 | 173.2 | -177.8 | 0 | 0 | 0 | 0 | 111.9 | H218 F222 Q223 Q224 | H218-V220 HydrophobicContact CB-CB 4.27Å; H218-V220 PolarHBondContact O-N 3.24Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 3.43Å; V220-Q223 PolarHBondContact O-N 2.84Å; V220-Q224 WeakPolarHBondContact O-CB 3.49Å; V220-Q224 PolarHBondContact O-N 3.06Å |
| 221 | D | 83.6 | Confident | 81.6 | Confident | 63 Ų | 63 | 99.3 Ų | 99.3 | 34% | 0.337 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.6 | -38.3 | 178.1 | -58.5 | -42.3 | 0 | 0 | 0 | 110.7 | H218 Q224 L225 | H218-D221 PolarHBondContact N-OD2 2.9Å; H218-D221 VanDerWaalsContact N-OD2 3.11Å; H218-D221 WeakPolarHBondContact O-CB 3.39Å; H218-D221 PolarHBondContact O-N 3.23Å; D221-Q224 PolarHBondContact O-N 2.95Å; D221-L225 WeakPolarHBondContact O-CG 3.39Å; D221-L225 PolarHBondContact O-N 3.3Å |
| 222 | F | 85.3 | Confident | 82.5 | Confident | 107 Ų | 107 | 100.4 Ų | 100.4 | 47% | 0.469 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.4 | -38.9 | 175.9 | -165.1 | -111.4 | 0 | 0 | 0 | 112.1 | H218 D219 V220 K226 | H218-F222 PolarHBondContact O-N 2.94Å; D219-F222 PolarHBondContact O-N 2.94Å; V220-F222 VanDerWaalsContact C-N 3.31Å; V220-F222 PolarHBondContact O-N 3.43Å; F222-K226 HydrophobicContact CD1-CD 4.36Å; F222-K226 HydrophobicContact CE1-CD 4.3Å; F222-K226 WeakPolarHBondContact O-CG 3.48Å; F222-K226 PolarHBondContact O-N 3.22Å; F222-K226 VanDerWaalsContact O-N 3.09Å |
| 223 | Q | 90.5 | Very high | 83.7 | Confident | 122 Ų | 122 | 99.6 Ų | 99.6 | 57% | 0.57 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66 | -40.2 | 172.1 | -75.3 | -174.8 | 7.7 | 0 | 0 | 111.7 | D219 V220 K226 I227 | D219-Q223 WeakPolarHBondContact O-CB 3.32Å; D219-Q223 VanDerWaalsContact O-CG 3.29Å; D219-Q223 WeakPolarHBondContact O-CG 3.3Å; D219-Q223 PolarHBondContact O-N 2.92Å; V220-Q223 PolarHBondContact O-N 2.84Å; Q223-K226 WeakPolarHBondContact O-CB 3.48Å; Q223-K226 PolarHBondContact O-N 3.09Å; Q223-I227 VanDerWaalsContact O-CG1 3.3Å; Q223-I227 WeakPolarHBondContact O-CG1 3.42Å; Q223-I227 PolarHBondContact O-N 3.41Å |
| 224 | Q | 92.9 | Very high | 85.3 | Confident | 99 Ų | 99 | 101.4 Ų | 101.4 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 175.2 | 179.9 | 173.7 | -14.9 | 0 | 0 | 111 | V220 D221 K226 I227 E228 | V220-Q224 WeakPolarHBondContact O-CB 3.49Å; V220-Q224 PolarHBondContact O-N 3.06Å; D221-Q224 PolarHBondContact O-N 2.95Å; Q224-K226 VanDerWaalsContact C-N 3.27Å; Q224-K226 PolarHBondContact O-N 2.91Å; Q224-I227 WeakPolarHBondContact O-CB 3.21Å; Q224-I227 PolarHBondContact O-N 2.96Å; Q224-E228 HydrophobicContact CG-CG 4.38Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.45Å; Q224-E228 PolarHBondContact NE2-OE1 2.97Å; Q224-E228 WeakPolarHBondContact O-CG 3.49Å; Q224-E228 PolarHBondContact O-N 2.94Å |
| 225 | L | 93.6 | Very high | 87 | Confident | 105 Ų | 105 | 102.9 Ų | 102.9 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -58.8 | -37.7 | 175.7 | -79.7 | 170.2 | 0 | 0 | 0 | 112.6 | D221 N229 | D221-L225 WeakPolarHBondContact O-CG 3.39Å; D221-L225 PolarHBondContact O-N 3.3Å; L225-N229 WeakPolarHBondContact O-CB 3.04Å; L225-N229 PolarHBondContact O-N 3.47Å |
| 226 | K | 95.9 | Very high | 88.8 | Confident | 126 Ų | 126 | 101.1 Ų | 101.1 | 55% | 0.548 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.6 | -42.5 | 174.3 | -77.2 | 177.6 | 177.2 | 175 | 0 | 112 | F222 Q223 Q224 A230 | F222-K226 HydrophobicContact CD1-CD 4.36Å; F222-K226 HydrophobicContact CE1-CD 4.3Å; F222-K226 WeakPolarHBondContact O-CG 3.48Å; F222-K226 PolarHBondContact O-N 3.22Å; F222-K226 VanDerWaalsContact O-N 3.09Å; Q223-K226 WeakPolarHBondContact O-CB 3.48Å; Q223-K226 PolarHBondContact O-N 3.09Å; Q224-K226 VanDerWaalsContact C-N 3.27Å; Q224-K226 PolarHBondContact O-N 2.91Å; K226-A230 WeakPolarHBondContact O-CB 3.43Å; K226-A230 PolarHBondContact O-N 3.35Å |
| 227 | I | 96.2 | Very high | 90.7 | Very high | 97 Ų | 97 | 103.5 Ų | 103.5 | 50% | 0.497 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 177.8 | -67.8 | 164.7 | 0 | 0 | 0 | 109.9 | Q223 Q224 N229 A230 Q231 | Q223-I227 VanDerWaalsContact O-CG1 3.3Å; Q223-I227 WeakPolarHBondContact O-CG1 3.42Å; Q223-I227 PolarHBondContact O-N 3.41Å; Q224-I227 WeakPolarHBondContact O-CB 3.21Å; Q224-I227 PolarHBondContact O-N 2.96Å; I227-N229 VanDerWaalsContact C-N 3.34Å; I227-N229 PolarHBondContact O-N 3.07Å; I227-A230 PolarHBondContact O-N 3.01Å; I227-Q231 HydrophobicContact CG2-CG 4.47Å; I227-Q231 WeakPolarHBondContact O-CG 3.49Å; I227-Q231 PolarHBondContact O-N 2.86Å |
| 228 | E | 96.8 | Very high | 92.4 | Very high | 67 Ų | 67 | 99.7 Ų | 99.7 | 31% | 0.313 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.1 | -44.2 | 178.2 | -72.1 | 177.4 | -170.6 | 0 | 0 | 111.5 | Q224 A230 Q231 F232 | Q224-E228 HydrophobicContact CG-CG 4.38Å; Q224-E228 WeakPolarHBondContact CG-OE1 3.45Å; Q224-E228 PolarHBondContact NE2-OE1 2.97Å; Q224-E228 WeakPolarHBondContact O-CG 3.49Å; Q224-E228 PolarHBondContact O-N 2.94Å; E228-A230 PolarHBondContact O-N 2.96Å; E228-Q231 PolarHBondContact O-N 3.26Å; E228-F232 HydrophobicContact CB-CE2 4.22Å; E228-F232 WeakPolarHBondContact O-CD2 3.45Å; E228-F232 WeakPolarHBondContact O-CG 3.42Å; E228-F232 PolarHBondContact O-N 3.33Å |
| 229 | N | 96.4 | Very high | 93.6 | Very high | 96 Ų | 96 | 102.5 Ų | 102.5 | 51% | 0.513 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.8 | -43.5 | 177 | -166 | -24.8 | 0 | 0 | 0 | 111.7 | L225 I227 Q231 F232 L233 | L225-N229 WeakPolarHBondContact O-CB 3.04Å; L225-N229 PolarHBondContact O-N 3.47Å; I227-N229 VanDerWaalsContact C-N 3.34Å; I227-N229 PolarHBondContact O-N 3.07Å; N229-Q231 VanDerWaalsContact C-N 3.34Å; N229-Q231 PolarHBondContact O-N 2.9Å; N229-F232 PolarHBondContact O-N 3.48Å; N229-L233 WeakPolarHBondContact O-CG 3.44Å; N229-L233 PolarHBondContact O-N 2.98Å |
| 230 | A | 97.7 | Very high | 94.7 | Very high | 56 Ų | 56 | 100.3 Ų | 100.3 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -43 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112 | K226 I227 E228 L233 E234 | K226-A230 WeakPolarHBondContact O-CB 3.43Å; K226-A230 PolarHBondContact O-N 3.35Å; I227-A230 PolarHBondContact O-N 3.01Å; E228-A230 PolarHBondContact O-N 2.96Å; A230-L233 PolarHBondContact O-N 2.82Å; A230-E234 PolarHBondContact O-N 2.93Å |
| 231 | Q | 97.9 | Very high | 95.6 | Very high | 108 Ų | 108 | 101.2 Ų | 101.2 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.8 | -40.4 | 176.2 | -71.5 | 174 | 0.4 | 0 | 0 | 112.4 | I227 E228 N229 E234 T235 | I227-Q231 HydrophobicContact CG2-CG 4.47Å; I227-Q231 WeakPolarHBondContact O-CG 3.49Å; I227-Q231 PolarHBondContact O-N 2.86Å; E228-Q231 PolarHBondContact O-N 3.26Å; N229-Q231 VanDerWaalsContact C-N 3.34Å; N229-Q231 PolarHBondContact O-N 2.9Å; Q231-E234 PolarHBondContact O-N 2.93Å; Q231-T235 WeakPolarHBondContact O-CB 3.22Å; Q231-T235 PolarHBondContact O-N 3.44Å; Q231-T235 PolarHBondContact O-OG1 3.26Å |
| 232 | F | 98.1 | Very high | 96.3 | Very high | 131 Ų | 131 | 103.2 Ų | 103.2 | 58% | 0.575 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.9 | -40.8 | 175.6 | -72.1 | -51.6 | 0 | 0 | 0 | 112 | E228 N229 T235 I236 | E228-F232 HydrophobicContact CB-CE2 4.22Å; E228-F232 WeakPolarHBondContact O-CD2 3.45Å; E228-F232 WeakPolarHBondContact O-CG 3.42Å; E228-F232 PolarHBondContact O-N 3.33Å; N229-F232 PolarHBondContact O-N 3.48Å; F232-T235 PolarHBondContact O-N 3.46Å; F232-I236 WeakPolarHBondContact O-CB 3.5Å; F232-I236 VanDerWaalsContact O-CG1 3.23Å; F232-I236 WeakPolarHBondContact O-CG1 3.36Å; F232-I236 PolarHBondContact O-N 3.01Å |
| 233 | L | 98 | Very high | 96.9 | Very high | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.6 | -45.9 | 175.5 | -74.3 | 171.6 | 0 | 0 | 0 | 111.6 | N229 A230 T235 I236 E237 | N229-L233 WeakPolarHBondContact O-CG 3.44Å; N229-L233 PolarHBondContact O-N 2.98Å; A230-L233 PolarHBondContact O-N 2.82Å; L233-T235 VanDerWaalsContact C-N 3.32Å; L233-T235 PolarHBondContact O-N 3.37Å; L233-I236 PolarHBondContact O-N 3.42Å; L233-E237 WeakPolarHBondContact O-CB 3.49Å; L233-E237 PolarHBondContact O-N 3.22Å |
| 234 | E | 97.8 | Very high | 97.3 | Very high | 140 Ų | 140 | 100.1 Ų | 100.1 | 65% | 0.654 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -61 | -42 | 176.4 | -173 | 175.3 | -166.4 | 0 | 0 | 111.5 | A230 Q231 I236 E237 A238 | A230-E234 PolarHBondContact O-N 2.93Å; Q231-E234 PolarHBondContact O-N 2.93Å; E234-I236 PolarHBondContact O-N 2.98Å; E234-E237 PolarHBondContact O-N 3.47Å; E234-A238 WeakPolarHBondContact O-CB 3.45Å; E234-A238 PolarHBondContact O-N 2.94Å |
| 235 | T | 98.2 | Very high | 97.5 | Very high | 76 Ų | 76 | 102 Ų | 102 | 47% | 0.466 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -43 | 176.2 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | Q231 F232 L233 E237 A238 R239 | Q231-T235 WeakPolarHBondContact O-CB 3.22Å; Q231-T235 PolarHBondContact O-N 3.44Å; Q231-T235 PolarHBondContact O-OG1 3.26Å; F232-T235 PolarHBondContact O-N 3.46Å; L233-T235 VanDerWaalsContact C-N 3.32Å; L233-T235 PolarHBondContact O-N 3.37Å; T235-E237 VanDerWaalsContact C-N 3.32Å; T235-A238 PolarHBondContact O-N 3.27Å; T235-R239 WeakPolarHBondContact O-CG 3.38Å; T235-R239 PolarHBondContact O-N 2.88Å |
| 236 | I | 98 | Very high | 97.7 | Very high | 94 Ų | 94 | 102.4 Ų | 102.4 | 48% | 0.482 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.1 | -43.5 | 176.3 | -72.2 | 165.2 | 0 | 0 | 0 | 110.1 | F232 L233 E234 R239 N240 | F232-I236 WeakPolarHBondContact O-CB 3.5Å; F232-I236 VanDerWaalsContact O-CG1 3.23Å; F232-I236 WeakPolarHBondContact O-CG1 3.36Å; F232-I236 PolarHBondContact O-N 3.01Å; L233-I236 PolarHBondContact O-N 3.42Å; E234-I236 PolarHBondContact O-N 2.98Å; I236-R239 PolarHBondContact O-N 3.43Å; I236-N240 WeakPolarHBondContact O-CB 3.23Å; I236-N240 VanDerWaalsContact O-CG 3.3Å; I236-N240 PolarHBondContact O-N 2.79Å; I236-N240 PolarHBondContact O-ND2 3.35Å |
| 237 | E | 98.1 | Very high | 97.8 | Very high | 124 Ų | 124 | 103 Ų | 103 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 180 | -167.2 | 156 | -149.2 | 0 | 0 | 111.7 | L233 E234 T235 R239 N240 Q241 | L233-E237 WeakPolarHBondContact O-CB 3.49Å; L233-E237 PolarHBondContact O-N 3.22Å; E234-E237 PolarHBondContact O-N 3.47Å; T235-E237 VanDerWaalsContact C-N 3.32Å; E237-R239 PolarHBondContact O-N 3.32Å; E237-N240 PolarHBondContact O-N 2.89Å; E237-Q241 WeakPolarHBondContact O-CG 3.47Å; E237-Q241 PolarHBondContact O-N 3.22Å |
| 238 | A | 98.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 103.7 Ų | 103.7 | 36% | 0.355 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.4 | -47 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112 | E234 T235 N240 Q241 E242 | E234-A238 WeakPolarHBondContact O-CB 3.45Å; E234-A238 PolarHBondContact O-N 2.94Å; T235-A238 PolarHBondContact O-N 3.27Å; A238-N240 VanDerWaalsContact C-N 3.33Å; A238-N240 PolarHBondContact O-N 2.88Å; A238-Q241 WeakPolarHBondContact O-CB 3.43Å; A238-Q241 PolarHBondContact O-N 3.49Å; A238-E242 WeakPolarHBondContact O-CG 3.47Å; A238-E242 PolarHBondContact O-N 3.23Å |
| 239 | R | 97.9 | Very high | 97.9 | Very high | 163 Ų | 163 | 103.2 Ų | 103.2 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -65.4 | -34.4 | 177.1 | -66.8 | -57.1 | 178.9 | 98 | 1.3 | 112.9 | T235 I236 E237 E242 L243 | T235-R239 WeakPolarHBondContact O-CG 3.38Å; T235-R239 PolarHBondContact O-N 2.88Å; I236-R239 PolarHBondContact O-N 3.43Å; E237-R239 PolarHBondContact O-N 3.32Å; R239-E242 WeakPolarHBondContact CD-OE2 3.48Å; R239-E242 IonicContact NE-OE2 2.65Å; R239-E242 PolarHBondContact O-N 3.23Å; R239-L243 WeakPolarHBondContact O-CB 3.33Å; R239-L243 PolarHBondContact O-N 3.35Å |
| 240 | N | 98.1 | Very high | 98 | Very high | 88 Ų | 88 | 102 Ų | 102 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.4 | -37.9 | 174.3 | -79.1 | -26 | 0 | 0 | 0 | 112.2 | I236 E237 A238 L243 T244 | I236-N240 WeakPolarHBondContact O-CB 3.23Å; I236-N240 VanDerWaalsContact O-CG 3.3Å; I236-N240 PolarHBondContact O-N 2.79Å; I236-N240 PolarHBondContact O-ND2 3.35Å; E237-N240 PolarHBondContact O-N 2.89Å; A238-N240 VanDerWaalsContact C-N 3.33Å; A238-N240 PolarHBondContact O-N 2.88Å; N240-L243 PolarHBondContact O-N 2.96Å; N240-T244 WeakPolarHBondContact O-CB 3.45Å; N240-T244 PolarHBondContact O-N 3.48Å; N240-T244 PolarHBondContact O-OG1 2.89Å |
| 241 | Q | 98.1 | Very high | 98 | Very high | 117 Ų | 117 | 100.9 Ų | 100.9 | 55% | 0.547 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | 173.8 | -69.9 | 175.5 | 15.2 | 0 | 0 | 111.1 | E237 A238 L243 T244 Q245 | E237-Q241 WeakPolarHBondContact O-CG 3.47Å; E237-Q241 PolarHBondContact O-N 3.22Å; A238-Q241 WeakPolarHBondContact O-CB 3.43Å; A238-Q241 PolarHBondContact O-N 3.49Å; Q241-L243 PolarHBondContact O-N 3.15Å; Q241-T244 WeakPolarHBondContact O-CB 3.33Å; Q241-T244 PolarHBondContact O-N 3.44Å; Q241-T244 VanDerWaalsContact O-N 3.15Å; Q241-Q245 WeakPolarHBondContact O-CG 3.33Å; Q241-Q245 PolarHBondContact O-N 3.49Å |
| 242 | E | 98.1 | Very high | 98 | Very high | 105 Ų | 105 | 100.1 Ų | 100.1 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.4 | -46.6 | 174.3 | -72.6 | 175.8 | -173.8 | 0 | 0 | 111.8 | A238 R239 T244 Q245 L246 | A238-E242 WeakPolarHBondContact O-CG 3.47Å; A238-E242 PolarHBondContact O-N 3.23Å; R239-E242 WeakPolarHBondContact CD-OE2 3.48Å; R239-E242 IonicContact NE-OE2 2.65Å; R239-E242 PolarHBondContact O-N 3.23Å; E242-T244 VanDerWaalsContact C-N 3.27Å; E242-T244 PolarHBondContact O-N 2.91Å; E242-Q245 PolarHBondContact O-N 2.92Å; E242-L246 WeakPolarHBondContact O-CG 3.39Å; E242-L246 PolarHBondContact O-N 2.94Å |
| 243 | L | 98.3 | Very high | 98 | Very high | 83 Ų | 83 | 98.1 Ų | 98.1 | 44% | 0.435 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59.9 | -39.7 | 176.9 | 178.4 | 62 | 0 | 0 | 0 | 111.7 | R239 N240 Q241 L246 K247 | R239-L243 WeakPolarHBondContact O-CB 3.33Å; R239-L243 PolarHBondContact O-N 3.35Å; N240-L243 PolarHBondContact O-N 2.96Å; Q241-L243 PolarHBondContact O-N 3.15Å; L243-L246 PolarHBondContact O-N 3.28Å; L243-K247 WeakPolarHBondContact O-CB 3.35Å; L243-K247 WeakPolarHBondContact O-CG 3.48Å; L243-K247 PolarHBondContact O-N 2.99Å |
| 244 | T | 98.2 | Very high | 98 | Very high | 81 Ų | 81 | 97.9 Ų | 97.9 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.2 | -44 | 177.8 | -58.6 | 0 | 0 | 0 | 0 | 111 | N240 Q241 E242 L246 K247 L248 | N240-T244 WeakPolarHBondContact O-CB 3.45Å; N240-T244 PolarHBondContact O-N 3.48Å; N240-T244 PolarHBondContact O-OG1 2.89Å; Q241-T244 WeakPolarHBondContact O-CB 3.33Å; Q241-T244 PolarHBondContact O-N 3.44Å; Q241-T244 VanDerWaalsContact O-N 3.15Å; E242-T244 VanDerWaalsContact C-N 3.27Å; E242-T244 PolarHBondContact O-N 2.91Å; T244-L246 PolarHBondContact O-N 2.89Å; T244-K247 PolarHBondContact O-N 3.49Å; T244-L248 HydrophobicContact CG2-CD1 4.49Å; T244-L248 WeakPolarHBondContact O-CG 3.38Å; T244-L248 PolarHBondContact O-N 3.26Å |
| 245 | Q | 98.1 | Very high | 98 | Very high | 138 Ų | 138 | 97.5 Ų | 97.5 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.4 | -43.3 | 174.9 | -70 | -174.2 | 4.3 | 0 | 0 | 112 | Q241 E242 K247 L248 S249 | Q241-Q245 WeakPolarHBondContact O-CG 3.33Å; Q241-Q245 PolarHBondContact O-N 3.49Å; E242-Q245 PolarHBondContact O-N 2.92Å; Q245-K247 VanDerWaalsContact C-N 3.35Å; Q245-K247 PolarHBondContact O-N 3.27Å; Q245-L248 PolarHBondContact O-N 3.48Å; Q245-S249 PolarHBondContact O-N 2.91Å; Q245-S249 PolarHBondContact O-OG 3.45Å |
| 246 | L | 98 | Very high | 98 | Very high | 114 Ų | 114 | 97.7 Ų | 97.7 | 60% | 0.597 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.9 | -37.6 | 175.9 | -75.6 | 170.2 | 0 | 0 | 0 | 112.5 | E242 L243 T244 S249 S250 | E242-L246 WeakPolarHBondContact O-CG 3.39Å; E242-L246 PolarHBondContact O-N 2.94Å; L243-L246 PolarHBondContact O-N 3.28Å; T244-L246 PolarHBondContact O-N 2.89Å; L246-S249 WeakPolarHBondContact CA-OG 3.19Å; L246-S249 PolarHBondContact O-OG 3.48Å; L246-S250 WeakPolarHBondContact O-CB 3.41Å; L246-S250 PolarHBondContact O-N 2.91Å |
| 247 | K | 98.1 | Very high | 98 | Very high | 138 Ų | 138 | 98.6 Ų | 98.6 | 60% | 0.6 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.5 | -42.6 | 174 | -79.1 | 178.6 | 177.4 | 179.3 | 0 | 111.8 | L243 T244 Q245 G251 | L243-K247 WeakPolarHBondContact O-CB 3.35Å; L243-K247 WeakPolarHBondContact O-CG 3.48Å; L243-K247 PolarHBondContact O-N 2.99Å; T244-K247 PolarHBondContact O-N 3.49Å; Q245-K247 VanDerWaalsContact C-N 3.35Å; Q245-K247 PolarHBondContact O-N 3.27Å; K247-G251 PolarHBondContact O-N 2.87Å |
| 248 | L | 97.9 | Very high | 98 | Very high | 112 Ų | 112 | 96.6 Ų | 96.6 | 59% | 0.586 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -64 | -45.8 | 176.6 | -71.1 | 171.5 | 0 | 0 | 0 | 111.4 | T244 Q245 G251 N252 | T244-L248 HydrophobicContact CG2-CD1 4.49Å; T244-L248 WeakPolarHBondContact O-CG 3.38Å; T244-L248 PolarHBondContact O-N 3.26Å; Q245-L248 PolarHBondContact O-N 3.48Å; L248-G251 PolarHBondContact O-N 3.26Å; L248-N252 VanDerWaalsContact O-CG 3.25Å; L248-N252 PolarHBondContact O-N 2.89Å; L248-N252 PolarHBondContact O-ND2 3.26Å |
| 249 | S | 97.6 | Very high | 98 | Very high | 57 Ų | 57 | 97 Ų | 97 | 40% | 0.399 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -42.1 | 178.1 | 70.6 | 0 | 0 | 0 | 0 | 111.9 | Q245 L246 N252 T253 | Q245-S249 PolarHBondContact O-N 2.91Å; Q245-S249 PolarHBondContact O-OG 3.45Å; L246-S249 WeakPolarHBondContact CA-OG 3.19Å; L246-S249 PolarHBondContact O-OG 3.48Å; S249-N252 PolarHBondContact O-N 3.24Å; S249-T253 WeakPolarHBondContact O-CG2 3.49Å; S249-T253 PolarHBondContact O-N 2.9Å; S249-T253 PolarHBondContact O-OG1 3Å |
| 250 | S | 97.8 | Very high | 98 | Very high | 71 Ų | 71 | 96.4 Ų | 96.4 | 50% | 0.497 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 173.3 | -176.1 | 0 | 0 | 0 | 0 | 112.4 | L246 T253 L254 | L246-S250 WeakPolarHBondContact O-CB 3.41Å; L246-S250 PolarHBondContact O-N 2.91Å; S250-T253 WeakPolarHBondContact CA-OG1 3.39Å; S250-T253 PolarHBondContact O-N 3.34Å; S250-T253 PolarHBondContact O-OG1 2.98Å; S250-L254 WeakPolarHBondContact O-CB 3.4Å; S250-L254 PolarHBondContact O-N 2.85Å |
| 251 | G | 98.1 | Very high | 98 | Very high | 32 Ų | 32 | 99.1 Ų | 99.1 | 33% | 0.33 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | K247 L248 L254 Q255 | K247-G251 PolarHBondContact O-N 2.87Å; L248-G251 PolarHBondContact O-N 3.26Å; G251-L254 PolarHBondContact O-N 3.44Å; G251-Q255 WeakPolarHBondContact O-CG 3.42Å; G251-Q255 PolarHBondContact O-N 3.42Å |
| 252 | N | 97.8 | Very high | 98 | Very high | 92 Ų | 92 | 96.3 Ų | 96.3 | 49% | 0.492 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.5 | -44.2 | 178.3 | -69.7 | -15.7 | 0 | 0 | 0 | 112.1 | L248 S249 L254 Q255 V256 | L248-N252 VanDerWaalsContact O-CG 3.25Å; L248-N252 PolarHBondContact O-N 2.89Å; L248-N252 PolarHBondContact O-ND2 3.26Å; S249-N252 PolarHBondContact O-N 3.24Å; N252-L254 VanDerWaalsContact C-N 3.3Å; N252-L254 PolarHBondContact O-N 2.97Å; N252-Q255 WeakPolarHBondContact O-CB 3.34Å; N252-Q255 PolarHBondContact O-N 2.99Å; N252-V256 WeakPolarHBondContact O-CG2 3.33Å; N252-V256 PolarHBondContact O-N 3.44Å |
| 253 | T | 97.8 | Very high | 98 | Very high | 90 Ų | 90 | 97.9 Ų | 97.9 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.8 | -37.5 | 177.1 | 55.4 | 0 | 0 | 0 | 0 | 111.4 | S249 S250 V256 L257 | S249-T253 WeakPolarHBondContact O-CG2 3.49Å; S249-T253 PolarHBondContact O-N 2.9Å; S249-T253 PolarHBondContact O-OG1 3Å; S250-T253 WeakPolarHBondContact CA-OG1 3.39Å; S250-T253 PolarHBondContact O-N 3.34Å; S250-T253 PolarHBondContact O-OG1 2.98Å; T253-V256 PolarHBondContact O-N 3.19Å; T253-L257 WeakPolarHBondContact O-CB 3.5Å; T253-L257 PolarHBondContact O-N 3.36Å |
| 254 | L | 98.2 | Very high | 98 | Very high | 97 Ų | 97 | 99.9 Ų | 99.9 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 174.8 | -172.2 | 138 | 0 | 0 | 0 | 112.4 | S250 G251 N252 L257 N258 | S250-L254 WeakPolarHBondContact O-CB 3.4Å; S250-L254 PolarHBondContact O-N 2.85Å; G251-L254 PolarHBondContact O-N 3.44Å; N252-L254 VanDerWaalsContact C-N 3.3Å; N252-L254 PolarHBondContact O-N 2.97Å; L254-L257 PolarHBondContact O-N 2.96Å; L254-N258 VanDerWaalsContact CD2-ND2 3.34Å; L254-N258 WeakPolarHBondContact CD2-ND2 3.34Å; L254-N258 WeakPolarHBondContact O-CB 3.43Å; L254-N258 PolarHBondContact O-N 3.49Å; L254-N258 PolarHBondContact O-ND2 2.99Å |
| 255 | Q | 97.9 | Very high | 98 | Very high | 132 Ų | 132 | 101.6 Ų | 101.6 | 62% | 0.617 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -46.7 | 172.8 | -72.8 | 178.6 | 8.5 | 0 | 0 | 111.7 | G251 N252 L257 N258 A259 | G251-Q255 WeakPolarHBondContact O-CG 3.42Å; G251-Q255 PolarHBondContact O-N 3.42Å; N252-Q255 WeakPolarHBondContact O-CB 3.34Å; N252-Q255 PolarHBondContact O-N 2.99Å; Q255-L257 PolarHBondContact O-N 2.91Å; Q255-N258 PolarHBondContact O-N 3.47Å; Q255-A259 PolarHBondContact O-N 3Å |
| 256 | V | 98.1 | Very high | 98 | Very high | 81 Ų | 81 | 101 Ų | 101 | 49% | 0.491 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 176.8 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | N252 T253 N258 A259 Y260 | N252-V256 WeakPolarHBondContact O-CG2 3.33Å; N252-V256 PolarHBondContact O-N 3.44Å; T253-V256 PolarHBondContact O-N 3.19Å; V256-N258 PolarHBondContact O-N 3.26Å; V256-A259 WeakPolarHBondContact O-CB 3.42Å; V256-A259 PolarHBondContact O-N 3.45Å; V256-Y260 HydrophobicContact CG1-CD2 3.72Å; V256-Y260 HydrophobicContact CG1-CE2 3.53Å; V256-Y260 VanDerWaalsContact O-CD2 3.26Å; V256-Y260 WeakPolarHBondContact O-CD2 3.26Å; V256-Y260 PolarHBondContact O-N 3.42Å |
| 257 | L | 98.1 | Very high | 98 | Very high | 113 Ų | 113 | 98.2 Ų | 98.2 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.1 | -45.7 | 176.7 | 179.3 | 63.4 | 0 | 0 | 0 | 111.6 | T253 L254 Q255 A259 Y260 K261 | T253-L257 WeakPolarHBondContact O-CB 3.5Å; T253-L257 PolarHBondContact O-N 3.36Å; L254-L257 PolarHBondContact O-N 2.96Å; Q255-L257 PolarHBondContact O-N 2.91Å; L257-A259 VanDerWaalsContact C-N 3.31Å; L257-A259 PolarHBondContact O-N 2.93Å; L257-Y260 PolarHBondContact O-N 3.31Å; L257-K261 WeakPolarHBondContact O-CB 3.43Å; L257-K261 PolarHBondContact O-N 3.3Å |
| 258 | N | 97.9 | Very high | 98 | Very high | 82 Ų | 82 | 96.6 Ų | 96.6 | 44% | 0.439 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -37.4 | 177.1 | -77.4 | -31.1 | 0 | 0 | 0 | 112.2 | L254 Q255 V256 K261 S262 | L254-N258 VanDerWaalsContact CD2-ND2 3.34Å; L254-N258 WeakPolarHBondContact CD2-ND2 3.34Å; L254-N258 WeakPolarHBondContact O-CB 3.43Å; L254-N258 PolarHBondContact O-N 3.49Å; L254-N258 PolarHBondContact O-ND2 2.99Å; Q255-N258 PolarHBondContact O-N 3.47Å; V256-N258 PolarHBondContact O-N 3.26Å; N258-K261 PolarHBondContact O-N 3.25Å; N258-S262 PolarHBondContact O-N 3.48Å |
| 259 | A | 98.1 | Very high | 98 | Very high | 50 Ų | 50 | 96 Ų | 96 | 41% | 0.413 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.2 | -45.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q255 V256 L257 S262 K263 | Q255-A259 PolarHBondContact O-N 3Å; V256-A259 WeakPolarHBondContact O-CB 3.42Å; V256-A259 PolarHBondContact O-N 3.45Å; L257-A259 VanDerWaalsContact C-N 3.31Å; L257-A259 PolarHBondContact O-N 2.93Å; A259-S262 PolarHBondContact O-N 2.93Å; A259-K263 WeakPolarHBondContact O-CG 3.4Å; A259-K263 PolarHBondContact O-N 2.85Å |
| 260 | Y | 98.1 | Very high | 98 | Very high | 151 Ų | 151 | 98 Ų | 98 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 175.1 | -80.1 | -68 | 0 | 0 | 0 | 112.6 | V256 L257 S262 K263 L264 | V256-Y260 HydrophobicContact CG1-CD2 3.72Å; V256-Y260 HydrophobicContact CG1-CE2 3.53Å; V256-Y260 VanDerWaalsContact O-CD2 3.26Å; V256-Y260 WeakPolarHBondContact O-CD2 3.26Å; V256-Y260 PolarHBondContact O-N 3.42Å; L257-Y260 PolarHBondContact O-N 3.31Å; Y260-S262 VanDerWaalsContact C-N 3.32Å; Y260-S262 PolarHBondContact O-N 3.43Å; Y260-K263 PolarHBondContact O-N 2.87Å; Y260-L264 WeakPolarHBondContact O-CB 3.42Å; Y260-L264 PolarHBondContact O-N 3.25Å |
| 261 | K | 98.3 | Very high | 98 | Very high | 146 Ų | 146 | 101.5 Ų | 101.5 | 64% | 0.635 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -59.3 | -43.3 | 174.9 | -169.8 | -178.7 | -176.6 | -177.5 | 0 | 111.5 | L257 N258 L264 H265 | L257-K261 WeakPolarHBondContact O-CB 3.43Å; L257-K261 PolarHBondContact O-N 3.3Å; N258-K261 PolarHBondContact O-N 3.25Å; K261-L264 PolarHBondContact O-N 2.97Å; K261-H265 WeakPolarHBondContact O-CB 3.49Å; K261-H265 PolarHBondContact O-N 3.03Å |
| 262 | S | 98.1 | Very high | 98 | Very high | 58 Ų | 58 | 103.3 Ų | 103.3 | 41% | 0.406 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 176 | -175.7 | 0 | 0 | 0 | 0 | 112.1 | N258 A259 Y260 L264 H265 K266 | N258-S262 PolarHBondContact O-N 3.48Å; A259-S262 PolarHBondContact O-N 2.93Å; Y260-S262 VanDerWaalsContact C-N 3.32Å; Y260-S262 PolarHBondContact O-N 3.43Å; S262-L264 PolarHBondContact O-N 3.37Å; S262-H265 PolarHBondContact O-N 3.37Å; S262-K266 WeakPolarHBondContact O-CG 3.44Å; S262-K266 PolarHBondContact O-N 3.43Å |
| 263 | K | 98.2 | Very high | 98 | Very high | 137 Ų | 137 | 103.6 Ų | 103.6 | 60% | 0.596 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.3 | -44.1 | 175.2 | -73.5 | 178.9 | -178.6 | -179.9 | 0 | 112 | A259 Y260 K266 A267 | A259-K263 WeakPolarHBondContact O-CG 3.4Å; A259-K263 PolarHBondContact O-N 2.85Å; Y260-K263 PolarHBondContact O-N 2.87Å; K263-K266 PolarHBondContact O-N 3.39Å; K263-A267 PolarHBondContact O-N 2.98Å |
| 264 | L | 98.1 | Very high | 98 | Very high | 125 Ų | 125 | 103.3 Ų | 103.3 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.3 | -44 | 177.1 | 179.9 | 64.3 | 0 | 0 | 0 | 111.4 | Y260 K261 S262 K266 A267 M268 | Y260-L264 WeakPolarHBondContact O-CB 3.42Å; Y260-L264 PolarHBondContact O-N 3.25Å; K261-L264 PolarHBondContact O-N 2.97Å; S262-L264 PolarHBondContact O-N 3.37Å; L264-K266 PolarHBondContact O-N 2.9Å; L264-A267 PolarHBondContact O-N 3.19Å; L264-M268 WeakPolarHBondContact O-CB 3.31Å; L264-M268 PolarHBondContact O-N 3.34Å |
| 265 | H | 97.9 | Very high | 98 | Very high | 117 Ų | 117 | 102.2 Ų | 102.2 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.1 | -44.6 | 178.1 | -162.9 | 65.2 | 0 | 0 | 0 | 111.8 | K261 S262 A267 M268 E269 | K261-H265 WeakPolarHBondContact O-CB 3.49Å; K261-H265 PolarHBondContact O-N 3.03Å; S262-H265 PolarHBondContact O-N 3.37Å; H265-A267 PolarHBondContact O-N 2.89Å; H265-M268 WeakPolarHBondContact O-CB 3.46Å; H265-M268 PolarHBondContact O-N 3.02Å; H265-E269 IonicContact CD2-OE1 2.79Å; H265-E269 IonicContact NE2-OE1 2.98Å; H265-E269 PolarHBondContact O-N 3.47Å |
| 266 | K | 98.2 | Very high | 98 | Very high | 126 Ų | 126 | 101.5 Ų | 101.5 | 55% | 0.548 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 174.3 | -70.7 | 175 | -179.8 | -177.5 | 0 | 112.2 | S262 K263 L264 M268 E269 I270 | S262-K266 WeakPolarHBondContact O-CG 3.44Å; S262-K266 PolarHBondContact O-N 3.43Å; K263-K266 PolarHBondContact O-N 3.39Å; L264-K266 PolarHBondContact O-N 2.9Å; K266-M268 VanDerWaalsContact C-N 3.29Å; K266-M268 PolarHBondContact O-N 2.92Å; K266-E269 PolarHBondContact O-N 3.4Å; K266-I270 VanDerWaalsContact O-CG1 3.31Å; K266-I270 WeakPolarHBondContact O-CG1 3.42Å; K266-I270 PolarHBondContact O-N 3.44Å |
| 267 | A | 97.9 | Very high | 98 | Very high | 55 Ų | 55 | 101.3 Ų | 101.3 | 46% | 0.455 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | K263 L264 H265 I270 Y271 | K263-A267 PolarHBondContact O-N 2.98Å; L264-A267 PolarHBondContact O-N 3.19Å; H265-A267 PolarHBondContact O-N 2.89Å; A267-I270 PolarHBondContact O-N 3.46Å; A267-Y271 WeakPolarHBondContact O-CB 3.42Å; A267-Y271 PolarHBondContact O-N 3.24Å |
| 268 | M | 98.1 | Very high | 98 | Very high | 104 Ų | 104 | 99.6 Ų | 99.6 | 51% | 0.512 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -42.7 | 175.9 | -169.8 | 66.9 | 172.4 | 0 | 0 | 112.1 | L264 H265 K266 Y271 I272 | L264-M268 WeakPolarHBondContact O-CB 3.31Å; L264-M268 PolarHBondContact O-N 3.34Å; H265-M268 WeakPolarHBondContact O-CB 3.46Å; H265-M268 PolarHBondContact O-N 3.02Å; K266-M268 VanDerWaalsContact C-N 3.29Å; K266-M268 PolarHBondContact O-N 2.92Å; M268-Y271 WeakPolarHBondContact O-CB 3.44Å; M268-Y271 PolarHBondContact O-N 3.26Å; M268-I272 HydrophobicContact CG-CD1 4.15Å; M268-I272 VanDerWaalsContact O-CG1 3.31Å; M268-I272 WeakPolarHBondContact O-CG1 3.49Å; M268-I272 PolarHBondContact O-N 2.93Å |
| 269 | E | 98 | Very high | 98 | Very high | 99 Ų | 99 | 99.9 Ų | 99.9 | 46% | 0.463 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 174.3 | -74.3 | 179.4 | 165.2 | 0 | 0 | 111.7 | H265 K266 Y271 I272 N273 | H265-E269 IonicContact CD2-OE1 2.79Å; H265-E269 IonicContact NE2-OE1 2.98Å; H265-E269 PolarHBondContact O-N 3.47Å; K266-E269 PolarHBondContact O-N 3.4Å; E269-Y271 VanDerWaalsContact C-N 3.34Å; E269-Y271 PolarHBondContact O-N 2.86Å; E269-I272 PolarHBondContact O-N 3.36Å; E269-N273 WeakPolarHBondContact O-CB 3.31Å; E269-N273 VanDerWaalsContact O-CG 3.26Å; E269-N273 PolarHBondContact O-N 3.33Å; E269-N273 PolarHBondContact O-ND2 3.49Å |
| 270 | I | 97.6 | Very high | 97.9 | Very high | 101 Ų | 101 | 102.9 Ų | 102.9 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -45.4 | 175.5 | -67.6 | 165.3 | 0 | 0 | 0 | 110.4 | K266 A267 I272 N273 L274 | K266-I270 VanDerWaalsContact O-CG1 3.31Å; K266-I270 WeakPolarHBondContact O-CG1 3.42Å; K266-I270 PolarHBondContact O-N 3.44Å; A267-I270 PolarHBondContact O-N 3.46Å; I270-I272 PolarHBondContact O-N 2.88Å; I270-N273 PolarHBondContact O-N 3.02Å; I270-L274 HydrophobicContact CG2-CD1 3.8Å; I270-L274 HydrophobicContact CG2-CG 4.32Å; I270-L274 WeakPolarHBondContact O-CB 3.47Å; I270-L274 WeakPolarHBondContact O-CG 3.49Å; I270-L274 PolarHBondContact O-N 3.28Å |
| 271 | Y | 97.8 | Very high | 97.9 | Very high | 143 Ų | 143 | 102.6 Ų | 102.6 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -57.9 | -48.6 | 176.5 | 173.2 | -92.6 | 0 | 0 | 0 | 111.8 | A267 M268 E269 N273 L274 D275 | A267-Y271 WeakPolarHBondContact O-CB 3.42Å; A267-Y271 PolarHBondContact O-N 3.24Å; M268-Y271 WeakPolarHBondContact O-CB 3.44Å; M268-Y271 PolarHBondContact O-N 3.26Å; E269-Y271 VanDerWaalsContact C-N 3.34Å; E269-Y271 PolarHBondContact O-N 2.86Å; Y271-N273 VanDerWaalsContact C-N 3.28Å; Y271-N273 PolarHBondContact O-N 3.49Å; Y271-L274 PolarHBondContact O-N 3.24Å; Y271-D275 WeakPolarHBondContact O-CB 3.46Å; Y271-D275 PolarHBondContact O-N 3.34Å |
| 272 | I | 97.9 | Very high | 97.9 | Very high | 71 Ų | 71 | 102.1 Ų | 102.1 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60 | -40.3 | 178.1 | -69.7 | 163.2 | 0 | 0 | 0 | 111.1 | M268 E269 I270 K276 | M268-I272 HydrophobicContact CG-CD1 4.15Å; M268-I272 VanDerWaalsContact O-CG1 3.31Å; M268-I272 WeakPolarHBondContact O-CG1 3.49Å; M268-I272 PolarHBondContact O-N 2.93Å; E269-I272 PolarHBondContact O-N 3.36Å; I270-I272 PolarHBondContact O-N 2.88Å; I272-K276 WeakPolarHBondContact O-CG 3.45Å; I272-K276 PolarHBondContact O-N 2.65Å; I272-K276 VanDerWaalsContact O-N 3.15Å |
| 273 | N | 97.7 | Very high | 97.9 | Very high | 98 Ų | 98 | 104.6 Ų | 104.6 | 52% | 0.524 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -68.9 | -41.9 | 178.3 | -70.8 | -21.7 | 0 | 0 | 0 | 112.1 | E269 I270 Y271 K276 E277 | E269-N273 WeakPolarHBondContact O-CB 3.31Å; E269-N273 VanDerWaalsContact O-CG 3.26Å; E269-N273 PolarHBondContact O-N 3.33Å; E269-N273 PolarHBondContact O-ND2 3.49Å; I270-N273 PolarHBondContact O-N 3.02Å; Y271-N273 VanDerWaalsContact C-N 3.28Å; Y271-N273 PolarHBondContact O-N 3.49Å; N273-K276 PolarHBondContact O-N 2.98Å; N273-E277 WeakPolarHBondContact O-CB 3.26Å; N273-E277 PolarHBondContact O-N 3.29Å |
| 274 | L | 97.8 | Very high | 97.8 | Very high | 83 Ų | 83 | 102.9 Ų | 102.9 | 44% | 0.435 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -41.3 | 175.2 | -78.1 | 168.8 | 0 | 0 | 0 | 111.6 | I270 Y271 K276 E277 I278 | I270-L274 HydrophobicContact CG2-CD1 3.8Å; I270-L274 HydrophobicContact CG2-CG 4.32Å; I270-L274 WeakPolarHBondContact O-CB 3.47Å; I270-L274 WeakPolarHBondContact O-CG 3.49Å; I270-L274 PolarHBondContact O-N 3.28Å; Y271-L274 PolarHBondContact O-N 3.24Å; L274-K276 PolarHBondContact O-N 2.9Å; L274-E277 PolarHBondContact O-N 2.81Å; L274-E277 VanDerWaalsContact O-N 3.16Å; L274-I278 WeakPolarHBondContact O-CB 3.38Å; L274-I278 VanDerWaalsContact O-CG1 3.26Å; L274-I278 WeakPolarHBondContact O-CG1 3.43Å; L274-I278 PolarHBondContact O-N 2.97Å |
| 275 | D | 97.9 | Very high | 97.8 | Very high | 74 Ų | 74 | 101.4 Ų | 101.4 | 40% | 0.396 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 177.3 | -170.6 | 58.4 | 0 | 0 | 0 | 111.3 | Y271 E277 I278 L279 | Y271-D275 WeakPolarHBondContact O-CB 3.46Å; Y271-D275 PolarHBondContact O-N 3.34Å; D275-E277 VanDerWaalsContact C-N 3.34Å; D275-E277 PolarHBondContact O-N 3.44Å; D275-I278 PolarHBondContact O-N 2.91Å; D275-L279 WeakPolarHBondContact O-CG 3.4Å; D275-L279 PolarHBondContact O-N 2.97Å |
| 276 | K | 97.8 | Very high | 97.8 | Very high | 118 Ų | 118 | 99.1 Ų | 99.1 | 51% | 0.513 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 171.5 | -70.1 | 172.3 | -175.2 | 173.9 | 0 | 112.2 | I272 N273 L274 I278 L279 L280 | I272-K276 WeakPolarHBondContact O-CG 3.45Å; I272-K276 PolarHBondContact O-N 2.65Å; I272-K276 VanDerWaalsContact O-N 3.15Å; N273-K276 PolarHBondContact O-N 2.98Å; L274-K276 PolarHBondContact O-N 2.9Å; K276-I278 VanDerWaalsContact C-N 3.34Å; K276-L279 PolarHBondContact O-N 3.43Å; K276-L280 WeakPolarHBondContact O-CG 3.5Å; K276-L280 PolarHBondContact O-N 3.34Å |
| 277 | E | 98.1 | Very high | 97.8 | Very high | 76 Ų | 76 | 98.9 Ų | 98.9 | 36% | 0.355 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.3 | -38.8 | 179.3 | -162.3 | -172.3 | -170.5 | 0 | 0 | 111.8 | N273 L274 D275 L280 R281 | N273-E277 WeakPolarHBondContact O-CB 3.26Å; N273-E277 PolarHBondContact O-N 3.29Å; L274-E277 PolarHBondContact O-N 2.81Å; L274-E277 VanDerWaalsContact O-N 3.16Å; D275-E277 VanDerWaalsContact C-N 3.34Å; D275-E277 PolarHBondContact O-N 3.44Å; E277-L280 PolarHBondContact O-N 3.16Å; E277-R281 VanDerWaalsContact CD-CZ 3.46Å; E277-R281 WeakPolarHBondContact O-CB 3.48Å; E277-R281 WeakPolarHBondContact O-CG 3.48Å; E277-R281 PolarHBondContact O-N 2.94Å; E277-R281 IonicContact OE1-CZ 3.51Å; E277-R281 IonicContact OE1-NH1 3.85Å; E277-R281 PolarHBondContact OE1-NH1 3.49Å; E277-R281 IonicContact OE1-NH2 2.89Å; E277-R281 PolarHBondContact OE1-NH2 3.39Å; E277-R281 IonicContact OE2-CZ 3.68Å; E277-R281 IonicContact OE2-NH1 2.64Å; E277-R281 PolarHBondContact OE2-NH1 3.15Å |
| 278 | I | 97.9 | Very high | 97.7 | Very high | 78 Ų | 78 | 100.3 Ų | 100.3 | 40% | 0.4 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 174.1 | -71.7 | 165.9 | 0 | 0 | 0 | 110.3 | L274 D275 K276 R281 K282 | L274-I278 WeakPolarHBondContact O-CB 3.38Å; L274-I278 VanDerWaalsContact O-CG1 3.26Å; L274-I278 WeakPolarHBondContact O-CG1 3.43Å; L274-I278 PolarHBondContact O-N 2.97Å; D275-I278 PolarHBondContact O-N 2.91Å; K276-I278 VanDerWaalsContact C-N 3.34Å; I278-R281 PolarHBondContact O-N 2.96Å; I278-K282 HydrophobicContact CG2-CD 4.17Å; I278-K282 HydrophobicContact CG2-CG 4.49Å; I278-K282 WeakPolarHBondContact O-CG 3.49Å; I278-K282 PolarHBondContact O-N 2.91Å |
| 279 | L | 97.9 | Very high | 97.6 | Very high | 88 Ų | 88 | 100.5 Ų | 100.5 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.1 | -48.6 | 176.4 | -71.5 | 172.3 | 0 | 0 | 0 | 111.4 | D275 K276 R281 K282 E283 | D275-L279 WeakPolarHBondContact O-CG 3.4Å; D275-L279 PolarHBondContact O-N 2.97Å; K276-L279 PolarHBondContact O-N 3.43Å; L279-R281 VanDerWaalsContact C-N 3.33Å; L279-R281 PolarHBondContact O-N 3.17Å; L279-K282 WeakPolarHBondContact O-CB 3.35Å; L279-K282 PolarHBondContact O-N 3.4Å; L279-K282 VanDerWaalsContact O-N 3.17Å; L279-E283 WeakPolarHBondContact O-CG 3.37Å; L279-E283 PolarHBondContact O-N 3.39Å |
| 280 | L | 97.8 | Very high | 97.6 | Very high | 112 Ų | 112 | 101.6 Ų | 101.6 | 59% | 0.586 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -60.2 | -41.4 | 177.1 | -70.1 | 173.5 | 0 | 0 | 0 | 112.3 | K276 E277 E283 L284 | K276-L280 WeakPolarHBondContact O-CG 3.5Å; K276-L280 PolarHBondContact O-N 3.34Å; E277-L280 PolarHBondContact O-N 3.16Å; L280-E283 PolarHBondContact O-N 3.43Å; L280-L284 WeakPolarHBondContact O-CB 3.35Å; L280-L284 PolarHBondContact O-N 3Å |
| 281 | R | 97.4 | Very high | 97.5 | Very high | 146 Ų | 146 | 102.9 Ų | 102.9 | 55% | 0.551 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | 175.6 | -78.5 | -174 | 175.5 | 112.2 | 8.4 | 112.2 | E277 I278 L279 L284 L285 | E277-R281 VanDerWaalsContact CD-CZ 3.46Å; E277-R281 WeakPolarHBondContact O-CB 3.48Å; E277-R281 WeakPolarHBondContact O-CG 3.48Å; E277-R281 PolarHBondContact O-N 2.94Å; E277-R281 IonicContact OE1-CZ 3.51Å; E277-R281 IonicContact OE1-NH1 3.85Å; E277-R281 PolarHBondContact OE1-NH1 3.49Å; E277-R281 IonicContact OE1-NH2 2.89Å; E277-R281 PolarHBondContact OE1-NH2 3.39Å; E277-R281 IonicContact OE2-CZ 3.68Å; E277-R281 IonicContact OE2-NH1 2.64Å; E277-R281 PolarHBondContact OE2-NH1 3.15Å; I278-R281 PolarHBondContact O-N 2.96Å; L279-R281 VanDerWaalsContact C-N 3.33Å; L279-R281 PolarHBondContact O-N 3.17Å; R281-L284 PolarHBondContact O-N 2.98Å; R281-L285 VanDerWaalsContact O-CB 3.31Å; R281-L285 WeakPolarHBondContact O-CB 3.31Å; R281-L285 PolarHBondContact O-N 3.31Å |
| 282 | K | 97.6 | Very high | 97.4 | Very high | 135 Ų | 135 | 99.3 Ų | 99.3 | 59% | 0.587 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.6 | -43.6 | 175.6 | -76.4 | 176.3 | 177.7 | 178.3 | 0 | 111.7 | I278 L279 L284 L285 D286 | I278-K282 HydrophobicContact CG2-CD 4.17Å; I278-K282 HydrophobicContact CG2-CG 4.49Å; I278-K282 WeakPolarHBondContact O-CG 3.49Å; I278-K282 PolarHBondContact O-N 2.91Å; L279-K282 WeakPolarHBondContact O-CB 3.35Å; L279-K282 PolarHBondContact O-N 3.4Å; L279-K282 VanDerWaalsContact O-N 3.17Å; K282-L284 VanDerWaalsContact C-N 3.34Å; K282-L284 PolarHBondContact O-N 2.98Å; K282-L285 PolarHBondContact O-N 3.22Å; K282-D286 PolarHBondContact O-N 3.49Å |
| 283 | E | 97.5 | Very high | 97.4 | Very high | 111 Ų | 111 | 101 Ų | 101 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 175.9 | -71.9 | 177.6 | -174.6 | 0 | 0 | 112.4 | L279 L280 K287 | L279-E283 WeakPolarHBondContact O-CG 3.37Å; L279-E283 PolarHBondContact O-N 3.39Å; L280-E283 PolarHBondContact O-N 3.43Å; E283-K287 WeakPolarHBondContact O-CG 3.16Å; E283-K287 PolarHBondContact O-N 3.15Å |
| 284 | L | 97.4 | Very high | 97.3 | Very high | 100 Ų | 100 | 100.6 Ų | 100.6 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 175.2 | 179.5 | 62 | 0 | 0 | 0 | 111.4 | L280 R281 K282 K287 I288 | L280-L284 WeakPolarHBondContact O-CB 3.35Å; L280-L284 PolarHBondContact O-N 3Å; R281-L284 PolarHBondContact O-N 2.98Å; K282-L284 VanDerWaalsContact C-N 3.34Å; K282-L284 PolarHBondContact O-N 2.98Å; L284-K287 WeakPolarHBondContact O-CB 3.4Å; L284-K287 PolarHBondContact O-N 3.29Å; L284-I288 HydrophobicContact CD1-CD1 4.25Å; L284-I288 HydrophobicContact CD1-CG1 4.46Å; L284-I288 HydrophobicContact CG-CD1 4Å; L284-I288 WeakPolarHBondContact O-CG1 3.43Å; L284-I288 PolarHBondContact O-N 2.8Å |
| 285 | L | 97.8 | Very high | 97.3 | Very high | 94 Ų | 94 | 101.3 Ų | 101.3 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.5 | -45.3 | 178.5 | -169.4 | 155.6 | 0 | 0 | 0 | 110.9 | R281 K282 K287 I288 E289 | R281-L285 VanDerWaalsContact O-CB 3.31Å; R281-L285 WeakPolarHBondContact O-CB 3.31Å; R281-L285 PolarHBondContact O-N 3.31Å; K282-L285 PolarHBondContact O-N 3.22Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.2Å; L285-I288 PolarHBondContact O-N 3.34Å; L285-I288 VanDerWaalsContact O-N 3.15Å; L285-E289 HydrophobicContact CD2-CG 3.89Å; L285-E289 WeakPolarHBondContact CD2-OE1 3.48Å; L285-E289 WeakPolarHBondContact O-CG 3.45Å; L285-E289 PolarHBondContact O-N 3.27Å |
| 286 | D | 97.8 | Very high | 97.2 | Very high | 69 Ų | 69 | 102.1 Ų | 102.1 | 37% | 0.369 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.3 | -37.1 | 175.3 | 178.3 | 59.8 | 0 | 0 | 0 | 112.5 | K282 K290 | K282-D286 PolarHBondContact O-N 3.49Å; D286-K290 WeakPolarHBondContact O-CG 3.48Å; D286-K290 PolarHBondContact O-N 3.46Å; D286-K290 VanDerWaalsContact O-N 3.14Å; D286-K290 WeakPolarHBondContact OD1-CE 3.28Å; D286-K290 IonicContact OD1-NZ 3.95Å; D286-K290 WeakPolarHBondContact OD2-CE 3.41Å; D286-K290 IonicContact OD2-NZ 2.6Å; D286-K290 PolarHBondContact OD2-NZ 3.24Å |
| 287 | K | 97.2 | Very high | 97.1 | Very high | 121 Ų | 121 | 101.6 Ų | 101.6 | 53% | 0.526 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.1 | -46.7 | 173.4 | -70.1 | 173.7 | -171.9 | 174.1 | 0 | 112 | E283 L284 L285 E289 K290 E291 | E283-K287 WeakPolarHBondContact O-CG 3.16Å; E283-K287 PolarHBondContact O-N 3.15Å; L284-K287 WeakPolarHBondContact O-CB 3.4Å; L284-K287 PolarHBondContact O-N 3.29Å; L285-K287 VanDerWaalsContact C-N 3.29Å; L285-K287 PolarHBondContact O-N 3.2Å; K287-E289 VanDerWaalsContact C-N 3.32Å; K287-E289 PolarHBondContact O-N 2.69Å; K287-K290 PolarHBondContact O-N 2.85Å; K287-E291 WeakPolarHBondContact O-CG 3.28Å; K287-E291 PolarHBondContact O-N 3.36Å |
| 288 | I | 96.8 | Very high | 97 | Very high | 86 Ų | 86 | 101.5 Ų | 101.5 | 44% | 0.441 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 179 | -68 | 169.9 | 0 | 0 | 0 | 110.6 | L284 L285 E291 T292 | L284-I288 HydrophobicContact CD1-CD1 4.25Å; L284-I288 HydrophobicContact CD1-CG1 4.46Å; L284-I288 HydrophobicContact CG-CD1 4Å; L284-I288 WeakPolarHBondContact O-CG1 3.43Å; L284-I288 PolarHBondContact O-N 2.8Å; L285-I288 PolarHBondContact O-N 3.34Å; L285-I288 VanDerWaalsContact O-N 3.15Å; I288-E291 PolarHBondContact O-N 2.96Å; I288-T292 VanDerWaalsContact O-CB 3.31Å; I288-T292 WeakPolarHBondContact O-CB 3.38Å; I288-T292 PolarHBondContact O-N 2.91Å; I288-T292 PolarHBondContact O-OG1 2.89Å |
| 289 | E | 97.1 | Very high | 96.9 | Very high | 108 Ų | 108 | 104.6 Ų | 104.6 | 51% | 0.505 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -45.3 | 175.7 | -76.3 | -178.5 | 165 | 0 | 0 | 111.4 | L285 K287 T292 L293 | L285-E289 HydrophobicContact CD2-CG 3.89Å; L285-E289 WeakPolarHBondContact CD2-OE1 3.48Å; L285-E289 WeakPolarHBondContact O-CG 3.45Å; L285-E289 PolarHBondContact O-N 3.27Å; K287-E289 VanDerWaalsContact C-N 3.32Å; K287-E289 PolarHBondContact O-N 2.69Å; E289-T292 PolarHBondContact O-N 2.82Å; E289-L293 WeakPolarHBondContact O-CG 3.31Å; E289-L293 PolarHBondContact O-N 3.47Å |
| 290 | K | 96.4 | Very high | 96.9 | Very high | 121 Ų | 121 | 103 Ų | 103 | 53% | 0.526 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -44.9 | 175.1 | -71.6 | 169.9 | -170.2 | 164 | 0 | 112.5 | D286 K287 T292 L293 Q294 | D286-K290 WeakPolarHBondContact O-CG 3.48Å; D286-K290 PolarHBondContact O-N 3.46Å; D286-K290 VanDerWaalsContact O-N 3.14Å; D286-K290 WeakPolarHBondContact OD1-CE 3.28Å; D286-K290 IonicContact OD1-NZ 3.95Å; D286-K290 WeakPolarHBondContact OD2-CE 3.41Å; D286-K290 IonicContact OD2-NZ 2.6Å; D286-K290 PolarHBondContact OD2-NZ 3.24Å; K287-K290 PolarHBondContact O-N 2.85Å; K290-T292 VanDerWaalsContact C-N 3.31Å; K290-T292 PolarHBondContact O-N 3.43Å; K290-L293 PolarHBondContact O-N 3.42Å; K290-Q294 PolarHBondContact O-N 3.47Å |
| 291 | E | 96.5 | Very high | 96.8 | Very high | 128 Ų | 128 | 103 Ų | 103 | 60% | 0.598 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -40.1 | 175.6 | -73.7 | 176.1 | -171 | 0 | 0 | 111.5 | K287 I288 Q294 V295 | K287-E291 WeakPolarHBondContact O-CG 3.28Å; K287-E291 PolarHBondContact O-N 3.36Å; I288-E291 PolarHBondContact O-N 2.96Å; E291-Q294 PolarHBondContact O-N 2.87Å; E291-V295 WeakPolarHBondContact O-CB 3.34Å; E291-V295 VanDerWaalsContact O-CG2 3.28Å; E291-V295 WeakPolarHBondContact O-CG2 3.35Å; E291-V295 PolarHBondContact O-N 3.45Å |
| 292 | T | 96.3 | Very high | 96.7 | Very high | 68 Ų | 68 | 99 Ų | 99 | 42% | 0.417 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 178 | -56.8 | 0 | 0 | 0 | 0 | 110.8 | I288 E289 K290 Q294 V295 E296 | I288-T292 VanDerWaalsContact O-CB 3.31Å; I288-T292 WeakPolarHBondContact O-CB 3.38Å; I288-T292 PolarHBondContact O-N 2.91Å; I288-T292 PolarHBondContact O-OG1 2.89Å; E289-T292 PolarHBondContact O-N 2.82Å; K290-T292 VanDerWaalsContact C-N 3.31Å; K290-T292 PolarHBondContact O-N 3.43Å; T292-Q294 VanDerWaalsContact C-N 3.33Å; T292-Q294 PolarHBondContact O-N 3.27Å; T292-V295 PolarHBondContact O-N 3.49Å; T292-E296 WeakPolarHBondContact O-CG 3.47Å; T292-E296 PolarHBondContact O-N 3.14Å |
| 293 | L | 96.5 | Very high | 96.6 | Very high | 106 Ų | 106 | 96.8 Ų | 96.8 | 56% | 0.555 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -58.4 | -45.4 | 174.6 | -72.1 | 172.3 | 0 | 0 | 0 | 111.5 | E289 K290 V295 E296 E297 | E289-L293 WeakPolarHBondContact O-CG 3.31Å; E289-L293 PolarHBondContact O-N 3.47Å; K290-L293 PolarHBondContact O-N 3.42Å; L293-V295 PolarHBondContact O-N 3.27Å; L293-E296 PolarHBondContact O-N 2.64Å; L293-E297 WeakPolarHBondContact O-CG 3.4Å; L293-E297 PolarHBondContact O-N 3Å |
| 294 | Q | 96.4 | Very high | 96.4 | Very high | 91 Ų | 91 | 94 Ų | 94 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 177.2 | -177.1 | 60.5 | 49.6 | 0 | 0 | 111.8 | K290 E291 T292 E296 E297 D298 | K290-Q294 PolarHBondContact O-N 3.47Å; E291-Q294 PolarHBondContact O-N 2.87Å; T292-Q294 VanDerWaalsContact C-N 3.33Å; T292-Q294 PolarHBondContact O-N 3.27Å; Q294-E296 VanDerWaalsContact C-N 3.33Å; Q294-E296 PolarHBondContact O-N 2.98Å; Q294-E297 PolarHBondContact O-N 3.45Å; Q294-D298 PolarHBondContact NE2-OD1 2.95Å; Q294-D298 PolarHBondContact NE2-OD2 2.85Å; Q294-D298 WeakPolarHBondContact O-CB 3.37Å; Q294-D298 PolarHBondContact O-N 2.84Å |
| 295 | V | 97 | Very high | 96.3 | Very high | 98 Ų | 98 | 92.4 Ų | 92.4 | 59% | 0.594 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -63.9 | -38.1 | 177.3 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | E291 T292 L293 D298 R299 | E291-V295 WeakPolarHBondContact O-CB 3.34Å; E291-V295 VanDerWaalsContact O-CG2 3.28Å; E291-V295 WeakPolarHBondContact O-CG2 3.35Å; E291-V295 PolarHBondContact O-N 3.45Å; T292-V295 PolarHBondContact O-N 3.49Å; L293-V295 PolarHBondContact O-N 3.27Å; V295-D298 PolarHBondContact O-N 3.31Å; V295-R299 VanDerWaalsContact O-CB 3.28Å; V295-R299 WeakPolarHBondContact O-CB 3.39Å; V295-R299 PolarHBondContact O-N 3.02Å |
| 296 | E | 96.4 | Very high | 96.2 | Very high | 91 Ų | 91 | 91.6 Ų | 91.6 | 43% | 0.425 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 175.5 | -75.9 | -169.5 | 157.1 | 0 | 0 | 112.6 | T292 L293 Q294 R299 A300 | T292-E296 WeakPolarHBondContact O-CG 3.47Å; T292-E296 PolarHBondContact O-N 3.14Å; L293-E296 PolarHBondContact O-N 2.64Å; Q294-E296 VanDerWaalsContact C-N 3.33Å; Q294-E296 PolarHBondContact O-N 2.98Å; E296-R299 PolarHBondContact O-N 3.34Å; E296-A300 WeakPolarHBondContact O-CB 3.32Å; E296-A300 PolarHBondContact O-N 2.81Å |
| 297 | E | 96.1 | Very high | 96 | Very high | 107 Ų | 107 | 94.4 Ų | 94.4 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 173.1 | -74.3 | -172.8 | -175.1 | 0 | 0 | 111.5 | L293 Q294 A300 K301 | L293-E297 WeakPolarHBondContact O-CG 3.4Å; L293-E297 PolarHBondContact O-N 3Å; Q294-E297 PolarHBondContact O-N 3.45Å; E297-A300 PolarHBondContact O-N 3.48Å; E297-K301 WeakPolarHBondContact O-CG 3.38Å; E297-K301 PolarHBondContact O-N 3.27Å; E297-K301 IonicContact OE2-NZ 3.03Å |
| 298 | D | 95.8 | Very high | 95.8 | Very high | 73 Ų | 73 | 95.8 Ų | 95.8 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.5 | -36.9 | -179.3 | -68.5 | -23.1 | 0 | 0 | 0 | 111.6 | Q294 V295 K301 A302 | Q294-D298 PolarHBondContact NE2-OD1 2.95Å; Q294-D298 PolarHBondContact NE2-OD2 2.85Å; Q294-D298 WeakPolarHBondContact O-CB 3.37Å; Q294-D298 PolarHBondContact O-N 2.84Å; V295-D298 PolarHBondContact O-N 3.31Å; D298-K301 PolarHBondContact O-N 2.92Å; D298-K301 IonicContact OD1-NZ 3.11Å; D298-K301 PolarHBondContact OD1-NZ 2.93Å; D298-A302 WeakPolarHBondContact O-CB 3.34Å; D298-A302 PolarHBondContact O-N 3.22Å |
| 299 | R | 96 | Very high | 95.6 | Very high | 143 Ų | 143 | 96.3 Ų | 96.3 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.7 | -47.7 | 168.8 | -174.8 | -173.3 | 73.3 | -164.8 | -5.5 | 110.9 | V295 E296 K301 A302 E303 | V295-R299 VanDerWaalsContact O-CB 3.28Å; V295-R299 WeakPolarHBondContact O-CB 3.39Å; V295-R299 PolarHBondContact O-N 3.02Å; E296-R299 PolarHBondContact O-N 3.34Å; R299-K301 PolarHBondContact O-N 3.47Å; R299-A302 PolarHBondContact O-N 2.89Å; R299-E303 HydrophobicContact CG-CG 4.39Å; R299-E303 IonicContact NE-OE1 3.02Å; R299-E303 WeakPolarHBondContact O-CB 3.49Å; R299-E303 WeakPolarHBondContact O-CG 3.35Å; R299-E303 PolarHBondContact O-N 3.34Å |
| 300 | A | 96.4 | Very high | 95.3 | Very high | 56 Ų | 56 | 99.3 Ų | 99.3 | 46% | 0.463 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | -180 | 0 | 0 | 0 | 0 | 0 | 112.1 | E296 E297 E303 A304 | E296-A300 WeakPolarHBondContact O-CB 3.32Å; E296-A300 PolarHBondContact O-N 2.81Å; E297-A300 PolarHBondContact O-N 3.48Å; A300-E303 PolarHBondContact O-N 2.94Å; A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.29Å |
| 301 | K | 95.9 | Very high | 95 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.3 | -49.3 | 173.2 | -68.9 | 167.8 | -160.6 | 152.5 | 0 | 111 | E297 D298 R299 A304 V305 | E297-K301 WeakPolarHBondContact O-CG 3.38Å; E297-K301 PolarHBondContact O-N 3.27Å; E297-K301 IonicContact OE2-NZ 3.03Å; D298-K301 PolarHBondContact O-N 2.92Å; D298-K301 IonicContact OD1-NZ 3.11Å; D298-K301 PolarHBondContact OD1-NZ 2.93Å; R299-K301 PolarHBondContact O-N 3.47Å; K301-A304 PolarHBondContact O-N 3.41Å; K301-V305 WeakPolarHBondContact O-CG2 3.49Å; K301-V305 PolarHBondContact O-N 2.94Å |
| 302 | A | 94.8 | Very high | 94.6 | Very high | 60 Ų | 60 | 99.1 Ų | 99.1 | 50% | 0.496 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.6 | -42.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D298 R299 V305 N306 | D298-A302 WeakPolarHBondContact O-CB 3.34Å; D298-A302 PolarHBondContact O-N 3.22Å; R299-A302 PolarHBondContact O-N 2.89Å; A302-V305 PolarHBondContact O-N 3.43Å; A302-N306 WeakPolarHBondContact O-CB 3.32Å; A302-N306 PolarHBondContact O-N 2.96Å |
| 303 | E | 95.6 | Very high | 94.1 | Very high | 89 Ų | 89 | 102 Ų | 102 | 42% | 0.416 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 174.6 | -79.7 | -176.5 | -161.9 | 0 | 0 | 112.3 | R299 A300 V305 N306 K307 | R299-E303 HydrophobicContact CG-CG 4.39Å; R299-E303 IonicContact NE-OE1 3.02Å; R299-E303 WeakPolarHBondContact O-CB 3.49Å; R299-E303 WeakPolarHBondContact O-CG 3.35Å; R299-E303 PolarHBondContact O-N 3.34Å; A300-E303 PolarHBondContact O-N 2.94Å; E303-V305 VanDerWaalsContact C-N 3.34Å; E303-V305 PolarHBondContact O-N 3.14Å; E303-N306 PolarHBondContact O-N 3.48Å; E303-K307 WeakPolarHBondContact O-CB 3.4Å; E303-K307 VanDerWaalsContact O-CG 3.32Å; E303-K307 WeakPolarHBondContact O-CG 3.37Å; E303-K307 PolarHBondContact O-N 2.84Å |
| 304 | A | 95.1 | Very high | 93.6 | Very high | 53 Ų | 53 | 100.3 Ų | 100.3 | 44% | 0.438 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -41.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A300 K301 R308 | A300-A304 WeakPolarHBondContact O-CB 3.4Å; A300-A304 PolarHBondContact O-N 3.29Å; K301-A304 PolarHBondContact O-N 3.41Å; A304-R308 WeakPolarHBondContact O-CB 3.38Å; A304-R308 PolarHBondContact O-N 3.34Å; A304-R308 VanDerWaalsContact O-N 3.12Å |
| 305 | V | 95.3 | Very high | 93 | Very high | 66 Ų | 66 | 103 Ų | 103 | 40% | 0.4 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.9 | -47.3 | 173.1 | 174 | 0 | 0 | 0 | 0 | 111 | K301 A302 E303 K307 R308 L309 | K301-V305 WeakPolarHBondContact O-CG2 3.49Å; K301-V305 PolarHBondContact O-N 2.94Å; A302-V305 PolarHBondContact O-N 3.43Å; E303-V305 VanDerWaalsContact C-N 3.34Å; E303-V305 PolarHBondContact O-N 3.14Å; V305-K307 PolarHBondContact O-N 3.35Å; V305-R308 WeakPolarHBondContact O-CB 3.41Å; V305-R308 PolarHBondContact O-N 2.91Å; V305-R308 VanDerWaalsContact O-N 3.13Å; V305-L309 HydrophobicContact CG1-CD1 3.95Å; V305-L309 HydrophobicContact CG1-CG 4.33Å; V305-L309 WeakPolarHBondContact O-CG 3.4Å; V305-L309 PolarHBondContact O-N 3.46Å |
| 306 | N | 94.3 | Very high | 92.2 | Very high | 77 Ų | 77 | 104.5 Ų | 104.5 | 41% | 0.412 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.1 | -44.9 | 179.7 | -164.9 | -37.5 | 0 | 0 | 0 | 111.6 | A302 E303 R308 L309 R310 | A302-N306 WeakPolarHBondContact O-CB 3.32Å; A302-N306 PolarHBondContact O-N 2.96Å; E303-N306 PolarHBondContact O-N 3.48Å; N306-R308 VanDerWaalsContact C-N 3.3Å; N306-R308 PolarHBondContact O-N 3.35Å; N306-L309 PolarHBondContact O-N 3.49Å; N306-R310 WeakPolarHBondContact O-CB 3.43Å; N306-R310 WeakPolarHBondContact O-CG 3.36Å; N306-R310 PolarHBondContact O-N 2.91Å; N306-R310 PolarHBondContact OD1-NE 3.13Å |
| 307 | K | 94.5 | Very high | 91.2 | Very high | 129 Ų | 129 | 109.7 Ų | 109.7 | 56% | 0.561 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -57.5 | -42.5 | 173.9 | -75.5 | 174.7 | -173.8 | 170.1 | 0 | 111.6 | E303 V305 R310 K311 | E303-K307 WeakPolarHBondContact O-CB 3.4Å; E303-K307 VanDerWaalsContact O-CG 3.32Å; E303-K307 WeakPolarHBondContact O-CG 3.37Å; E303-K307 PolarHBondContact O-N 2.84Å; V305-K307 PolarHBondContact O-N 3.35Å; K307-R310 PolarHBondContact O-N 3.37Å; K307-K311 WeakPolarHBondContact O-CG 3.48Å; K307-K311 PolarHBondContact O-N 3.49Å |
| 308 | R | 92.7 | Very high | 90 | Very high | 149 Ų | 149 | 108.2 Ų | 108.2 | 56% | 0.562 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -63.6 | -48.4 | 176.8 | -168.4 | -167.7 | -39.7 | 173.4 | 8.5 | 111.9 | A304 V305 N306 R310 K311 Q312 | A304-R308 WeakPolarHBondContact O-CB 3.38Å; A304-R308 PolarHBondContact O-N 3.34Å; A304-R308 VanDerWaalsContact O-N 3.12Å; V305-R308 WeakPolarHBondContact O-CB 3.41Å; V305-R308 PolarHBondContact O-N 2.91Å; V305-R308 VanDerWaalsContact O-N 3.13Å; N306-R308 VanDerWaalsContact C-N 3.3Å; N306-R308 PolarHBondContact O-N 3.35Å; R308-R310 VanDerWaalsContact C-N 3.34Å; R308-R310 PolarHBondContact O-N 3.3Å; R308-K311 WeakPolarHBondContact O-CB 3.4Å; R308-K311 PolarHBondContact O-N 3.02Å; R308-Q312 WeakPolarHBondContact O-CG 3.5Å; R308-Q312 PolarHBondContact O-N 2.85Å |
| 309 | L | 92 | Very high | 88.9 | Confident | 97 Ų | 97 | 108.6 Ų | 108.6 | 51% | 0.508 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 177.9 | -69.1 | 173.3 | 0 | 0 | 0 | 111.6 | V305 N306 Q312 L313 | V305-L309 HydrophobicContact CG1-CD1 3.95Å; V305-L309 HydrophobicContact CG1-CG 4.33Å; V305-L309 WeakPolarHBondContact O-CG 3.4Å; V305-L309 PolarHBondContact O-N 3.46Å; N306-L309 PolarHBondContact O-N 3.49Å; L309-Q312 PolarHBondContact O-N 3.27Å; L309-L313 WeakPolarHBondContact O-CB 3.21Å; L309-L313 PolarHBondContact O-N 3.28Å |
| 310 | R | 91.6 | Very high | 87.8 | Confident | 172 Ų | 172 | 109.2 Ų | 109.2 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.2 | -41.3 | 174.1 | -74.3 | -176.5 | -174.9 | -166.4 | -3.1 | 112.5 | N306 K307 R308 L313 A314 | N306-R310 WeakPolarHBondContact O-CB 3.43Å; N306-R310 WeakPolarHBondContact O-CG 3.36Å; N306-R310 PolarHBondContact O-N 2.91Å; N306-R310 PolarHBondContact OD1-NE 3.13Å; K307-R310 PolarHBondContact O-N 3.37Å; R308-R310 VanDerWaalsContact C-N 3.34Å; R308-R310 PolarHBondContact O-N 3.3Å; R310-L313 PolarHBondContact O-N 2.89Å; R310-A314 WeakPolarHBondContact O-CB 3.41Å; R310-A314 PolarHBondContact O-N 3.23Å |
| 311 | K | 89.8 | Confident | 86.9 | Confident | 137 Ų | 137 | 111.7 Ų | 111.7 | 60% | 0.596 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -60.5 | -49.2 | 173.2 | -75.1 | -177.1 | 179.6 | -171.4 | 0 | 110.9 | K307 R308 L313 A314 E315 | K307-K311 WeakPolarHBondContact O-CG 3.48Å; K307-K311 PolarHBondContact O-N 3.49Å; R308-K311 WeakPolarHBondContact O-CB 3.4Å; R308-K311 PolarHBondContact O-N 3.02Å; K311-L313 VanDerWaalsContact C-N 3.29Å; K311-L313 PolarHBondContact O-N 3.34Å; K311-A314 PolarHBondContact O-N 3Å; K311-A314 VanDerWaalsContact O-N 3.14Å; K311-E315 WeakPolarHBondContact O-CB 3.41Å; K311-E315 WeakPolarHBondContact O-CG 3.44Å; K311-E315 PolarHBondContact O-N 2.94Å |
| 312 | Q | 88.1 | Confident | 86.2 | Confident | 107 Ų | 107 | 111.8 Ų | 111.8 | 50% | 0.5 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.6 | -41.9 | 175.9 | -72.6 | 178.6 | -33 | 0 | 0 | 112 | R308 L309 F316 | R308-Q312 WeakPolarHBondContact O-CG 3.5Å; R308-Q312 PolarHBondContact O-N 2.85Å; L309-Q312 PolarHBondContact O-N 3.27Å; Q312-F316 WeakPolarHBondContact O-CB 3.44Å; Q312-F316 PolarHBondContact O-N 3.12Å |
| 313 | L | 86.5 | Confident | 85.3 | Confident | 129 Ų | 129 | 111.4 Ų | 111.4 | 68% | 0.675 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.9 | -37.5 | 177.3 | -169.8 | 71.4 | 0 | 0 | 0 | 112.6 | L309 R310 K311 F316 | L309-L313 WeakPolarHBondContact O-CB 3.21Å; L309-L313 PolarHBondContact O-N 3.28Å; R310-L313 PolarHBondContact O-N 2.89Å; K311-L313 VanDerWaalsContact C-N 3.29Å; K311-L313 PolarHBondContact O-N 3.34Å; L313-F316 PolarHBondContact O-N 2.9Å |
| 314 | A | 84.6 | Confident | 84.6 | Confident | 70 Ų | 70 | 113.6 Ų | 113.6 | 58% | 0.579 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -70.9 | -38.6 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | R310 K311 F316 R317 | R310-A314 WeakPolarHBondContact O-CB 3.41Å; R310-A314 PolarHBondContact O-N 3.23Å; K311-A314 PolarHBondContact O-N 3Å; K311-A314 VanDerWaalsContact O-N 3.14Å; A314-F316 VanDerWaalsContact C-N 3.33Å; A314-R317 PolarHBondContact O-NH1 2.84Å |
| 315 | E | 83.8 | Confident | 84.1 | Confident | 148 Ų | 148 | 114 Ų | 114 | 69% | 0.692 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.6 | -26.1 | 174.6 | -71.7 | 168.2 | -164.8 | 0 | 0 | 112 | K311 R317 | K311-E315 WeakPolarHBondContact O-CB 3.41Å; K311-E315 WeakPolarHBondContact O-CG 3.44Å; K311-E315 PolarHBondContact O-N 2.94Å; E315-R317 PolarHBondContact O-N 3.16Å; E315-R317 VanDerWaalsContact O-N 3.16Å |
| 316 | F | 80.4 | Confident | 83.5 | Confident | 129 Ų | 129 | 117.6 Ų | 117.6 | 57% | 0.566 | 57% | 0.567 | S | S | * | * | trans | -63.7 | 117.6 | 177.2 | -176 | -101.9 | 0 | 0 | 0 | 110.6 | Q312 L313 A314 A318 | Q312-F316 WeakPolarHBondContact O-CB 3.44Å; Q312-F316 PolarHBondContact O-N 3.12Å; L313-F316 PolarHBondContact O-N 2.9Å; A314-F316 VanDerWaalsContact C-N 3.33Å; F316-A318 HydrophobicContact CE1-CB 4.06Å | ||
| 317 | R | 76 | Confident | 82.9 | Confident | 201 Ų | 201 | 119.5 Ų | 119.5 | 76% | 0.758 | 57% | 0.573 | S | S | * | * | trans | -113 | 113.3 | 168.1 | -73.8 | -70.8 | -172.2 | -94.5 | 1.9 | 107.5 | A314 E315 P319 | A314-R317 PolarHBondContact O-NH1 2.84Å; E315-R317 PolarHBondContact O-N 3.16Å; E315-R317 VanDerWaalsContact O-N 3.16Å; R317-P319 WeakPolarHBondContact O-CD 3.29Å | ||
| 318 | A | 71.6 | Confident | 82.5 | Confident | 76 Ų | 76 | 119 Ų | 119 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 125.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | F316 Q320 | F316-A318 HydrophobicContact CE1-CB 4.06Å; A318-Q320 PolarHBondContact O-N 2.89Å |
| 319 | P | 71.5 | Confident | 82.1 | Confident | 80 Ų | 80 | 116.4 Ų | 116.4 | 52% | 0.519 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -56.3 | 141.4 | 174.8 | -23.4 | 32.7 | 0 | 0 | 0 | 110.1 | R317 V321 | R317-P319 WeakPolarHBondContact O-CD 3.29Å; P319-V321 PolarHBondContact O-N 3.01Å |
| 320 | Q | 73.9 | Confident | 81.9 | Confident | 157 Ų | 157 | 116.4 Ų | 116.4 | 73% | 0.734 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 136 | 176.5 | -164.3 | 164.1 | 16.6 | 0 | 0 | 109.6 | A318 M322 T323 Y324 | A318-Q320 PolarHBondContact O-N 2.89Å; Q320-M322 PolarHBondContact O-N 3.48Å; Q320-T323 WeakPolarHBondContact O-CA 3.34Å; Q320-T323 WeakPolarHBondContact O-CB 3.38Å; Q320-T323 PolarHBondContact O-N 3.29Å; Q320-Y324 PolarHBondContact O-N 3.44Å; Q320-Y324 VanDerWaalsContact O-N 3.1Å |
| 321 | V | 78 | Confident | 81.7 | Confident | 108 Ų | 108 | 111.6 Ų | 111.6 | 66% | 0.655 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -47.8 | -42.6 | -168.7 | 178.5 | 0 | 0 | 0 | 0 | 112.3 | P319 T323 Y324 V325 | P319-V321 PolarHBondContact O-N 3.01Å; V321-T323 PolarHBondContact O-N 3.36Å; V321-Y324 PolarHBondContact O-N 3.1Å; V321-V325 HydrophobicContact CG1-CG2 4.33Å; V321-V325 VanDerWaalsContact O-CG2 3.29Å; V321-V325 WeakPolarHBondContact O-CG2 3.42Å; V321-V325 PolarHBondContact O-N 2.76Å |
| 322 | M | 79.5 | Confident | 81.5 | Confident | 114 Ų | 114 | 106 Ų | 106 | 56% | 0.562 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -66.7 | -33.3 | 178.8 | -66.3 | -54.2 | -63.5 | 0 | 0 | 113.7 | Q320 R326 | Q320-M322 PolarHBondContact O-N 3.48Å; M322-R326 WeakPolarHBondContact O-CB 3.24Å; M322-R326 VanDerWaalsContact O-CG 3.3Å; M322-R326 WeakPolarHBondContact O-CG 3.3Å; M322-R326 PolarHBondContact O-N 3.42Å; M322-R326 PolarHBondContact O-NE 3.38Å |
| 323 | T | 77.3 | Confident | 81.5 | Confident | 51 Ų | 51 | 104.4 Ų | 104.4 | 31% | 0.313 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.8 | -42.8 | 173.9 | -52.9 | 0 | 0 | 0 | 0 | 110.5 | Q320 V321 V325 R326 E327 | Q320-T323 WeakPolarHBondContact O-CA 3.34Å; Q320-T323 WeakPolarHBondContact O-CB 3.38Å; Q320-T323 PolarHBondContact O-N 3.29Å; V321-T323 PolarHBondContact O-N 3.36Å; T323-V325 PolarHBondContact O-N 3.31Å; T323-R326 PolarHBondContact O-N 3.17Å; T323-R326 PolarHBondContact OG1-NH2 2.93Å; T323-R326 VanDerWaalsContact OG1-NH2 3.17Å; T323-E327 WeakPolarHBondContact O-CB 3.42Å; T323-E327 WeakPolarHBondContact O-CG 3.33Å; T323-E327 PolarHBondContact O-N 3.35Å |
| 324 | Y | 80.4 | Confident | 81.5 | Confident | 136 Ų | 136 | 102.6 Ų | 102.6 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.5 | -43.4 | 173.5 | 178.7 | -97.6 | 0 | 0 | 0 | 112.4 | Q320 V321 E327 K328 | Q320-Y324 PolarHBondContact O-N 3.44Å; Q320-Y324 VanDerWaalsContact O-N 3.1Å; V321-Y324 PolarHBondContact O-N 3.1Å; Y324-E327 PolarHBondContact O-N 2.98Å; Y324-K328 VanDerWaalsContact O-CB 3.24Å; Y324-K328 WeakPolarHBondContact O-CB 3.46Å; Y324-K328 PolarHBondContact O-N 2.89Å |
| 325 | V | 83.3 | Confident | 81.6 | Confident | 60 Ų | 60 | 104 Ų | 104 | 36% | 0.364 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.6 | 170.9 | 0 | 0 | 0 | 0 | 111.1 | V321 T323 K328 I329 | V321-V325 HydrophobicContact CG1-CG2 4.33Å; V321-V325 VanDerWaalsContact O-CG2 3.29Å; V321-V325 WeakPolarHBondContact O-CG2 3.42Å; V321-V325 PolarHBondContact O-N 2.76Å; T323-V325 PolarHBondContact O-N 3.31Å; V325-K328 PolarHBondContact O-N 3.48Å; V325-I329 HydrophobicContact CG1-CD1 3.77Å; V325-I329 HydrophobicContact CG1-CG1 4.41Å; V325-I329 WeakPolarHBondContact O-CB 3.24Å; V325-I329 VanDerWaalsContact O-CG1 3.24Å; V325-I329 WeakPolarHBondContact O-CG1 3.49Å; V325-I329 PolarHBondContact O-N 2.81Å |
| 326 | R | 82.9 | Confident | 81.8 | Confident | 142 Ų | 142 | 103.3 Ų | 103.3 | 54% | 0.536 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 175.1 | -78.1 | -176.5 | -67.6 | -116.5 | 0.3 | 111.9 | M322 T323 K328 I329 L330 | M322-R326 WeakPolarHBondContact O-CB 3.24Å; M322-R326 VanDerWaalsContact O-CG 3.3Å; M322-R326 WeakPolarHBondContact O-CG 3.3Å; M322-R326 PolarHBondContact O-N 3.42Å; M322-R326 PolarHBondContact O-NE 3.38Å; T323-R326 PolarHBondContact O-N 3.17Å; T323-R326 PolarHBondContact OG1-NH2 2.93Å; T323-R326 VanDerWaalsContact OG1-NH2 3.17Å; R326-K328 VanDerWaalsContact C-N 3.29Å; R326-K328 PolarHBondContact O-N 2.86Å; R326-I329 PolarHBondContact O-N 3.33Å; R326-L330 VanDerWaalsContact O-CB 3.31Å; R326-L330 WeakPolarHBondContact O-CB 3.26Å; R326-L330 PolarHBondContact O-N 3.4Å |
| 327 | E | 82.8 | Confident | 82 | Confident | 117 Ų | 117 | 99.5 Ų | 99.5 | 55% | 0.547 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -35.6 | 176.8 | -70.5 | -63.1 | 154.4 | 0 | 0 | 111.8 | T323 Y324 L330 N331 | T323-E327 WeakPolarHBondContact O-CB 3.42Å; T323-E327 WeakPolarHBondContact O-CG 3.33Å; T323-E327 PolarHBondContact O-N 3.35Å; Y324-E327 PolarHBondContact O-N 2.98Å; E327-L330 PolarHBondContact O-N 2.8Å; E327-N331 VanDerWaalsContact O-CB 3.26Å; E327-N331 WeakPolarHBondContact O-CB 3.44Å; E327-N331 PolarHBondContact O-N 2.93Å |
| 328 | K | 86.2 | Confident | 82.5 | Confident | 118 Ų | 118 | 94.5 Ų | 94.5 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.2 | -39.4 | 177.5 | -170.2 | 66 | 179.4 | 177.2 | 0 | 112.5 | Y324 V325 R326 G332 | Y324-K328 VanDerWaalsContact O-CB 3.24Å; Y324-K328 WeakPolarHBondContact O-CB 3.46Å; Y324-K328 PolarHBondContact O-N 2.89Å; V325-K328 PolarHBondContact O-N 3.48Å; R326-K328 VanDerWaalsContact C-N 3.29Å; R326-K328 PolarHBondContact O-N 2.86Å; K328-G332 PolarHBondContact O-N 3.46Å |
| 329 | I | 84.3 | Confident | 83.3 | Confident | 96 Ų | 96 | 97.7 Ų | 97.7 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -47.7 | 172.1 | -68.9 | 165.6 | 0 | 0 | 0 | 109.2 | V325 R326 N331 G332 D333 | V325-I329 HydrophobicContact CG1-CD1 3.77Å; V325-I329 HydrophobicContact CG1-CG1 4.41Å; V325-I329 WeakPolarHBondContact O-CB 3.24Å; V325-I329 VanDerWaalsContact O-CG1 3.24Å; V325-I329 WeakPolarHBondContact O-CG1 3.49Å; V325-I329 PolarHBondContact O-N 2.81Å; R326-I329 PolarHBondContact O-N 3.33Å; I329-N331 VanDerWaalsContact C-N 3.35Å; I329-N331 PolarHBondContact O-N 3.45Å; I329-G332 CarbonylContact O-C 3.58Å; I329-G332 WeakPolarHBondContact O-CA 3.29Å; I329-G332 PolarHBondContact O-N 2.92Å; I329-G332 VanDerWaalsContact O-N 3.08Å; I329-D333 PolarHBondContact O-N 2.79Å |
| 330 | L | 87.4 | Confident | 84 | Confident | 96 Ų | 96 | 99 Ų | 99 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 178.7 | -166.5 | 127.6 | 0 | 0 | 0 | 111.5 | R326 E327 G332 D333 L334 | R326-L330 VanDerWaalsContact O-CB 3.31Å; R326-L330 WeakPolarHBondContact O-CB 3.26Å; R326-L330 PolarHBondContact O-N 3.4Å; E327-L330 PolarHBondContact O-N 2.8Å; L330-G332 VanDerWaalsContact C-N 3.34Å; L330-G332 PolarHBondContact O-N 3.43Å; L330-D333 PolarHBondContact O-N 2.83Å; L330-L334 HydrophobicContact CD2-CD1 3.77Å; L330-L334 HydrophobicContact CD2-CG 4.44Å; L330-L334 WeakPolarHBondContact O-CB 3.31Å; L330-L334 VanDerWaalsContact O-CG 3.29Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.02Å |
| 331 | N | 87 | Confident | 84.6 | Confident | 72 Ų | 72 | 99.2 Ų | 99.2 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 173.8 | -167 | 65.4 | 0 | 0 | 0 | 111.9 | E327 I329 L334 E335 | E327-N331 VanDerWaalsContact O-CB 3.26Å; E327-N331 WeakPolarHBondContact O-CB 3.44Å; E327-N331 PolarHBondContact O-N 2.93Å; I329-N331 VanDerWaalsContact C-N 3.35Å; I329-N331 PolarHBondContact O-N 3.45Å; N331-L334 PolarHBondContact O-N 3.08Å; N331-E335 PolarHBondContact ND2-OE1 3.37Å; N331-E335 WeakPolarHBondContact O-CB 3.44Å; N331-E335 WeakPolarHBondContact O-CG 3.47Å; N331-E335 PolarHBondContact O-N 2.84Å |
| 332 | G | 86.9 | Confident | 85 | Confident | 20 Ų | 20 | 99.7 Ų | 99.7 | 21% | 0.206 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -65.6 | -36.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | K328 I329 L330 E335 K336 | K328-G332 PolarHBondContact O-N 3.46Å; I329-G332 CarbonylContact O-C 3.58Å; I329-G332 WeakPolarHBondContact O-CA 3.29Å; I329-G332 PolarHBondContact O-N 2.92Å; I329-G332 VanDerWaalsContact O-N 3.08Å; L330-G332 VanDerWaalsContact C-N 3.34Å; L330-G332 PolarHBondContact O-N 3.43Å; G332-E335 PolarHBondContact O-N 3Å; G332-K336 VanDerWaalsContact O-CG 3.29Å; G332-K336 WeakPolarHBondContact O-CG 3.46Å; G332-K336 PolarHBondContact O-N 3.27Å |
| 333 | D | 86.6 | Confident | 85.3 | Confident | 73 Ų | 73 | 102.8 Ų | 102.8 | 39% | 0.39 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -74.9 | -33.1 | 176.8 | -70.4 | -20.6 | 0 | 0 | 0 | 111.9 | I329 L330 K336 S337 | I329-D333 PolarHBondContact O-N 2.79Å; L330-D333 PolarHBondContact O-N 2.83Å; D333-K336 PolarHBondContact O-N 2.98Å; D333-K336 IonicContact OD1-NZ 3.83Å; D333-K336 PolarHBondContact OD1-NZ 3.49Å; D333-S337 VanDerWaalsContact O-CB 3.3Å; D333-S337 WeakPolarHBondContact O-CB 3.29Å; D333-S337 PolarHBondContact O-N 3.48Å; D333-S337 PolarHBondContact O-OG 2.78Å |
| 334 | L | 87.1 | Confident | 85.7 | Confident | 91 Ų | 91 | 105.2 Ų | 105.2 | 48% | 0.476 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.1 | -45.1 | 167.6 | -72.9 | 173.5 | 0 | 0 | 0 | 111.1 | L330 N331 K336 S337 I338 | L330-L334 HydrophobicContact CD2-CD1 3.77Å; L330-L334 HydrophobicContact CD2-CG 4.44Å; L330-L334 WeakPolarHBondContact O-CB 3.31Å; L330-L334 VanDerWaalsContact O-CG 3.29Å; L330-L334 WeakPolarHBondContact O-CG 3.33Å; L330-L334 PolarHBondContact O-N 3.02Å; N331-L334 PolarHBondContact O-N 3.08Å; L334-K336 VanDerWaalsContact C-N 3.34Å; L334-K336 PolarHBondContact O-N 2.83Å; L334-S337 CarbonylContact O-C 3.59Å; L334-S337 WeakPolarHBondContact O-CB 3.48Å; L334-S337 PolarHBondContact O-N 3.47Å; L334-S337 VanDerWaalsContact O-N 3.13Å; L334-I338 WeakPolarHBondContact O-CB 3.41Å; L334-I338 VanDerWaalsContact O-CG1 3.28Å; L334-I338 WeakPolarHBondContact O-CG1 3.4Å; L334-I338 PolarHBondContact O-N 2.85Å |
| 335 | E | 86.7 | Confident | 86 | Confident | 99 Ų | 99 | 102.3 Ų | 102.3 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.5 | -42.1 | 174.2 | -78.8 | 172.6 | -163.9 | 0 | 0 | 111.9 | N331 G332 I338 K339 | N331-E335 PolarHBondContact ND2-OE1 3.37Å; N331-E335 WeakPolarHBondContact O-CB 3.44Å; N331-E335 WeakPolarHBondContact O-CG 3.47Å; N331-E335 PolarHBondContact O-N 2.84Å; G332-E335 PolarHBondContact O-N 3Å; E335-I338 PolarHBondContact O-N 3.43Å; E335-K339 WeakPolarHBondContact O-CG 3.3Å; E335-K339 PolarHBondContact O-N 2.77Å |
| 336 | K | 87.4 | Confident | 86 | Confident | 133 Ų | 133 | 105.1 Ų | 105.1 | 58% | 0.578 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65 | -40 | 173.2 | -72.2 | 169.7 | -164.1 | 158.7 | 0 | 112 | G332 D333 L334 K339 M340 | G332-K336 VanDerWaalsContact O-CG 3.29Å; G332-K336 WeakPolarHBondContact O-CG 3.46Å; G332-K336 PolarHBondContact O-N 3.27Å; D333-K336 PolarHBondContact O-N 2.98Å; D333-K336 IonicContact OD1-NZ 3.83Å; D333-K336 PolarHBondContact OD1-NZ 3.49Å; L334-K336 VanDerWaalsContact C-N 3.34Å; L334-K336 PolarHBondContact O-N 2.83Å; K336-K339 PolarHBondContact O-N 3.13Å; K336-M340 WeakPolarHBondContact O-CB 3.28Å; K336-M340 PolarHBondContact O-N 3.43Å |
| 337 | S | 84.9 | Confident | 86 | Confident | 50 Ų | 50 | 103.7 Ų | 103.7 | 35% | 0.35 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.2 | -43.2 | 177.2 | -64 | 0 | 0 | 0 | 0 | 110.8 | D333 L334 M340 W341 | D333-S337 VanDerWaalsContact O-CB 3.3Å; D333-S337 WeakPolarHBondContact O-CB 3.29Å; D333-S337 PolarHBondContact O-N 3.48Å; D333-S337 PolarHBondContact O-OG 2.78Å; L334-S337 CarbonylContact O-C 3.59Å; L334-S337 WeakPolarHBondContact O-CB 3.48Å; L334-S337 PolarHBondContact O-N 3.47Å; L334-S337 VanDerWaalsContact O-N 3.13Å; S337-M340 PolarHBondContact O-N 3.15Å; S337-W341 WeakPolarHBondContact O-CB 3.32Å; S337-W341 PolarHBondContact O-N 3.32Å |
| 338 | I | 87.1 | Confident | 85.9 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 49% | 0.492 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -56.2 | -52.2 | 172.5 | -71.1 | 166.7 | 0 | 0 | 0 | 109.4 | L334 E335 M340 W341 E342 | L334-I338 WeakPolarHBondContact O-CB 3.41Å; L334-I338 VanDerWaalsContact O-CG1 3.28Å; L334-I338 WeakPolarHBondContact O-CG1 3.4Å; L334-I338 PolarHBondContact O-N 2.85Å; E335-I338 PolarHBondContact O-N 3.43Å; I338-M340 VanDerWaalsContact C-N 3.31Å; I338-M340 PolarHBondContact O-N 2.87Å; I338-W341 PolarHBondContact O-N 3.01Å; I338-W341 VanDerWaalsContact O-N 3.15Å; I338-E342 HydrophobicContact CG2-CG 4.36Å; I338-E342 WeakPolarHBondContact O-CB 3.46Å; I338-E342 WeakPolarHBondContact O-CG 3.32Å; I338-E342 PolarHBondContact O-N 2.81Å |
| 339 | K | 87.6 | Confident | 85.6 | Confident | 143 Ų | 143 | 100.9 Ų | 100.9 | 62% | 0.622 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -36.8 | 176.9 | -74.1 | 179.7 | 179.9 | 176.9 | 0 | 113.6 | E335 K336 R343 | E335-K339 WeakPolarHBondContact O-CG 3.3Å; E335-K339 PolarHBondContact O-N 2.77Å; K336-K339 PolarHBondContact O-N 3.13Å; K339-R343 WeakPolarHBondContact O-CB 3.4Å; K339-R343 PolarHBondContact O-N 2.84Å |
| 340 | M | 86.2 | Confident | 85.5 | Confident | 106 Ų | 106 | 102.8 Ų | 102.8 | 52% | 0.522 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.2 | -42.9 | 176 | -172.1 | -165.6 | -60.8 | 0 | 0 | 111 | K336 S337 I338 R343 K344 | K336-M340 WeakPolarHBondContact O-CB 3.28Å; K336-M340 PolarHBondContact O-N 3.43Å; S337-M340 PolarHBondContact O-N 3.15Å; I338-M340 VanDerWaalsContact C-N 3.31Å; I338-M340 PolarHBondContact O-N 2.87Å; M340-R343 PolarHBondContact O-N 3.31Å; M340-K344 WeakPolarHBondContact O-CG 3.44Å; M340-K344 PolarHBondContact O-N 3.2Å |
| 341 | W | 86.6 | Confident | 85.1 | Confident | 162 Ų | 162 | 100.9 Ų | 100.9 | 61% | 0.614 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.2 | -42.9 | 176.2 | -79.9 | 113 | 0 | 0 | 0 | 111.5 | S337 I338 R343 K344 V345 | S337-W341 WeakPolarHBondContact O-CB 3.32Å; S337-W341 PolarHBondContact O-N 3.32Å; I338-W341 PolarHBondContact O-N 3.01Å; I338-W341 VanDerWaalsContact O-N 3.15Å; W341-R343 VanDerWaalsContact C-N 3.27Å; W341-R343 PolarHBondContact O-N 3.01Å; W341-K344 HydrophobicContact CE3-CD 4.09Å; W341-K344 HydrophobicContact CZ3-CD 4.24Å; W341-K344 PolarHBondContact O-N 2.93Å; W341-V345 VanDerWaalsContact O-CG2 3.31Å; W341-V345 WeakPolarHBondContact O-CG2 3.49Å; W341-V345 PolarHBondContact O-N 2.85Å |
| 342 | E | 86.1 | Confident | 84.8 | Confident | 119 Ų | 119 | 101.8 Ų | 101.8 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -53.5 | -46 | 170.7 | -73.6 | 171.8 | 165.8 | 0 | 0 | 110.8 | I338 V345 E346 | I338-E342 HydrophobicContact CG2-CG 4.36Å; I338-E342 WeakPolarHBondContact O-CB 3.46Å; I338-E342 WeakPolarHBondContact O-CG 3.32Å; I338-E342 PolarHBondContact O-N 2.81Å; E342-V345 WeakPolarHBondContact O-CB 3.2Å; E342-V345 PolarHBondContact O-N 3.35Å; E342-E346 PolarHBondContact O-N 3.38Å |
| 343 | R | 85.4 | Confident | 84.6 | Confident | 178 Ų | 178 | 107.3 Ų | 107.3 | 67% | 0.672 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.6 | -34.9 | 178.4 | -160 | 167.2 | -172.5 | 138.1 | 0.2 | 113.7 | K339 M340 W341 E346 I347 | K339-R343 WeakPolarHBondContact O-CB 3.4Å; K339-R343 PolarHBondContact O-N 2.84Å; M340-R343 PolarHBondContact O-N 3.31Å; W341-R343 VanDerWaalsContact C-N 3.27Å; W341-R343 PolarHBondContact O-N 3.01Å; R343-E346 PolarHBondContact O-N 3.41Å; R343-I347 VanDerWaalsContact O-CG1 3.32Å; R343-I347 WeakPolarHBondContact O-CG1 3.5Å; R343-I347 PolarHBondContact O-N 3.17Å |
| 344 | K | 86.4 | Confident | 84.2 | Confident | 102 Ų | 102 | 105.5 Ų | 105.5 | 44% | 0.443 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 172.6 | -77.8 | 179.4 | 179.9 | 177.5 | 0 | 111.3 | M340 W341 E346 I347 A348 | M340-K344 WeakPolarHBondContact O-CG 3.44Å; M340-K344 PolarHBondContact O-N 3.2Å; W341-K344 HydrophobicContact CE3-CD 4.09Å; W341-K344 HydrophobicContact CZ3-CD 4.24Å; W341-K344 PolarHBondContact O-N 2.93Å; K344-E346 VanDerWaalsContact C-N 3.33Å; K344-I347 PolarHBondContact O-N 2.85Å; K344-A348 WeakPolarHBondContact O-CB 3.31Å; K344-A348 PolarHBondContact O-N 3.33Å |
| 345 | V | 86.3 | Confident | 83.9 | Confident | 75 Ų | 75 | 109.4 Ų | 109.4 | 46% | 0.455 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 173.5 | 170.2 | 0 | 0 | 0 | 0 | 109.6 | W341 E342 I347 A348 E349 | W341-V345 VanDerWaalsContact O-CG2 3.31Å; W341-V345 WeakPolarHBondContact O-CG2 3.49Å; W341-V345 PolarHBondContact O-N 2.85Å; E342-V345 WeakPolarHBondContact O-CB 3.2Å; E342-V345 PolarHBondContact O-N 3.35Å; V345-I347 PolarHBondContact O-N 2.96Å; V345-A348 CarbonylContact O-C 3.54Å; V345-A348 WeakPolarHBondContact O-CB 3.38Å; V345-A348 PolarHBondContact O-N 3.41Å; V345-A348 VanDerWaalsContact O-N 3.15Å; V345-E349 HydrophobicContact CG1-CG 4.35Å; V345-E349 WeakPolarHBondContact O-CB 3.31Å; V345-E349 WeakPolarHBondContact O-CG 3.38Å; V345-E349 PolarHBondContact O-N 2.91Å |
| 346 | E | 84.7 | Confident | 83.6 | Confident | 120 Ų | 120 | 112.7 Ų | 112.7 | 56% | 0.561 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 177.8 | -162.8 | 178.4 | -159.3 | 0 | 0 | 112.8 | E342 R343 K344 E349 M350 | E342-E346 PolarHBondContact O-N 3.38Å; R343-E346 PolarHBondContact O-N 3.41Å; K344-E346 VanDerWaalsContact C-N 3.33Å; E346-E349 PolarHBondContact O-N 2.86Å; E346-M350 VanDerWaalsContact O-CB 3.31Å; E346-M350 WeakPolarHBondContact O-CB 3.36Å; E346-M350 WeakPolarHBondContact O-CG 3.39Å; E346-M350 PolarHBondContact O-N 3.15Å |
| 347 | I | 82.9 | Confident | 83.2 | Confident | 111 Ų | 111 | 112.1 Ų | 112.1 | 57% | 0.569 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 173.9 | -66.7 | 165.8 | 0 | 0 | 0 | 111.3 | R343 K344 V345 E349 M350 S351 | R343-I347 VanDerWaalsContact O-CG1 3.32Å; R343-I347 WeakPolarHBondContact O-CG1 3.5Å; R343-I347 PolarHBondContact O-N 3.17Å; K344-I347 PolarHBondContact O-N 2.85Å; V345-I347 PolarHBondContact O-N 2.96Å; I347-E349 VanDerWaalsContact C-N 3.35Å; I347-M350 PolarHBondContact O-N 2.81Å; I347-S351 WeakPolarHBondContact O-CB 3.39Å; I347-S351 PolarHBondContact O-N 3.4Å; I347-S351 PolarHBondContact O-OG 3.39Å |
| 348 | A | 79.2 | Confident | 82.8 | Confident | 56 Ų | 56 | 111.7 Ų | 111.7 | 46% | 0.463 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -41.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | K344 V345 S351 L352 | K344-A348 WeakPolarHBondContact O-CB 3.31Å; K344-A348 PolarHBondContact O-N 3.33Å; V345-A348 CarbonylContact O-C 3.54Å; V345-A348 WeakPolarHBondContact O-CB 3.38Å; V345-A348 PolarHBondContact O-N 3.41Å; V345-A348 VanDerWaalsContact O-N 3.15Å; A348-S351 WeakPolarHBondContact CA-OG 3.48Å; A348-S351 PolarHBondContact O-N 3.5Å; A348-S351 PolarHBondContact O-OG 3.42Å; A348-L352 VanDerWaalsContact O-CB 3.28Å; A348-L352 WeakPolarHBondContact O-CB 3.33Å; A348-L352 PolarHBondContact O-N 2.88Å |
| 349 | E | 81.8 | Confident | 82.4 | Confident | 121 Ų | 121 | 115.7 Ų | 115.7 | 57% | 0.565 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -65.5 | -43.1 | 174.2 | -73.2 | -179.8 | 168.2 | 0 | 0 | 112.2 | V345 E346 I347 L352 K353 | V345-E349 HydrophobicContact CG1-CG 4.35Å; V345-E349 WeakPolarHBondContact O-CB 3.31Å; V345-E349 WeakPolarHBondContact O-CG 3.38Å; V345-E349 PolarHBondContact O-N 2.91Å; E346-E349 PolarHBondContact O-N 2.86Å; I347-E349 VanDerWaalsContact C-N 3.35Å; E349-L352 PolarHBondContact O-N 2.81Å; E349-K353 WeakPolarHBondContact O-CB 3.28Å; E349-K353 PolarHBondContact O-N 2.88Å |
| 350 | M | 80.7 | Confident | 81.8 | Confident | 136 Ų | 136 | 113.1 Ų | 113.1 | 67% | 0.67 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.4 | -43.7 | 175.7 | -78.7 | -100 | -76.4 | 0 | 0 | 112.3 | E346 I347 K353 G354 | E346-M350 VanDerWaalsContact O-CB 3.31Å; E346-M350 WeakPolarHBondContact O-CB 3.36Å; E346-M350 WeakPolarHBondContact O-CG 3.39Å; E346-M350 PolarHBondContact O-N 3.15Å; I347-M350 PolarHBondContact O-N 2.81Å; M350-K353 WeakPolarHBondContact O-CB 3.49Å; M350-K353 PolarHBondContact O-N 3.07Å; M350-G354 PolarHBondContact O-N 3.38Å |
| 351 | S | 78.9 | Confident | 81.3 | Confident | 55 Ų | 55 | 115.4 Ų | 115.4 | 39% | 0.385 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | 176 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | I347 A348 K353 G354 Y355 | I347-S351 WeakPolarHBondContact O-CB 3.39Å; I347-S351 PolarHBondContact O-N 3.4Å; I347-S351 PolarHBondContact O-OG 3.39Å; A348-S351 WeakPolarHBondContact CA-OG 3.48Å; A348-S351 PolarHBondContact O-N 3.5Å; A348-S351 PolarHBondContact O-OG 3.42Å; S351-K353 VanDerWaalsContact C-N 3.28Å; S351-K353 PolarHBondContact O-N 2.87Å; S351-G354 CarbonylContact O-C 3.47Å; S351-G354 WeakPolarHBondContact O-CA 3.12Å; S351-G354 PolarHBondContact O-N 3.32Å; S351-Y355 WeakPolarHBondContact O-CD2 3.44Å; S351-Y355 PolarHBondContact O-N 2.86Å |
| 352 | L | 82.1 | Confident | 80.7 | Confident | 92 Ų | 92 | 114 Ų | 114 | 48% | 0.482 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -58.2 | -41.2 | 170.9 | -170.5 | 82 | 0 | 0 | 0 | 111.3 | A348 E349 G354 Y355 R356 | A348-L352 VanDerWaalsContact O-CB 3.28Å; A348-L352 WeakPolarHBondContact O-CB 3.33Å; A348-L352 PolarHBondContact O-N 2.88Å; E349-L352 PolarHBondContact O-N 2.81Å; L352-G354 VanDerWaalsContact C-N 3.34Å; L352-Y355 PolarHBondContact O-N 3.48Å; L352-R356 WeakPolarHBondContact O-CG 3.42Å; L352-R356 PolarHBondContact O-N 2.86Å |
| 353 | K | 82.9 | Confident | 80.1 | Confident | 135 Ų | 135 | 113.4 Ų | 113.4 | 59% | 0.587 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.5 | -37.6 | 174.6 | -165.7 | 175.2 | -173.6 | 174.6 | 0 | 111.5 | E349 M350 S351 K357 | E349-K353 WeakPolarHBondContact O-CB 3.28Å; E349-K353 PolarHBondContact O-N 2.88Å; M350-K353 WeakPolarHBondContact O-CB 3.49Å; M350-K353 PolarHBondContact O-N 3.07Å; S351-K353 VanDerWaalsContact C-N 3.28Å; S351-K353 PolarHBondContact O-N 2.87Å; K353-K357 WeakPolarHBondContact O-CG 3.23Å; K353-K357 PolarHBondContact O-N 2.96Å |
| 354 | G | 77.5 | Confident | 79.4 | Confident | 36 Ų | 36 | 109.1 Ų | 109.1 | 37% | 0.371 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | M350 S351 L352 R356 K357 A358 | M350-G354 PolarHBondContact O-N 3.38Å; S351-G354 CarbonylContact O-C 3.47Å; S351-G354 WeakPolarHBondContact O-CA 3.12Å; S351-G354 PolarHBondContact O-N 3.32Å; L352-G354 VanDerWaalsContact C-N 3.34Å; G354-R356 PolarHBondContact O-N 3.4Å; G354-K357 PolarHBondContact O-N 2.89Å; G354-K357 VanDerWaalsContact O-N 3.17Å; G354-A358 PolarHBondContact O-N 3.17Å |
| 355 | Y | 81.2 | Confident | 78.7 | Confident | 173 Ų | 173 | 107.6 Ų | 107.6 | 68% | 0.678 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -60.8 | -42.2 | 175.1 | -70.8 | -56.7 | 0 | 0 | 0 | 111.9 | S351 L352 K357 A358 W359 | S351-Y355 WeakPolarHBondContact O-CD2 3.44Å; S351-Y355 PolarHBondContact O-N 2.86Å; L352-Y355 PolarHBondContact O-N 3.48Å; Y355-K357 VanDerWaalsContact C-N 3.34Å; Y355-K357 PolarHBondContact O-N 3.42Å; Y355-A358 PolarHBondContact O-N 2.99Å; Y355-W359 VanDerWaalsContact O-CB 3.23Å; Y355-W359 WeakPolarHBondContact O-CB 3.38Å; Y355-W359 PolarHBondContact O-N 3.44Å |
| 356 | R | 79.3 | Confident | 77.7 | Confident | 167 Ų | 167 | 108.8 Ų | 108.8 | 63% | 0.63 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -61.3 | -40.1 | 173.3 | -77.6 | -173 | -164.7 | -167.6 | 5.6 | 112.5 | L352 G354 N360 | L352-R356 WeakPolarHBondContact O-CG 3.42Å; L352-R356 PolarHBondContact O-N 2.86Å; G354-R356 PolarHBondContact O-N 3.4Å; R356-N360 VanDerWaalsContact O-CB 3.31Å; R356-N360 WeakPolarHBondContact O-CB 3.45Å; R356-N360 VanDerWaalsContact O-CG 3.32Å; R356-N360 PolarHBondContact O-N 2.81Å |
| 357 | K | 78.9 | Confident | 77 | Confident | 121 Ų | 121 | 107.6 Ų | 107.6 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -41.5 | 176.2 | -75.7 | -176.9 | -178.6 | -174.5 | 0 | 112.2 | K353 G354 Y355 R361 | K353-K357 WeakPolarHBondContact O-CG 3.23Å; K353-K357 PolarHBondContact O-N 2.96Å; G354-K357 PolarHBondContact O-N 2.89Å; G354-K357 VanDerWaalsContact O-N 3.17Å; Y355-K357 VanDerWaalsContact C-N 3.34Å; Y355-K357 PolarHBondContact O-N 3.42Å; K357-R361 WeakPolarHBondContact O-CG 3.47Å; K357-R361 PolarHBondContact O-N 2.86Å |
| 358 | A | 77.4 | Confident | 75.9 | Confident | 42 Ų | 42 | 107.5 Ų | 107.5 | 35% | 0.347 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | G354 Y355 R361 M362 | G354-A358 PolarHBondContact O-N 3.17Å; Y355-A358 PolarHBondContact O-N 2.99Å; A358-R361 PolarHBondContact O-N 2.9Å; A358-M362 PolarHBondContact O-N 3.28Å |
| 359 | W | 77.8 | Confident | 75 | Confident | 180 Ų | 180 | 109.9 Ų | 109.9 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.5 | -45.9 | 173.8 | -179.8 | -98.1 | 0 | 0 | 0 | 112.1 | Y355 R361 M362 K363 | Y355-W359 VanDerWaalsContact O-CB 3.23Å; Y355-W359 WeakPolarHBondContact O-CB 3.38Å; Y355-W359 PolarHBondContact O-N 3.44Å; W359-R361 VanDerWaalsContact C-N 3.32Å; W359-R361 PolarHBondContact O-N 2.95Å; W359-M362 PolarHBondContact O-N 2.79Å; W359-K363 WeakPolarHBondContact O-CB 3.31Å; W359-K363 PolarHBondContact O-N 3.24Å |
| 360 | N | 76.3 | Confident | 73.9 | Confident | 88 Ų | 88 | 110.3 Ų | 110.3 | 47% | 0.471 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.9 | -34.9 | 176.4 | -78.4 | -4.2 | 0 | 0 | 0 | 112.2 | R356 K363 I364 | R356-N360 VanDerWaalsContact O-CB 3.31Å; R356-N360 WeakPolarHBondContact O-CB 3.45Å; R356-N360 VanDerWaalsContact O-CG 3.32Å; R356-N360 PolarHBondContact O-N 2.81Å; N360-K363 PolarHBondContact O-N 2.87Å; N360-I364 WeakPolarHBondContact O-CB 3.21Å; N360-I364 WeakPolarHBondContact O-CD1 3.35Å; N360-I364 WeakPolarHBondContact O-CG1 3.44Å; N360-I364 PolarHBondContact O-N 3.32Å |
| 361 | R | 75.8 | Confident | 72.8 | Confident | 154 Ų | 154 | 106.5 Ų | 106.5 | 58% | 0.581 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -45.7 | 171.7 | -77.9 | -172.2 | -64.9 | -103.1 | 1.1 | 111.9 | K357 A358 W359 K363 I364 T365 | K357-R361 WeakPolarHBondContact O-CG 3.47Å; K357-R361 PolarHBondContact O-N 2.86Å; A358-R361 PolarHBondContact O-N 2.9Å; W359-R361 VanDerWaalsContact C-N 3.32Å; W359-R361 PolarHBondContact O-N 2.95Å; R361-K363 VanDerWaalsContact C-N 3.28Å; R361-K363 PolarHBondContact O-N 2.85Å; R361-I364 PolarHBondContact O-N 3.42Å; R361-T365 PolarHBondContact O-N 3.28Å; R361-T365 PolarHBondContact O-OG1 3.42Å |
| 362 | M | 73.6 | Confident | 71.8 | Confident | 133 Ų | 133 | 109.4 Ų | 109.4 | 66% | 0.655 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.6 | -40.2 | 173.7 | -87.2 | -162.6 | 80.7 | 0 | 0 | 111.8 | A358 W359 T365 N366 | A358-M362 PolarHBondContact O-N 3.28Å; W359-M362 PolarHBondContact O-N 2.79Å; M362-T365 VanDerWaalsContact CA-OG1 3.28Å; M362-T365 WeakPolarHBondContact CA-OG1 3.27Å; M362-T365 PolarHBondContact O-OG1 3.36Å; M362-N366 WeakPolarHBondContact O-CB 3.39Å; M362-N366 PolarHBondContact O-N 3.48Å |
| 363 | K | 73.1 | Confident | 70.7 | Confident | 106 Ų | 106 | 115.1 Ų | 115.1 | 46% | 0.461 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.9 | -46.5 | 176.3 | -171.8 | 177.2 | 172.6 | -178.1 | 0 | 111.3 | W359 N360 R361 N366 E367 | W359-K363 WeakPolarHBondContact O-CB 3.31Å; W359-K363 PolarHBondContact O-N 3.24Å; N360-K363 PolarHBondContact O-N 2.87Å; R361-K363 VanDerWaalsContact C-N 3.28Å; R361-K363 PolarHBondContact O-N 2.85Å; K363-N366 PolarHBondContact O-N 2.88Å; K363-E367 WeakPolarHBondContact CE-OE1 3.31Å; K363-E367 IonicContact NZ-OE1 3.92Å; K363-E367 WeakPolarHBondContact O-CB 3.31Å; K363-E367 VanDerWaalsContact O-CG 3.31Å; K363-E367 WeakPolarHBondContact O-CG 3.18Å; K363-E367 PolarHBondContact O-N 3.28Å |
| 364 | I | 71.6 | Confident | 69.5 | Low | 88 Ų | 88 | 116.2 Ų | 116.2 | 45% | 0.451 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -66.1 | -40.7 | 177.1 | -67.9 | 163.8 | 0 | 0 | 0 | 111.6 | N360 R361 N366 E367 Q368 | N360-I364 WeakPolarHBondContact O-CB 3.21Å; N360-I364 WeakPolarHBondContact O-CD1 3.35Å; N360-I364 WeakPolarHBondContact O-CG1 3.44Å; N360-I364 PolarHBondContact O-N 3.32Å; R361-I364 PolarHBondContact O-N 3.42Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-N366 PolarHBondContact O-N 2.95Å; I364-E367 PolarHBondContact O-N 2.88Å; I364-Q368 HydrophobicContact CG2-CG 4.44Å; I364-Q368 WeakPolarHBondContact O-CB 3.35Å; I364-Q368 VanDerWaalsContact O-CG 3.31Å; I364-Q368 WeakPolarHBondContact O-CG 3.48Å; I364-Q368 PolarHBondContact O-N 2.89Å |
| 365 | T | 70.3 | Confident | 68.3 | Low | 71 Ų | 71 | 118.5 Ų | 118.5 | 44% | 0.436 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68 | -32.2 | 175.1 | 48.2 | 0 | 0 | 0 | 0 | 112.4 | R361 M362 L369 | R361-T365 PolarHBondContact O-N 3.28Å; R361-T365 PolarHBondContact O-OG1 3.42Å; M362-T365 VanDerWaalsContact CA-OG1 3.28Å; M362-T365 WeakPolarHBondContact CA-OG1 3.27Å; M362-T365 PolarHBondContact O-OG1 3.36Å; T365-L369 WeakPolarHBondContact O-CB 2.96Å; T365-L369 VanDerWaalsContact O-CG 3.27Å; T365-L369 WeakPolarHBondContact O-CG 3.28Å; T365-L369 PolarHBondContact O-N 2.78Å |
| 366 | N | 66.1 | Low | 67.1 | Low | 100 Ų | 100 | 113.1 Ų | 113.1 | 54% | 0.535 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -74.8 | -36.4 | 174.7 | -161.5 | 12.9 | 0 | 0 | 0 | 111.3 | M362 K363 I364 L369 Q370 | M362-N366 WeakPolarHBondContact O-CB 3.39Å; M362-N366 PolarHBondContact O-N 3.48Å; K363-N366 PolarHBondContact O-N 2.88Å; I364-N366 VanDerWaalsContact C-N 3.32Å; I364-N366 PolarHBondContact O-N 2.95Å; N366-L369 PolarHBondContact O-N 3.03Å; N366-Q370 WeakPolarHBondContact O-CB 3.38Å; N366-Q370 PolarHBondContact O-N 3.16Å |
| 367 | E | 68.8 | Low | 65.4 | Low | 94 Ų | 94 | 116.9 Ų | 116.9 | 44% | 0.439 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.2 | -32.7 | 171.2 | -75 | 170.8 | 174.6 | 0 | 0 | 111.7 | K363 I364 Q370 A371 | K363-E367 WeakPolarHBondContact CE-OE1 3.31Å; K363-E367 IonicContact NZ-OE1 3.92Å; K363-E367 WeakPolarHBondContact O-CB 3.31Å; K363-E367 VanDerWaalsContact O-CG 3.31Å; K363-E367 WeakPolarHBondContact O-CG 3.18Å; K363-E367 PolarHBondContact O-N 3.28Å; I364-E367 PolarHBondContact O-N 2.88Å; E367-Q370 CarbonylContact O-C 3.59Å; E367-Q370 WeakPolarHBondContact O-CB 3.32Å; E367-Q370 PolarHBondContact O-N 2.8Å; E367-A371 PolarHBondContact O-N 3.42Å; E367-A371 VanDerWaalsContact O-N 3.08Å |
| 368 | Q | 60.9 | Low | 64.7 | Low | 110 Ų | 110 | 116.7 Ų | 116.7 | 51% | 0.514 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -72.9 | -38.3 | 171.7 | -78.6 | 167.3 | -28 | 0 | 0 | 112.2 | I364 Q370 A371 D372 | I364-Q368 HydrophobicContact CG2-CG 4.44Å; I364-Q368 WeakPolarHBondContact O-CB 3.35Å; I364-Q368 VanDerWaalsContact O-CG 3.31Å; I364-Q368 WeakPolarHBondContact O-CG 3.48Å; I364-Q368 PolarHBondContact O-N 2.89Å; Q368-Q370 VanDerWaalsContact C-N 3.3Å; Q368-Q370 PolarHBondContact O-N 3.48Å; Q368-A371 PolarHBondContact O-N 3.48Å; Q368-D372 PolarHBondContact O-N 2.84Å |
| 369 | L | 60.5 | Low | 64.1 | Low | 105 Ų | 105 | 120.6 Ų | 120.6 | 55% | 0.55 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -65.8 | -32.6 | 169.4 | -75 | 165.4 | 0 | 0 | 0 | 112 | T365 N366 A371 Y373 | T365-L369 WeakPolarHBondContact O-CB 2.96Å; T365-L369 VanDerWaalsContact O-CG 3.27Å; T365-L369 WeakPolarHBondContact O-CG 3.28Å; T365-L369 PolarHBondContact O-N 2.78Å; N366-L369 PolarHBondContact O-N 3.03Å; L369-A371 VanDerWaalsContact C-N 3.27Å; L369-A371 PolarHBondContact O-N 3.42Å; L369-Y373 PolarHBondContact O-N 3.08Å; L369-Y373 VanDerWaalsContact O-N 3.16Å |
| 370 | Q | 57.8 | Low | 63.3 | Low | 131 Ų | 131 | 117.3 Ų | 117.3 | 61% | 0.612 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.6 | -18.5 | 168.2 | -85.8 | -176.7 | -27.9 | 0 | 0 | 113.7 | N366 E367 Q368 L374 | N366-Q370 WeakPolarHBondContact O-CB 3.38Å; N366-Q370 PolarHBondContact O-N 3.16Å; E367-Q370 CarbonylContact O-C 3.59Å; E367-Q370 WeakPolarHBondContact O-CB 3.32Å; E367-Q370 PolarHBondContact O-N 2.8Å; Q368-Q370 VanDerWaalsContact C-N 3.3Å; Q368-Q370 PolarHBondContact O-N 3.48Å; Q370-L374 WeakPolarHBondContact O-CD1 3.43Å |
| 371 | A | 57.8 | Low | 62.6 | Low | 55 Ų | 55 | 119.1 Ų | 119.1 | 46% | 0.455 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -91.4 | -37.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E367 Q368 L369 L374 | E367-A371 PolarHBondContact O-N 3.42Å; E367-A371 VanDerWaalsContact O-N 3.08Å; Q368-A371 PolarHBondContact O-N 3.48Å; L369-A371 VanDerWaalsContact C-N 3.27Å; L369-A371 PolarHBondContact O-N 3.42Å; A371-L374 PolarHBondContact O-N 3.23Å |
| 372 | D | 58.4 | Low | 61.7 | Low | 117 Ų | 117 | 116.9 Ų | 116.9 | 63% | 0.626 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -77.3 | -28.8 | -177.9 | -72 | -17.1 | 0 | 0 | 0 | 113.1 | Q368 L374 A375 | Q368-D372 PolarHBondContact O-N 2.84Å; D372-L374 PolarHBondContact O-N 3.25Å; D372-A375 PolarHBondContact O-N 3.43Å |
| 373 | Y | 59.1 | Low | 60.9 | Low | 211 Ų | 211 | 115.8 Ų | 115.8 | 83% | 0.827 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -17.6 | 168.7 | -111 | -85.7 | 0 | 0 | 0 | 113.2 | L369 | L369-Y373 PolarHBondContact O-N 3.08Å; L369-Y373 VanDerWaalsContact O-N 3.16Å |
| 374 | L | 56.7 | Low | 60.1 | Low | 159 Ų | 159 | 116.5 Ų | 116.5 | 83% | 0.832 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | 5.8 | 172.1 | -74.5 | 173.7 | 0 | 0 | 0 | 112.9 | Q370 A371 D372 | Q370-L374 WeakPolarHBondContact O-CD1 3.43Å; A371-L374 PolarHBondContact O-N 3.23Å; D372-L374 PolarHBondContact O-N 3.25Å |
| 375 | A | 52.5 | Low | 59.2 | Low | 83 Ų | 83 | 118.7 Ų | 118.7 | 69% | 0.686 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -132 | 16.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | D372 | D372-A375 PolarHBondContact O-N 3.43Š|
| 376 | G | 55.8 | Low | 58.3 | Low | 61 Ų | 61 | 122.7 Ų | 122.7 | 63% | 0.629 | 67% | 0.668 | S | S | * | * | trans | -151.3 | 108.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 377 | N | 44.5 | Very low | 57.5 | Low | 246 Ų | 246 | 124.7 Ų | 124.7 | 100% | 1.316 | 68% | 0.681 | S | S | * | * | trans | 80.9 | 0 | 176 | -71.7 | -9.2 | 0 | 0 | 0 | 119.4 |
Retrieved 377 of 377 residues in 175.1 ms
(Link to these results)