| 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 | 78.4 | Confident | 94.5 | Very high | 205 Ų | 205 | 117.3 Ų | 117.3 | 100% | 1.01 | 62% | 0.624 | S | S | * | * | 0 | -58.8 | 0 | -145.3 | 167.7 | -143.1 | 0 | 0 | 111.3 | K3 S4 L5 | M1-K3 PolarHBondContact O-N 3.4Å; M1-S4 WeakPolarHBondContact O-CB 3.39Å; M1-S4 PolarHBondContact O-N 3.45Å; M1-S4 VanDerWaalsContact O-N 3.13Å; M1-L5 PolarHBondContact O-N 3.46Å | |||
| 2 | L | 94 | Very high | 94.8 | Very high | 126 Ų | 126 | 118.4 Ų | 118.4 | 66% | 0.66 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -54.2 | -50.4 | -177.9 | -172.9 | 63.3 | 0 | 0 | 0 | 115.2 | S4 L5 M6 | L2-S4 PolarHBondContact O-N 3.46Å; L2-L5 WeakPolarHBondContact O-CB 3.32Å; L2-L5 PolarHBondContact O-N 3.38Å; L2-M6 HydrophobicContact CG-CG 4.49Å; L2-M6 HydrophobicContact CG-SD 4.25Å; L2-M6 WeakPolarHBondContact O-CG 3.37Å; L2-M6 PolarHBondContact O-N 3Å |
| 3 | K | 93.9 | Very high | 95 | Very high | 180 Ų | 180 | 116.7 Ų | 116.7 | 78% | 0.783 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -56.4 | -36.4 | 178.2 | -67.2 | -174.7 | 179.1 | -175.6 | 0 | 113.2 | M1 M6 V7 | M1-K3 PolarHBondContact O-N 3.4Å; K3-M6 PolarHBondContact O-N 3.33Å; K3-V7 WeakPolarHBondContact O-CG2 3.47Å; K3-V7 PolarHBondContact O-N 3.4Å |
| 4 | S | 94.6 | Very high | 95.2 | Very high | 90 Ų | 90 | 115.3 Ų | 115.3 | 63% | 0.629 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.3 | -38.5 | 178.1 | -168.2 | 0 | 0 | 0 | 0 | 111.6 | M1 L2 A8 | M1-S4 WeakPolarHBondContact O-CB 3.39Å; M1-S4 PolarHBondContact O-N 3.45Å; M1-S4 VanDerWaalsContact O-N 3.13Å; L2-S4 PolarHBondContact O-N 3.46Å; S4-A8 WeakPolarHBondContact O-CB 3.46Å; S4-A8 PolarHBondContact O-N 3.41Å |
| 5 | L | 96.2 | Very high | 95.4 | Very high | 111 Ų | 111 | 114.6 Ų | 114.6 | 58% | 0.581 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -68.6 | -39.1 | 176.2 | -64.8 | 173.5 | 0 | 0 | 0 | 111.2 | M1 L2 A8 K9 | M1-L5 PolarHBondContact O-N 3.46Å; L2-L5 WeakPolarHBondContact O-CB 3.32Å; L2-L5 PolarHBondContact O-N 3.38Å; L5-A8 PolarHBondContact O-N 3.01Å; L5-K9 WeakPolarHBondContact O-CB 3.37Å; L5-K9 PolarHBondContact O-N 3.37Å |
| 6 | M | 97.1 | Very high | 95.6 | Very high | 119 Ų | 119 | 114 Ų | 114 | 59% | 0.586 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.9 | -43.7 | 175.3 | -67.2 | 178.5 | 74.5 | 0 | 0 | 112.2 | L2 K3 K9 A10 | L2-M6 HydrophobicContact CG-CG 4.49Å; L2-M6 HydrophobicContact CG-SD 4.25Å; L2-M6 WeakPolarHBondContact O-CG 3.37Å; L2-M6 PolarHBondContact O-N 3Å; K3-M6 PolarHBondContact O-N 3.33Å; M6-K9 PolarHBondContact O-N 3.32Å; M6-A10 WeakPolarHBondContact O-CB 3.25Å; M6-A10 PolarHBondContact O-N 2.92Å |
| 7 | V | 97.2 | Very high | 95.7 | Very high | 105 Ų | 105 | 114.5 Ų | 114.5 | 64% | 0.636 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.5 | -38.8 | 176.8 | 172.3 | 0 | 0 | 0 | 0 | 111.3 | K3 A10 K11 | K3-V7 WeakPolarHBondContact O-CG2 3.47Å; K3-V7 PolarHBondContact O-N 3.4Å; V7-A10 PolarHBondContact O-N 3.4Å; V7-K11 WeakPolarHBondContact O-CB 3.48Å; V7-K11 PolarHBondContact O-N 3.49Å |
| 8 | A | 96.3 | Very high | 95.8 | Very high | 58 Ų | 58 | 114.2 Ų | 114.2 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -60.8 | -47.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S4 L5 K11 E12 | S4-A8 WeakPolarHBondContact O-CB 3.46Å; S4-A8 PolarHBondContact O-N 3.41Å; L5-A8 PolarHBondContact O-N 3.01Å; A8-K11 WeakPolarHBondContact O-CB 3.42Å; A8-K11 PolarHBondContact O-N 2.93Å; A8-E12 PolarHBondContact O-N 3.16Å; A8-E12 VanDerWaalsContact O-N 3.11Å |
| 9 | K | 97.5 | Very high | 96 | Very high | 121 Ų | 121 | 115.6 Ų | 115.6 | 53% | 0.526 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.8 | -42.7 | 177.1 | -170.4 | 173.4 | -163 | -83.5 | 0 | 112.7 | L5 M6 K11 E12 E13 | L5-K9 WeakPolarHBondContact O-CB 3.37Å; L5-K9 PolarHBondContact O-N 3.37Å; M6-K9 PolarHBondContact O-N 3.32Å; K9-K11 PolarHBondContact O-N 3.25Å; K9-E12 WeakPolarHBondContact O-CB 3.41Å; K9-E12 PolarHBondContact O-N 3.03Å; K9-E13 IonicContact NZ-OE1 3.95Å; K9-E13 PolarHBondContact NZ-OE1 3.14Å; K9-E13 WeakPolarHBondContact O-CG 3.3Å; K9-E13 PolarHBondContact O-N 2.97Å |
| 10 | A | 97.5 | Very high | 96.1 | Very high | 53 Ų | 53 | 114 Ų | 114 | 44% | 0.438 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63.5 | -32.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | M6 V7 L14 | M6-A10 WeakPolarHBondContact O-CB 3.25Å; M6-A10 PolarHBondContact O-N 2.92Å; V7-A10 PolarHBondContact O-N 3.4Å; A10-L14 VanDerWaalsContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CB 3.31Å; A10-L14 PolarHBondContact O-N 2.92Å |
| 11 | K | 97.1 | Very high | 96.1 | Very high | 122 Ų | 122 | 115.5 Ų | 115.5 | 53% | 0.53 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.4 | -44 | 174.4 | -171.6 | -179 | 178 | -91.3 | 0 | 111.4 | V7 A8 K9 L14 E15 | V7-K11 WeakPolarHBondContact O-CB 3.48Å; V7-K11 PolarHBondContact O-N 3.49Å; A8-K11 WeakPolarHBondContact O-CB 3.42Å; A8-K11 PolarHBondContact O-N 2.93Å; K9-K11 PolarHBondContact O-N 3.25Å; K11-L14 PolarHBondContact O-N 3.03Å; K11-E15 WeakPolarHBondContact CE-OE1 3.42Å; K11-E15 IonicContact NZ-OE1 3.78Å; K11-E15 PolarHBondContact NZ-OE1 3.43Å; K11-E15 IonicContact NZ-OE2 2.83Å; K11-E15 WeakPolarHBondContact O-CG 3.43Å; K11-E15 PolarHBondContact O-N 3.44Å |
| 12 | E | 97.8 | Very high | 97.1 | Very high | 131 Ų | 131 | 112.3 Ų | 112.3 | 61% | 0.612 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -61.1 | -47.1 | 176.1 | -176.1 | 178.8 | -172.2 | 0 | 0 | 111.2 | A8 K9 L14 E15 Q16 | A8-E12 PolarHBondContact O-N 3.16Å; A8-E12 VanDerWaalsContact O-N 3.11Å; K9-E12 WeakPolarHBondContact O-CB 3.41Å; K9-E12 PolarHBondContact O-N 3.03Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 3.39Å; E12-E15 PolarHBondContact O-N 3Å; E12-Q16 PolarHBondContact O-N 3.22Å |
| 13 | E | 98 | Very high | 97.3 | Very high | 96 Ų | 96 | 111.3 Ų | 111.3 | 45% | 0.449 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.1 | -39 | 175.8 | -72.7 | 171.7 | -177.7 | 0 | 0 | 112.2 | K9 Q16 E17 | K9-E13 IonicContact NZ-OE1 3.95Å; K9-E13 PolarHBondContact NZ-OE1 3.14Å; K9-E13 WeakPolarHBondContact O-CG 3.3Å; K9-E13 PolarHBondContact O-N 2.97Å; E13-Q16 PolarHBondContact O-N 3.13Å; E13-E17 WeakPolarHBondContact O-CB 3.48Å; E13-E17 PolarHBondContact O-N 3.33Å |
| 14 | L | 97.9 | Very high | 97.4 | Very high | 97 Ų | 97 | 108.8 Ų | 108.8 | 51% | 0.508 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 176.4 | -179.3 | 64.8 | 0 | 0 | 0 | 112.2 | A10 K11 E12 Q16 E17 M18 | A10-L14 VanDerWaalsContact O-CB 3.32Å; A10-L14 WeakPolarHBondContact O-CB 3.31Å; A10-L14 PolarHBondContact O-N 2.92Å; K11-L14 PolarHBondContact O-N 3.03Å; E12-L14 VanDerWaalsContact C-N 3.32Å; E12-L14 PolarHBondContact O-N 3.39Å; L14-Q16 VanDerWaalsContact C-N 3.35Å; L14-E17 PolarHBondContact O-N 3.43Å; L14-M18 WeakPolarHBondContact O-CG 3.44Å; L14-M18 PolarHBondContact O-N 2.94Å |
| 15 | E | 97.7 | Very high | 97.6 | Very high | 105 Ų | 105 | 111.1 Ų | 111.1 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -64.6 | -42.1 | 176 | -75.8 | 174.6 | 179.9 | 0 | 0 | 110.8 | K11 E12 M18 E19 | K11-E15 WeakPolarHBondContact CE-OE1 3.42Å; K11-E15 IonicContact NZ-OE1 3.78Å; K11-E15 PolarHBondContact NZ-OE1 3.43Å; K11-E15 IonicContact NZ-OE2 2.83Å; K11-E15 WeakPolarHBondContact O-CG 3.43Å; K11-E15 PolarHBondContact O-N 3.44Å; E12-E15 PolarHBondContact O-N 3Å; E15-M18 PolarHBondContact O-N 2.96Å; E15-E19 PolarHBondContact O-N 3.39Å; E15-E19 VanDerWaalsContact O-N 3.15Å |
| 16 | Q | 98.1 | Very high | 97.6 | Very high | 105 Ų | 105 | 108.5 Ų | 108.5 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 174.1 | -174.5 | -176.8 | -13.4 | 0 | 0 | 112 | E12 E13 L14 M18 E19 E20 | E12-Q16 PolarHBondContact O-N 3.22Å; E13-Q16 PolarHBondContact O-N 3.13Å; L14-Q16 VanDerWaalsContact C-N 3.35Å; Q16-M18 VanDerWaalsContact C-N 3.26Å; Q16-M18 PolarHBondContact O-N 3.42Å; Q16-E19 PolarHBondContact O-N 2.7Å; Q16-E20 PolarHBondContact NE2-OE1 3.35Å; Q16-E20 WeakPolarHBondContact O-CG 3.46Å; Q16-E20 PolarHBondContact O-N 2.79Å |
| 17 | E | 98.2 | Very high | 97.6 | Very high | 123 Ų | 123 | 108.2 Ų | 108.2 | 58% | 0.575 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59.7 | -37.9 | 177.4 | -174 | -173.7 | 174.6 | 0 | 0 | 111.7 | E13 L14 K21 | E13-E17 WeakPolarHBondContact O-CB 3.48Å; E13-E17 PolarHBondContact O-N 3.33Å; L14-E17 PolarHBondContact O-N 3.43Å; E17-K21 VanDerWaalsContact O-CB 3.26Å; E17-K21 WeakPolarHBondContact O-CB 3.46Å; E17-K21 PolarHBondContact O-N 2.88Å |
| 18 | M | 97.8 | Very high | 97.6 | Very high | 108 Ų | 108 | 110 Ų | 110 | 53% | 0.532 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 176.1 | -75.1 | -178.1 | 58.7 | 0 | 0 | 112.1 | L14 E15 Q16 K21 E22 | L14-M18 WeakPolarHBondContact O-CG 3.44Å; L14-M18 PolarHBondContact O-N 2.94Å; E15-M18 PolarHBondContact O-N 2.96Å; Q16-M18 VanDerWaalsContact C-N 3.26Å; Q16-M18 PolarHBondContact O-N 3.42Å; M18-K21 PolarHBondContact O-N 3.03Å; M18-E22 WeakPolarHBondContact O-CG 3.3Å; M18-E22 PolarHBondContact O-N 3.01Å |
| 19 | E | 97.9 | Very high | 97.6 | Very high | 141 Ų | 141 | 111.2 Ų | 111.2 | 66% | 0.659 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.5 | -46.7 | 177.6 | -174 | 171.7 | -165.8 | 0 | 0 | 111.4 | E15 Q16 K21 E22 E23 | E15-E19 PolarHBondContact O-N 3.39Å; E15-E19 VanDerWaalsContact O-N 3.15Å; Q16-E19 PolarHBondContact O-N 2.7Å; E19-K21 VanDerWaalsContact C-N 3.26Å; E19-K21 PolarHBondContact O-N 3.36Å; E19-E22 PolarHBondContact O-N 3.48Å; E19-E22 VanDerWaalsContact O-N 3.15Å; E19-E23 PolarHBondContact O-N 3.31Å |
| 20 | E | 98.1 | Very high | 97.5 | Very high | 84 Ų | 84 | 112.1 Ų | 112.1 | 39% | 0.393 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -58.7 | -39.7 | 176.3 | -71.2 | 177.3 | -169.2 | 0 | 0 | 111.7 | Q16 E23 Q24 | Q16-E20 PolarHBondContact NE2-OE1 3.35Å; Q16-E20 WeakPolarHBondContact O-CG 3.46Å; Q16-E20 PolarHBondContact O-N 2.79Å; E20-E23 PolarHBondContact O-N 3.1Å; E20-Q24 WeakPolarHBondContact O-CB 3.1Å; E20-Q24 WeakPolarHBondContact O-CG 3.45Å; E20-Q24 PolarHBondContact O-N 3.45Å |
| 21 | K | 97.9 | Very high | 97.4 | Very high | 146 Ų | 146 | 115.9 Ų | 115.9 | 64% | 0.635 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67.7 | -38.3 | 177.5 | -173.9 | 176.1 | -177.4 | 174.5 | 0 | 112.5 | E17 M18 E19 K25 | E17-K21 VanDerWaalsContact O-CB 3.26Å; E17-K21 WeakPolarHBondContact O-CB 3.46Å; E17-K21 PolarHBondContact O-N 2.88Å; M18-K21 PolarHBondContact O-N 3.03Å; E19-K21 VanDerWaalsContact C-N 3.26Å; E19-K21 PolarHBondContact O-N 3.36Å; K21-K25 WeakPolarHBondContact O-CB 3.45Å; K21-K25 PolarHBondContact O-N 3.43Å |
| 22 | E | 97.8 | Very high | 97.2 | Very high | 138 Ų | 138 | 115.4 Ų | 115.4 | 65% | 0.645 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.2 | -41.6 | 174.4 | -75 | -174.9 | 174.8 | 0 | 0 | 111.4 | M18 E19 K25 A26 | M18-E22 WeakPolarHBondContact O-CG 3.3Å; M18-E22 PolarHBondContact O-N 3.01Å; E19-E22 PolarHBondContact O-N 3.48Å; E19-E22 VanDerWaalsContact O-N 3.15Å; E22-K25 WeakPolarHBondContact O-CB 3.49Å; E22-K25 PolarHBondContact O-N 2.87Å; E22-A26 PolarHBondContact O-N 2.96Å |
| 23 | E | 97.9 | Very high | 97 | Very high | 105 Ų | 105 | 114.2 Ų | 114.2 | 49% | 0.491 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.2 | -44.4 | 176.9 | -161.3 | -167.2 | 171.6 | 0 | 0 | 111.8 | E19 E20 K25 A26 K27 | E19-E23 PolarHBondContact O-N 3.31Å; E20-E23 PolarHBondContact O-N 3.1Å; E23-K25 VanDerWaalsContact C-N 3.31Å; E23-K25 PolarHBondContact O-N 3.32Å; E23-A26 PolarHBondContact O-N 3.46Å; E23-K27 WeakPolarHBondContact O-CG 3.29Å; E23-K27 PolarHBondContact O-N 3Å; E23-K27 WeakPolarHBondContact OE1-CE 3.37Å; E23-K27 IonicContact OE1-NZ 2.84Å; E23-K27 PolarHBondContact OE1-NZ 2.94Å; E23-K27 IonicContact OE2-NZ 3.98Å |
| 24 | Q | 97.8 | Very high | 96.6 | Very high | 126 Ų | 126 | 113.4 Ų | 113.4 | 59% | 0.589 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -60.8 | -41 | 174.5 | -74.2 | 172.3 | 18.2 | 0 | 0 | 111.7 | E20 K27 Y28 | E20-Q24 WeakPolarHBondContact O-CB 3.1Å; E20-Q24 WeakPolarHBondContact O-CG 3.45Å; E20-Q24 PolarHBondContact O-N 3.45Å; Q24-K27 PolarHBondContact O-N 3.37Å; Q24-Y28 WeakPolarHBondContact O-CB 3.27Å; Q24-Y28 PolarHBondContact O-N 3.45Å |
| 25 | K | 97.4 | Very high | 96.3 | Very high | 139 Ų | 139 | 114.5 Ų | 114.5 | 60% | 0.604 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -61.8 | -44.3 | 175 | -179 | -175.5 | 175.9 | -172.8 | 0 | 111.2 | K21 E22 E23 Y28 L29 | K21-K25 WeakPolarHBondContact O-CB 3.45Å; K21-K25 PolarHBondContact O-N 3.43Å; E22-K25 WeakPolarHBondContact O-CB 3.49Å; E22-K25 PolarHBondContact O-N 2.87Å; E23-K25 VanDerWaalsContact C-N 3.31Å; E23-K25 PolarHBondContact O-N 3.32Å; K25-Y28 PolarHBondContact O-N 3.43Å; K25-L29 HydrophobicContact CG-CD1 4.1Å; K25-L29 WeakPolarHBondContact O-CB 3.28Å; K25-L29 WeakPolarHBondContact O-CG 3.39Å; K25-L29 PolarHBondContact O-N 3.47Å |
| 26 | A | 96.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 112.2 Ų | 112.2 | 47% | 0.471 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.5 | -48.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | E22 E23 Y28 L29 E30 | E22-A26 PolarHBondContact O-N 2.96Å; E23-A26 PolarHBondContact O-N 3.46Å; A26-Y28 VanDerWaalsContact C-N 3.35Å; A26-Y28 PolarHBondContact O-N 2.89Å; A26-L29 PolarHBondContact O-N 3.49Å; A26-E30 WeakPolarHBondContact O-CB 3.41Å; A26-E30 PolarHBondContact O-N 3.16Å |
| 27 | K | 97.3 | Very high | 95.1 | Very high | 113 Ų | 113 | 111.5 Ų | 111.5 | 49% | 0.491 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -58.3 | -44.4 | 176.6 | -72.1 | 172.7 | -177.3 | 164.3 | 0 | 112.3 | E23 Q24 E30 E31 | E23-K27 WeakPolarHBondContact O-CG 3.29Å; E23-K27 PolarHBondContact O-N 3Å; E23-K27 WeakPolarHBondContact OE1-CE 3.37Å; E23-K27 IonicContact OE1-NZ 2.84Å; E23-K27 PolarHBondContact OE1-NZ 2.94Å; E23-K27 IonicContact OE2-NZ 3.98Å; Q24-K27 PolarHBondContact O-N 3.37Å; K27-E30 PolarHBondContact O-N 2.84Å; K27-E31 PolarHBondContact O-N 2.83Å; K27-E31 VanDerWaalsContact O-N 3.1Å |
| 28 | Y | 97.3 | Very high | 94.6 | Very high | 142 Ų | 142 | 109.9 Ų | 109.9 | 56% | 0.557 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -62.3 | -44.1 | 177.7 | 178.5 | -93.5 | 0 | 0 | 0 | 112.2 | Q24 K25 A26 E31 K32 | Q24-Y28 WeakPolarHBondContact O-CB 3.27Å; Q24-Y28 PolarHBondContact O-N 3.45Å; K25-Y28 PolarHBondContact O-N 3.43Å; A26-Y28 VanDerWaalsContact C-N 3.35Å; A26-Y28 PolarHBondContact O-N 2.89Å; Y28-E31 PolarHBondContact O-N 3.25Å; Y28-K32 HydrophobicContact CD1-CG 4.26Å; Y28-K32 HydrophobicContact CD2-CG 4.28Å; Y28-K32 HydrophobicContact CE1-CB 4.44Å; Y28-K32 HydrophobicContact CE1-CG 3.81Å; Y28-K32 HydrophobicContact CE2-CG 3.84Å; Y28-K32 HydrophobicContact CG-CG 4.48Å; Y28-K32 WeakPolarHBondContact O-CB 3.46Å; Y28-K32 WeakPolarHBondContact O-CG 3.32Å; Y28-K32 PolarHBondContact O-N 3.1Å |
| 29 | L | 96.2 | Very high | 94.2 | Very high | 83 Ų | 83 | 110.7 Ų | 110.7 | 44% | 0.435 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -68.1 | -36.9 | 179 | -71.7 | 174.3 | 0 | 0 | 0 | 112.2 | K25 A26 E31 K32 V33 | K25-L29 HydrophobicContact CG-CD1 4.1Å; K25-L29 WeakPolarHBondContact O-CB 3.28Å; K25-L29 WeakPolarHBondContact O-CG 3.39Å; K25-L29 PolarHBondContact O-N 3.47Å; A26-L29 PolarHBondContact O-N 3.49Å; L29-E31 VanDerWaalsContact C-N 3.33Å; L29-E31 PolarHBondContact O-N 2.78Å; L29-K32 PolarHBondContact O-N 3.24Å; L29-V33 CarbonylContact O-C 3.38Å; L29-V33 WeakPolarHBondContact O-CA 3.46Å; L29-V33 PolarHBondContact O-N 2.91Å |
| 30 | E | 95.7 | Very high | 93.8 | Very high | 140 Ų | 140 | 108.1 Ų | 108.1 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -62.8 | -39.7 | 175.1 | -173.7 | 174 | -165.8 | 0 | 0 | 111.9 | A26 K27 | A26-E30 WeakPolarHBondContact O-CB 3.41Å; A26-E30 PolarHBondContact O-N 3.16Å; K27-E30 PolarHBondContact O-N 2.84Å |
| 31 | E | 95.3 | Very high | 93.5 | Very high | 133 Ų | 133 | 107.1 Ų | 107.1 | 62% | 0.621 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -70 | -45.8 | 175.8 | -169.8 | -160.8 | 127.5 | 0 | 0 | 112.4 | K27 Y28 L29 | K27-E31 PolarHBondContact O-N 2.83Å; K27-E31 VanDerWaalsContact O-N 3.1Å; Y28-E31 PolarHBondContact O-N 3.25Å; L29-E31 VanDerWaalsContact C-N 3.33Å; L29-E31 PolarHBondContact O-N 2.78Å |
| 32 | K | 93.5 | Very high | 93.4 | Very high | 111 Ų | 111 | 102.8 Ų | 102.8 | 48% | 0.483 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -82.7 | -31.7 | -173 | -66.5 | -49.2 | -175.1 | -150.8 | 0 | 114.2 | Y28 L29 | Y28-K32 HydrophobicContact CD1-CG 4.26Å; Y28-K32 HydrophobicContact CD2-CG 4.28Å; Y28-K32 HydrophobicContact CE1-CB 4.44Å; Y28-K32 HydrophobicContact CE1-CG 3.81Å; Y28-K32 HydrophobicContact CE2-CG 3.84Å; Y28-K32 HydrophobicContact CG-CG 4.48Å; Y28-K32 WeakPolarHBondContact O-CB 3.46Å; Y28-K32 WeakPolarHBondContact O-CG 3.32Å; Y28-K32 PolarHBondContact O-N 3.1Å; L29-K32 PolarHBondContact O-N 3.24Å |
| 33 | V | 92.1 | Very high | 93.2 | Very high | 107 Ų | 107 | 102 Ų | 102 | 65% | 0.648 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -133.9 | 67.5 | -176.8 | -167.7 | 0 | 0 | 0 | 0 | 108.9 | L29 | L29-V33 CarbonylContact O-C 3.38Å; L29-V33 WeakPolarHBondContact O-CA 3.46Å; L29-V33 PolarHBondContact O-N 2.91Å |
| 34 | P | 91.1 | Very high | 93.1 | Very high | 78 Ų | 78 | 104.6 Ų | 104.6 | 51% | 0.506 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -63.3 | 156.5 | 174.5 | 28.3 | -35.1 | 0 | 0 | 0 | 110.5 | A36 | P34-A36 PolarHBondContact O-N 3.39Š|
| 35 | P | 90.9 | Very high | 93 | Very high | 121 Ų | 121 | 103.5 Ų | 103.5 | 79% | 0.786 | 58% | 0.575 | S | S | * | * | P | Polyproline II helix | trans | -53.1 | 128.4 | 175.7 | -25.9 | 34.6 | 0 | 0 | 0 | 111.6 | ||
| 36 | A | 86.7 | Confident | 92.9 | Very high | 56 Ų | 56 | 100.1 Ų | 100.1 | 46% | 0.463 | 56% | 0.563 | S | S | . | * | P | Polyproline II helix | trans | -64.2 | 126.1 | -177.1 | 0 | 0 | 0 | 0 | 0 | 110.7 | P34 V38 | P34-A36 PolarHBondContact O-N 3.39Å; A36-V38 VanDerWaalsContact C-N 3.32Å; A36-V38 HydrophobicContact CB-CG1 4.22Å; A36-V38 PolarHBondContact O-N 3Å |
| 37 | P | 83.4 | Confident | 92.8 | Very high | 90 Ų | 90 | 103.3 Ų | 103.3 | 58% | 0.584 | 57% | 0.567 | S | S | * | * | trans | -78.9 | 82.4 | -179.9 | 31.9 | -34 | 0 | 0 | 0 | 109.7 | L41 | P37-L41 WeakPolarHBondContact O-CD1 3.42Å; P37-L41 WeakPolarHBondContact O-CG 3.37Å | ||
| 38 | V | 87.6 | Confident | 92.7 | Very high | 89 Ų | 89 | 100.1 Ų | 100.1 | 54% | 0.539 | 56% | 0.562 | S | S | . | * | trans | -88.1 | -14.6 | -178.7 | -64.8 | 0 | 0 | 0 | 0 | 113.4 | A36 | A36-V38 VanDerWaalsContact C-N 3.32Å; A36-V38 HydrophobicContact CB-CG1 4.22Å; A36-V38 PolarHBondContact O-N 3Å | ||
| 39 | T | 90.1 | Very high | 92.6 | Very high | 126 Ų | 126 | 95.1 Ų | 95.1 | 77% | 0.773 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.8 | 129.7 | -177.2 | 52.5 | 0 | 0 | 0 | 0 | 111.4 | L41 | T39-L41 VanDerWaalsContact C-N 3.32Š|
| 40 | G | 88.8 | Confident | 92.6 | Very high | 86 Ų | 86 | 94.8 Ų | 94.8 | 89% | 0.887 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 2.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 41 | L | 93.2 | Very high | 92.6 | Very high | 64 Ų | 64 | 94.6 Ų | 94.6 | 34% | 0.335 | 55% | 0.547 | S | S | . | . | trans | -76.3 | 142.4 | 172 | -63.8 | -178.3 | 0 | 0 | 0 | 111.3 | P37 T39 E45 L46 L49 | P37-L41 WeakPolarHBondContact O-CD1 3.42Å; P37-L41 WeakPolarHBondContact O-CG 3.37Å; T39-L41 VanDerWaalsContact C-N 3.32Å; L41-E45 HydrophobicContact CB-CB 4.2Å; L41-E45 HydrophobicContact CD2-CB 4.11Å; L41-L46 HydrophobicContact CD1-CD1 4.39Å; L41-L49 HydrophobicContact CD1-CD2 3.9Å | ||
| 42 | S | 94.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 92.7 Ų | 92.7 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | trans | -70.4 | 166.8 | 165.9 | 67.7 | 0 | 0 | 0 | 0 | 111.5 | E44 E45 L46 | S42-E44 VanDerWaalsContact C-N 3.26Å; S42-E44 PolarHBondContact O-N 3.25Å; S42-E45 VanDerWaalsContact CB-OE2 3.31Å; S42-E45 WeakPolarHBondContact CB-OE2 3.37Å; S42-E45 PolarHBondContact N-OE2 3.36Å; S42-E45 PolarHBondContact O-N 2.81Å; S42-E45 VanDerWaalsContact OG-CD 3.24Å; S42-E45 VanDerWaalsContact OG-CG 3.3Å; S42-E45 WeakPolarHBondContact OG-CG 3.4Å; S42-E45 PolarHBondContact OG-N 3.47Å; S42-E45 PolarHBondContact OG-OE2 2.87Å; S42-L46 WeakPolarHBondContact O-CB 3.5Å; S42-L46 PolarHBondContact O-N 2.96Å | ||
| 43 | L | 94.1 | Very high | 92.7 | Very high | 120 Ų | 120 | 91 Ų | 91 | 63% | 0.628 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -60.1 | -36.5 | 178.7 | -177.8 | 69.3 | 0 | 0 | 0 | 112.6 | K47 | L43-K47 WeakPolarHBondContact O-CG 3.33Å; L43-K47 PolarHBondContact O-N 3.12Å; L43-K47 VanDerWaalsContact O-N 3.13Å |
| 44 | E | 96.1 | Very high | 92.9 | Very high | 161 Ų | 161 | 91.4 Ų | 91.4 | 75% | 0.752 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.4 | -45.9 | -179.7 | -67.8 | 179.5 | 178.9 | 0 | 0 | 111.1 | S42 L46 K47 A48 | S42-E44 VanDerWaalsContact C-N 3.26Å; S42-E44 PolarHBondContact O-N 3.25Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-L46 PolarHBondContact O-N 2.92Å; E44-K47 PolarHBondContact O-N 3.34Å; E44-A48 PolarHBondContact O-N 3.49Å |
| 45 | E | 94.8 | Very high | 93.2 | Very high | 102 Ų | 102 | 91.1 Ų | 91.1 | 48% | 0.477 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.7 | -37.3 | 175.9 | -67.9 | 163.9 | 141.9 | 0 | 0 | 111.8 | L41 S42 A48 L49 | L41-E45 HydrophobicContact CB-CB 4.2Å; L41-E45 HydrophobicContact CD2-CB 4.11Å; S42-E45 VanDerWaalsContact CB-OE2 3.31Å; S42-E45 WeakPolarHBondContact CB-OE2 3.37Å; S42-E45 PolarHBondContact N-OE2 3.36Å; S42-E45 PolarHBondContact O-N 2.81Å; S42-E45 VanDerWaalsContact OG-CD 3.24Å; S42-E45 VanDerWaalsContact OG-CG 3.3Å; S42-E45 WeakPolarHBondContact OG-CG 3.4Å; S42-E45 PolarHBondContact OG-N 3.47Å; S42-E45 PolarHBondContact OG-OE2 2.87Å; E45-A48 PolarHBondContact O-N 3.03Å; E45-L49 WeakPolarHBondContact O-CB 3.32Å; E45-L49 PolarHBondContact O-N 3.42Å |
| 46 | L | 94.8 | Very high | 93.5 | Very high | 68 Ų | 68 | 91.4 Ų | 91.4 | 36% | 0.356 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.6 | -40.6 | 176.4 | -171.8 | 67.3 | 0 | 0 | 0 | 111.9 | L41 S42 E44 L49 C50 | L41-L46 HydrophobicContact CD1-CD1 4.39Å; S42-L46 WeakPolarHBondContact O-CB 3.5Å; S42-L46 PolarHBondContact O-N 2.96Å; E44-L46 VanDerWaalsContact C-N 3.29Å; E44-L46 PolarHBondContact O-N 2.92Å; L46-L49 PolarHBondContact O-N 3.3Å; L46-C50 PolarHBondContact O-N 2.85Å; L46-C50 PolarHBondContact O-SG 2.99Å; L46-C50 VanDerWaalsContact O-SG 3.33Å |
| 47 | K | 95.8 | Very high | 94 | Very high | 124 Ų | 124 | 93.9 Ų | 93.9 | 54% | 0.539 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -45.9 | 175.4 | -75.4 | 176.4 | 179.8 | -178.3 | 0 | 111.5 | L43 E44 L49 C50 E51 | L43-K47 WeakPolarHBondContact O-CG 3.33Å; L43-K47 PolarHBondContact O-N 3.12Å; L43-K47 VanDerWaalsContact O-N 3.13Å; E44-K47 PolarHBondContact O-N 3.34Å; K47-L49 VanDerWaalsContact C-N 3.32Å; K47-L49 PolarHBondContact O-N 3.28Å; K47-C50 WeakPolarHBondContact O-CB 3.4Å; K47-C50 PolarHBondContact O-N 3.46Å; K47-C50 VanDerWaalsContact O-N 3.14Å; K47-E51 PolarHBondContact O-N 3.35Å |
| 48 | A | 95.6 | Very high | 94.7 | Very high | 47 Ų | 47 | 94.2 Ų | 94.2 | 39% | 0.388 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.9 | -44 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | E44 E45 C50 E51 D52 | E44-A48 PolarHBondContact O-N 3.49Å; E45-A48 PolarHBondContact O-N 3.03Å; A48-C50 VanDerWaalsContact C-N 3.33Å; A48-C50 PolarHBondContact O-N 3.25Å; A48-E51 PolarHBondContact O-N 3.27Å; A48-D52 WeakPolarHBondContact O-CB 3.38Å; A48-D52 PolarHBondContact O-N 3.42Å |
| 49 | L | 94.5 | Very high | 95.2 | Very high | 37 Ų | 37 | 93.6 Ų | 93.6 | 19% | 0.194 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -60.2 | -40.8 | 175.3 | 179.3 | 63.2 | 0 | 0 | 0 | 112.3 | L41 E45 L46 K47 D52 L53 | L41-L49 HydrophobicContact CD1-CD2 3.9Å; E45-L49 WeakPolarHBondContact O-CB 3.32Å; E45-L49 PolarHBondContact O-N 3.42Å; L46-L49 PolarHBondContact O-N 3.3Å; K47-L49 VanDerWaalsContact C-N 3.32Å; K47-L49 PolarHBondContact O-N 3.28Å; L49-D52 PolarHBondContact O-N 3.02Å; L49-L53 HydrophobicContact CD1-CD1 4.18Å; L49-L53 HydrophobicContact CD1-CG 4.16Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 2.96Å |
| 50 | C | 95.3 | Very high | 95.5 | Very high | 76 Ų | 76 | 91.8 Ų | 91.8 | 51% | 0.514 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -41.8 | 176.7 | -72.3 | 0 | 0 | 0 | 0 | 112.5 | L46 K47 A48 H54 | L46-C50 PolarHBondContact O-N 2.85Å; L46-C50 PolarHBondContact O-SG 2.99Å; L46-C50 VanDerWaalsContact O-SG 3.33Å; K47-C50 WeakPolarHBondContact O-CB 3.4Å; K47-C50 PolarHBondContact O-N 3.46Å; K47-C50 VanDerWaalsContact O-N 3.14Å; A48-C50 VanDerWaalsContact C-N 3.33Å; A48-C50 PolarHBondContact O-N 3.25Å; C50-H54 WeakPolarHBondContact O-CB 3.41Å; C50-H54 PolarHBondContact O-N 2.9Å |
| 51 | E | 96.8 | Very high | 96 | Very high | 136 Ų | 136 | 91.4 Ų | 91.4 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65.4 | -41.9 | 176.8 | -70.3 | 176.9 | -179.9 | 0 | 0 | 111.7 | K47 A48 H54 S55 | K47-E51 PolarHBondContact O-N 3.35Å; A48-E51 PolarHBondContact O-N 3.27Å; E51-H54 PolarHBondContact O-N 3.44Å; E51-S55 PolarHBondContact O-N 3.39Å; E51-S55 PolarHBondContact O-OG 2.93Å |
| 52 | D | 94.9 | Very high | 96.2 | Very high | 93 Ų | 93 | 94.7 Ų | 94.7 | 50% | 0.497 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.3 | -46 | 175.5 | -79.9 | -5.4 | 0 | 0 | 0 | 112.1 | A48 L49 H54 S55 K56 | A48-D52 WeakPolarHBondContact O-CB 3.38Å; A48-D52 PolarHBondContact O-N 3.42Å; L49-D52 PolarHBondContact O-N 3.02Å; D52-H54 VanDerWaalsContact C-N 3.33Å; D52-S55 PolarHBondContact O-N 3.5Å; D52-K56 WeakPolarHBondContact O-CG 3.28Å; D52-K56 PolarHBondContact O-N 3.41Å |
| 53 | L | 95.3 | Very high | 96.4 | Very high | 74 Ų | 74 | 97.5 Ų | 97.5 | 39% | 0.387 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -40.8 | 177.8 | -75 | 173.9 | 0 | 0 | 0 | 111.3 | L49 K56 I57 | L49-L53 HydrophobicContact CD1-CD1 4.18Å; L49-L53 HydrophobicContact CD1-CG 4.16Å; L49-L53 HydrophobicContact CG-CD1 4.04Å; L49-L53 HydrophobicContact CG-CG 4.43Å; L49-L53 WeakPolarHBondContact O-CB 3.47Å; L49-L53 VanDerWaalsContact O-CG 3.25Å; L49-L53 WeakPolarHBondContact O-CG 3.4Å; L49-L53 PolarHBondContact O-N 2.96Å; L53-K56 PolarHBondContact O-N 2.83Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3.29Å |
| 54 | H | 97.1 | Very high | 96.6 | Very high | 116 Ų | 116 | 97.5 Ų | 97.5 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 176.7 | -174.7 | 8.2 | 0 | 0 | 0 | 111.5 | C50 E51 D52 K56 I57 D58 | C50-H54 WeakPolarHBondContact O-CB 3.41Å; C50-H54 PolarHBondContact O-N 2.9Å; E51-H54 PolarHBondContact O-N 3.44Å; D52-H54 VanDerWaalsContact C-N 3.33Å; H54-K56 VanDerWaalsContact C-N 3.29Å; H54-K56 PolarHBondContact O-N 3.01Å; H54-I57 WeakPolarHBondContact O-CB 3.23Å; H54-I57 PolarHBondContact O-N 3Å; H54-I57 VanDerWaalsContact O-N 3.16Å; H54-D58 IonicContact CE1-OD1 2.67Å; H54-D58 IonicContact CE1-OD2 3.7Å; H54-D58 IonicContact ND1-OD1 2.65Å; H54-D58 PolarHBondContact O-N 3.23Å |
| 55 | S | 97.6 | Very high | 96.7 | Very high | 72 Ų | 72 | 96.9 Ų | 96.9 | 50% | 0.503 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 178.2 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | E51 D52 D58 V59 | E51-S55 PolarHBondContact O-N 3.39Å; E51-S55 PolarHBondContact O-OG 2.93Å; D52-S55 PolarHBondContact O-N 3.5Å; S55-D58 PolarHBondContact O-N 3.1Å; S55-V59 PolarHBondContact O-N 2.96Å |
| 56 | K | 96.3 | Very high | 96.9 | Very high | 128 Ų | 128 | 95.9 Ų | 95.9 | 56% | 0.557 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -65.9 | -36.5 | 175.5 | -75.2 | 172.2 | -177.2 | 171.6 | 0 | 112.8 | D52 L53 H54 D58 V59 V60 | D52-K56 WeakPolarHBondContact O-CG 3.28Å; D52-K56 PolarHBondContact O-N 3.41Å; L53-K56 PolarHBondContact O-N 2.83Å; H54-K56 VanDerWaalsContact C-N 3.29Å; H54-K56 PolarHBondContact O-N 3.01Å; K56-D58 VanDerWaalsContact C-N 3.3Å; K56-D58 PolarHBondContact O-N 3.16Å; K56-V59 PolarHBondContact O-N 3.32Å; K56-V60 WeakPolarHBondContact O-CB 3.21Å; K56-V60 VanDerWaalsContact O-CG2 3.3Å; K56-V60 WeakPolarHBondContact O-CG2 3.41Å; K56-V60 PolarHBondContact O-N 3.02Å |
| 57 | I | 97.1 | Very high | 97 | Very high | 107 Ų | 107 | 97.4 Ų | 97.4 | 55% | 0.549 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.9 | -44.1 | 178 | -73.2 | 163.6 | 0 | 0 | 0 | 110.3 | L53 H54 V59 V60 D61 | L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.48Å; L53-I57 PolarHBondContact O-N 3.29Å; H54-I57 WeakPolarHBondContact O-CB 3.23Å; H54-I57 PolarHBondContact O-N 3Å; H54-I57 VanDerWaalsContact O-N 3.16Å; I57-V59 PolarHBondContact O-N 3.17Å; I57-V60 PolarHBondContact O-N 3.49Å; I57-D61 WeakPolarHBondContact O-CB 3.41Å; I57-D61 PolarHBondContact O-N 2.85Å |
| 58 | D | 98 | Very high | 97.1 | Very high | 97 Ų | 97 | 96.7 Ų | 96.7 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.4 | -45.8 | -179 | -65.5 | -17.3 | 0 | 0 | 0 | 111.4 | H54 S55 K56 D61 E62 | H54-D58 IonicContact CE1-OD1 2.67Å; H54-D58 IonicContact CE1-OD2 3.7Å; H54-D58 IonicContact ND1-OD1 2.65Å; H54-D58 PolarHBondContact O-N 3.23Å; S55-D58 PolarHBondContact O-N 3.1Å; K56-D58 VanDerWaalsContact C-N 3.3Å; K56-D58 PolarHBondContact O-N 3.16Å; D58-D61 PolarHBondContact O-N 3.44Å; D58-E62 PolarHBondContact O-N 3.44Å; D58-E62 VanDerWaalsContact O-N 3.1Å |
| 59 | V | 97.9 | Very high | 97.3 | Very high | 77 Ų | 77 | 96.7 Ų | 96.7 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 176.9 | 177.4 | 0 | 0 | 0 | 0 | 111.5 | S55 K56 I57 D61 E62 E63 | S55-V59 PolarHBondContact O-N 2.96Å; K56-V59 PolarHBondContact O-N 3.32Å; I57-V59 PolarHBondContact O-N 3.17Å; V59-D61 VanDerWaalsContact C-N 3.33Å; V59-D61 PolarHBondContact O-N 2.99Å; V59-E62 PolarHBondContact O-N 2.92Å; V59-E63 WeakPolarHBondContact O-CG 3.35Å; V59-E63 PolarHBondContact O-N 2.94Å |
| 60 | V | 97.7 | Very high | 97.5 | Very high | 87 Ų | 87 | 101.5 Ų | 101.5 | 53% | 0.527 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.5 | -34.3 | -178.3 | 171.1 | 0 | 0 | 0 | 0 | 111.6 | K56 I57 E63 R64 | K56-V60 WeakPolarHBondContact O-CB 3.21Å; K56-V60 VanDerWaalsContact O-CG2 3.3Å; K56-V60 WeakPolarHBondContact O-CG2 3.41Å; K56-V60 PolarHBondContact O-N 3.02Å; I57-V60 PolarHBondContact O-N 3.49Å; V60-E63 PolarHBondContact O-N 3.22Å; V60-R64 VanDerWaalsContact O-CB 3.28Å; V60-R64 WeakPolarHBondContact O-CB 3.37Å; V60-R64 PolarHBondContact O-N 2.93Å |
| 61 | D | 98.3 | Very high | 97.6 | Very high | 79 Ų | 79 | 101.4 Ų | 101.4 | 42% | 0.422 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.5 | -36.2 | 176.4 | -164.9 | 53.9 | 0 | 0 | 0 | 111.9 | I57 D58 V59 R64 Y65 | I57-D61 WeakPolarHBondContact O-CB 3.41Å; I57-D61 PolarHBondContact O-N 2.85Å; D58-D61 PolarHBondContact O-N 3.44Å; V59-D61 VanDerWaalsContact C-N 3.33Å; V59-D61 PolarHBondContact O-N 2.99Å; D61-R64 WeakPolarHBondContact O-CB 3.39Å; D61-R64 PolarHBondContact O-N 3.44Å; D61-R64 IonicContact OD1-CZ 3.97Å; D61-R64 VanDerWaalsContact OD1-CZ 3.26Å; D61-R64 IonicContact OD1-NE 3.26Å; D61-R64 PolarHBondContact OD1-NE 2.9Å; D61-R64 IonicContact OD1-NH2 3.99Å; D61-R64 PolarHBondContact OD1-NH2 3.44Å; D61-R64 IonicContact OD2-NH2 2.58Å; D61-Y65 WeakPolarHBondContact O-CB 3.41Å; D61-Y65 PolarHBondContact O-N 3.31Å |
| 62 | E | 98.1 | Very high | 97.7 | Very high | 133 Ų | 133 | 98.8 Ų | 98.8 | 62% | 0.621 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.5 | -49.6 | 170.7 | -174.6 | 177.7 | -176.3 | 0 | 0 | 111.2 | D58 V59 R64 Y65 D66 | D58-E62 PolarHBondContact O-N 3.44Å; D58-E62 VanDerWaalsContact O-N 3.1Å; V59-E62 PolarHBondContact O-N 2.92Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3.41Å; E62-Y65 WeakPolarHBondContact O-CB 3.27Å; E62-Y65 PolarHBondContact O-N 3.36Å; E62-Y65 VanDerWaalsContact O-N 3.16Å; E62-D66 PolarHBondContact O-N 3.46Å |
| 63 | E | 98 | Very high | 97.9 | Very high | 113 Ų | 113 | 99.8 Ų | 99.8 | 53% | 0.528 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.6 | -41.3 | 175.8 | -70.5 | -179.6 | 173.3 | 0 | 0 | 112.1 | V59 V60 Y65 D66 I67 | V59-E63 WeakPolarHBondContact O-CG 3.35Å; V59-E63 PolarHBondContact O-N 2.94Å; V60-E63 PolarHBondContact O-N 3.22Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-Y65 PolarHBondContact O-N 3.47Å; E63-D66 PolarHBondContact O-N 3.08Å; E63-I67 VanDerWaalsContact O-CG1 3.27Å; E63-I67 WeakPolarHBondContact O-CG1 3.24Å; E63-I67 PolarHBondContact O-N 2.97Å |
| 64 | R | 98.4 | Very high | 98 | Very high | 120 Ų | 120 | 100.3 Ų | 100.3 | 45% | 0.453 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 176.2 | -174.3 | -166.1 | 66.6 | 69.3 | 4.7 | 110.8 | V60 D61 E62 I67 E68 | V60-R64 VanDerWaalsContact O-CB 3.28Å; V60-R64 WeakPolarHBondContact O-CB 3.37Å; V60-R64 PolarHBondContact O-N 2.93Å; D61-R64 WeakPolarHBondContact O-CB 3.39Å; D61-R64 PolarHBondContact O-N 3.44Å; D61-R64 IonicContact OD1-CZ 3.97Å; D61-R64 VanDerWaalsContact OD1-CZ 3.26Å; D61-R64 IonicContact OD1-NE 3.26Å; D61-R64 PolarHBondContact OD1-NE 2.9Å; D61-R64 IonicContact OD1-NH2 3.99Å; D61-R64 PolarHBondContact OD1-NH2 3.44Å; D61-R64 IonicContact OD2-NH2 2.58Å; E62-R64 VanDerWaalsContact C-N 3.3Å; E62-R64 PolarHBondContact O-N 3.41Å; R64-I67 PolarHBondContact O-N 3.4Å; R64-E68 IonicContact CZ-OE2 3.87Å; R64-E68 IonicContact NH1-OE2 3.87Å; R64-E68 PolarHBondContact NH1-OE2 3.28Å; R64-E68 WeakPolarHBondContact O-CB 3.3Å; R64-E68 PolarHBondContact O-N 3.06Å |
| 65 | Y | 98.3 | Very high | 98.1 | Very high | 149 Ų | 149 | 99.2 Ų | 99.2 | 58% | 0.584 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -60.8 | -45.3 | 178.2 | 177.9 | -94.2 | 0 | 0 | 0 | 111.5 | D61 E62 E63 I67 E68 A69 | D61-Y65 WeakPolarHBondContact O-CB 3.41Å; D61-Y65 PolarHBondContact O-N 3.31Å; E62-Y65 WeakPolarHBondContact O-CB 3.27Å; E62-Y65 PolarHBondContact O-N 3.36Å; E62-Y65 VanDerWaalsContact O-N 3.16Å; E63-Y65 VanDerWaalsContact C-N 3.34Å; E63-Y65 PolarHBondContact O-N 3.47Å; Y65-I67 PolarHBondContact O-N 2.84Å; Y65-E68 PolarHBondContact O-N 3.22Å; Y65-A69 WeakPolarHBondContact O-CB 3.35Å; Y65-A69 PolarHBondContact O-N 2.88Å |
| 66 | D | 98.4 | Very high | 98.1 | Very high | 80 Ų | 80 | 103 Ų | 103 | 43% | 0.428 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.2 | -41.7 | 177.6 | -86.6 | -4.5 | 0 | 0 | 0 | 112.8 | E62 E63 A69 K70 | E62-D66 PolarHBondContact O-N 3.46Å; E63-D66 PolarHBondContact O-N 3.08Å; D66-A69 PolarHBondContact O-N 2.9Å; D66-K70 WeakPolarHBondContact O-CG 3.32Å; D66-K70 PolarHBondContact O-N 3.37Å; D66-K70 VanDerWaalsContact O-N 3.1Å |
| 67 | I | 98.3 | Very high | 98.2 | Very high | 101 Ų | 101 | 101.7 Ų | 101.7 | 52% | 0.518 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 175.4 | -68.4 | 165.9 | 0 | 0 | 0 | 110.2 | E63 R64 Y65 A69 K70 V71 | E63-I67 VanDerWaalsContact O-CG1 3.27Å; E63-I67 WeakPolarHBondContact O-CG1 3.24Å; E63-I67 PolarHBondContact O-N 2.97Å; R64-I67 PolarHBondContact O-N 3.4Å; Y65-I67 PolarHBondContact O-N 2.84Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-A69 PolarHBondContact O-N 3.15Å; I67-K70 PolarHBondContact O-N 2.97Å; I67-V71 WeakPolarHBondContact O-CG2 3.26Å; I67-V71 PolarHBondContact O-N 2.9Å |
| 68 | E | 98.3 | Very high | 98.2 | Very high | 108 Ų | 108 | 100.9 Ų | 100.9 | 51% | 0.505 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 177.4 | -176.7 | 171.5 | -167.2 | 0 | 0 | 111.5 | R64 Y65 K70 V71 L72 | R64-E68 IonicContact CZ-OE2 3.87Å; R64-E68 IonicContact NH1-OE2 3.87Å; R64-E68 PolarHBondContact NH1-OE2 3.28Å; R64-E68 WeakPolarHBondContact O-CB 3.3Å; R64-E68 PolarHBondContact O-N 3.06Å; Y65-E68 PolarHBondContact O-N 3.22Å; E68-K70 VanDerWaalsContact C-N 3.35Å; E68-K70 PolarHBondContact O-N 3.02Å; E68-V71 PolarHBondContact O-N 3.3Å; E68-L72 WeakPolarHBondContact O-CB 3.41Å; E68-L72 PolarHBondContact O-N 3.02Å |
| 69 | A | 98.4 | Very high | 98.2 | Very high | 47 Ų | 47 | 102.9 Ų | 102.9 | 39% | 0.388 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -42.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y65 D66 I67 L72 H73 | Y65-A69 WeakPolarHBondContact O-CB 3.35Å; Y65-A69 PolarHBondContact O-N 2.88Å; D66-A69 PolarHBondContact O-N 2.9Å; I67-A69 VanDerWaalsContact C-N 3.34Å; I67-A69 PolarHBondContact O-N 3.15Å; A69-L72 PolarHBondContact O-N 3.02Å; A69-H73 PolarHBondContact O-N 3.31Å |
| 70 | K | 98.6 | Very high | 98.1 | Very high | 138 Ų | 138 | 103.4 Ų | 103.4 | 60% | 0.6 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.7 | -44.4 | 174.9 | -70.9 | 167.8 | -175.4 | 165.7 | 0 | 111.8 | D66 I67 E68 L72 H73 N74 | D66-K70 WeakPolarHBondContact O-CG 3.32Å; D66-K70 PolarHBondContact O-N 3.37Å; D66-K70 VanDerWaalsContact O-N 3.1Å; I67-K70 PolarHBondContact O-N 2.97Å; E68-K70 VanDerWaalsContact C-N 3.35Å; E68-K70 PolarHBondContact O-N 3.02Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 3.22Å; K70-H73 WeakPolarHBondContact O-CB 3.19Å; K70-H73 PolarHBondContact O-N 3.32Å; K70-N74 PolarHBondContact O-N 2.96Å; K70-N74 PolarHBondContact O-OD1 3.15Å |
| 71 | V | 98.5 | Very high | 98.1 | Very high | 74 Ų | 74 | 103.2 Ų | 103.2 | 45% | 0.448 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 176.2 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | I67 E68 H73 N74 N75 | I67-V71 WeakPolarHBondContact O-CG2 3.26Å; I67-V71 PolarHBondContact O-N 2.9Å; E68-V71 PolarHBondContact O-N 3.3Å; V71-H73 VanDerWaalsContact C-N 3.34Å; V71-H73 PolarHBondContact O-N 3.32Å; V71-N74 PolarHBondContact O-N 2.94Å; V71-N75 WeakPolarHBondContact O-CB 3.48Å; V71-N75 VanDerWaalsContact O-CG 3.28Å; V71-N75 PolarHBondContact O-N 3.41Å; V71-N75 PolarHBondContact O-ND2 2.67Å |
| 72 | L | 98.3 | Very high | 97.9 | Very high | 81 Ų | 81 | 103.8 Ų | 103.8 | 42% | 0.424 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.8 | -40 | 177.3 | -176.9 | 61.3 | 0 | 0 | 0 | 112 | E68 A69 K70 N75 R76 | E68-L72 WeakPolarHBondContact O-CB 3.41Å; E68-L72 PolarHBondContact O-N 3.02Å; A69-L72 PolarHBondContact O-N 3.02Å; K70-L72 VanDerWaalsContact C-N 3.33Å; K70-L72 PolarHBondContact O-N 3.22Å; L72-N75 PolarHBondContact O-N 2.95Å; L72-R76 VanDerWaalsContact CD2-NH2 3.34Å; L72-R76 WeakPolarHBondContact O-CG 3.32Å; L72-R76 PolarHBondContact O-N 3.05Å |
| 73 | H | 98.3 | Very high | 97.6 | Very high | 115 Ų | 115 | 101.2 Ų | 101.2 | 53% | 0.532 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.1 | -52 | 173.8 | -177.5 | 76.9 | 0 | 0 | 0 | 111.2 | A69 K70 V71 N75 R76 E77 | A69-H73 PolarHBondContact O-N 3.31Å; K70-H73 WeakPolarHBondContact O-CB 3.19Å; K70-H73 PolarHBondContact O-N 3.32Å; V71-H73 VanDerWaalsContact C-N 3.34Å; V71-H73 PolarHBondContact O-N 3.32Å; H73-N75 VanDerWaalsContact C-N 3.3Å; H73-N75 PolarHBondContact O-N 3.45Å; H73-R76 WeakPolarHBondContact O-CB 3.26Å; H73-R76 PolarHBondContact O-N 2.9Å; H73-R76 VanDerWaalsContact O-N 3.12Å; H73-E77 PolarHBondContact O-N 2.87Å |
| 74 | N | 98.4 | Very high | 97.3 | Very high | 85 Ų | 85 | 101.8 Ų | 101.8 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -59.8 | -41.1 | 178.6 | -66 | -4.7 | 0 | 0 | 0 | 111.7 | K70 V71 R76 E77 I78 | K70-N74 PolarHBondContact O-N 2.96Å; K70-N74 PolarHBondContact O-OD1 3.15Å; V71-N74 PolarHBondContact O-N 2.94Å; N74-R76 VanDerWaalsContact C-N 3.34Å; N74-R76 PolarHBondContact O-N 3.18Å; N74-E77 PolarHBondContact O-N 2.75Å; N74-I78 WeakPolarHBondContact O-CB 3.32Å; N74-I78 VanDerWaalsContact O-CG1 3.23Å; N74-I78 WeakPolarHBondContact O-CG1 3.41Å; N74-I78 PolarHBondContact O-N 2.94Å |
| 75 | N | 98.3 | Very high | 96.9 | Very high | 92 Ų | 92 | 99.9 Ų | 99.9 | 49% | 0.492 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -38.8 | 177.2 | -77.7 | -30.3 | 0 | 0 | 0 | 112.7 | V71 L72 H73 K79 | V71-N75 WeakPolarHBondContact O-CB 3.48Å; V71-N75 VanDerWaalsContact O-CG 3.28Å; V71-N75 PolarHBondContact O-N 3.41Å; V71-N75 PolarHBondContact O-ND2 2.67Å; L72-N75 PolarHBondContact O-N 2.95Å; H73-N75 VanDerWaalsContact C-N 3.3Å; H73-N75 PolarHBondContact O-N 3.45Å; N75-K79 WeakPolarHBondContact O-CB 3.43Å; N75-K79 PolarHBondContact O-N 3.03Å |
| 76 | R | 98.2 | Very high | 96.4 | Very high | 151 Ų | 151 | 96.2 Ų | 96.2 | 57% | 0.57 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.8 | -46.9 | 174.7 | -71.5 | 171.6 | -174 | 172.4 | 2.6 | 110.6 | L72 H73 N74 I78 K79 D80 | L72-R76 VanDerWaalsContact CD2-NH2 3.34Å; L72-R76 WeakPolarHBondContact O-CG 3.32Å; L72-R76 PolarHBondContact O-N 3.05Å; H73-R76 WeakPolarHBondContact O-CB 3.26Å; H73-R76 PolarHBondContact O-N 2.9Å; H73-R76 VanDerWaalsContact O-N 3.12Å; N74-R76 VanDerWaalsContact C-N 3.34Å; N74-R76 PolarHBondContact O-N 3.18Å; R76-I78 PolarHBondContact O-N 2.73Å; R76-K79 WeakPolarHBondContact O-CB 3.44Å; R76-K79 PolarHBondContact O-N 3.42Å; R76-D80 PolarHBondContact O-N 3.22Å |
| 77 | E | 98.1 | Very high | 95.9 | Very high | 102 Ų | 102 | 98.1 Ų | 98.1 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.5 | -46.4 | 178.4 | -172.1 | 177.1 | -169.2 | 0 | 0 | 111.8 | H73 N74 K79 D80 L81 | H73-E77 PolarHBondContact O-N 2.87Å; N74-E77 PolarHBondContact O-N 2.75Å; E77-K79 VanDerWaalsContact C-N 3.27Å; E77-K79 PolarHBondContact O-N 2.95Å; E77-D80 PolarHBondContact O-N 2.98Å; E77-D80 VanDerWaalsContact O-N 3.16Å; E77-L81 HydrophobicContact CG-CD1 4.02Å; E77-L81 HydrophobicContact CG-CG 4.33Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.43Å; E77-L81 PolarHBondContact O-N 2.65Å |
| 78 | I | 98 | Very high | 95.2 | Very high | 90 Ų | 90 | 100.5 Ų | 100.5 | 46% | 0.462 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 175.2 | -71.3 | 166.2 | 0 | 0 | 0 | 110.9 | N74 R76 N82 | N74-I78 WeakPolarHBondContact O-CB 3.32Å; N74-I78 VanDerWaalsContact O-CG1 3.23Å; N74-I78 WeakPolarHBondContact O-CG1 3.41Å; N74-I78 PolarHBondContact O-N 2.94Å; R76-I78 PolarHBondContact O-N 2.73Å; I78-N82 WeakPolarHBondContact CG2-ND2 3.34Å; I78-N82 WeakPolarHBondContact O-CB 3.35Å; I78-N82 VanDerWaalsContact O-CG 3.29Å; I78-N82 PolarHBondContact O-N 2.91Å; I78-N82 PolarHBondContact O-ND2 2.82Å |
| 79 | K | 97.1 | Very high | 94.3 | Very high | 138 Ų | 138 | 104 Ų | 104 | 60% | 0.6 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.1 | -46 | 177.2 | -176.6 | -177.5 | 177.1 | -175.5 | 0 | 111.3 | N75 R76 E77 N82 I83 | N75-K79 WeakPolarHBondContact O-CB 3.43Å; N75-K79 PolarHBondContact O-N 3.03Å; R76-K79 WeakPolarHBondContact O-CB 3.44Å; R76-K79 PolarHBondContact O-N 3.42Å; E77-K79 VanDerWaalsContact C-N 3.27Å; E77-K79 PolarHBondContact O-N 2.95Å; K79-N82 PolarHBondContact O-N 2.76Å; K79-I83 HydrophobicContact CG-CD1 4.43Å; K79-I83 WeakPolarHBondContact O-CG1 3.47Å; K79-I83 PolarHBondContact O-N 3.16Å |
| 80 | D | 96.8 | Very high | 92.9 | Very high | 89 Ų | 89 | 103.5 Ų | 103.5 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 179.6 | -69.5 | -12 | 0 | 0 | 0 | 111.4 | R76 E77 I83 K84 | R76-D80 PolarHBondContact O-N 3.22Å; E77-D80 PolarHBondContact O-N 2.98Å; E77-D80 VanDerWaalsContact O-N 3.16Å; D80-I83 PolarHBondContact O-N 3.4Å; D80-K84 WeakPolarHBondContact O-CG 3.42Å; D80-K84 PolarHBondContact O-N 3.34Å |
| 81 | L | 96.8 | Very high | 91.1 | Very high | 83 Ų | 83 | 106.7 Ų | 106.7 | 44% | 0.435 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.5 | -42.5 | 173.9 | -70.8 | 174.2 | 0 | 0 | 0 | 111.6 | E77 I83 K84 V85 | E77-L81 HydrophobicContact CG-CD1 4.02Å; E77-L81 HydrophobicContact CG-CG 4.33Å; E77-L81 WeakPolarHBondContact O-CB 3.47Å; E77-L81 VanDerWaalsContact O-CG 3.28Å; E77-L81 WeakPolarHBondContact O-CG 3.43Å; E77-L81 PolarHBondContact O-N 2.65Å; L81-I83 VanDerWaalsContact C-N 3.31Å; L81-I83 PolarHBondContact O-N 2.58Å; L81-K84 PolarHBondContact O-N 2.88Å; L81-V85 VanDerWaalsContact O-CG2 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.11Å; L81-V85 PolarHBondContact O-N 3.46Å |
| 82 | N | 93.9 | Very high | 89.2 | Confident | 91 Ų | 91 | 112 Ų | 112 | 49% | 0.487 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -39.7 | 175.9 | -83.2 | -49.8 | 0 | 0 | 0 | 112.2 | I78 K79 V85 L86 | I78-N82 WeakPolarHBondContact CG2-ND2 3.34Å; I78-N82 WeakPolarHBondContact O-CB 3.35Å; I78-N82 VanDerWaalsContact O-CG 3.29Å; I78-N82 PolarHBondContact O-N 2.91Å; I78-N82 PolarHBondContact O-ND2 2.82Å; K79-N82 PolarHBondContact O-N 2.76Å; N82-V85 PolarHBondContact O-N 3.11Å; N82-L86 VanDerWaalsContact O-CG 3.27Å; N82-L86 WeakPolarHBondContact O-CG 3.36Å; N82-L86 PolarHBondContact O-N 3.11Å |
| 83 | I | 92 | Very high | 87.5 | Confident | 79 Ų | 79 | 117 Ų | 117 | 41% | 0.405 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.7 | -49.3 | 174.5 | -66.8 | 165.4 | 0 | 0 | 0 | 109.9 | K79 D80 L81 V85 L86 D87 | K79-I83 HydrophobicContact CG-CD1 4.43Å; K79-I83 WeakPolarHBondContact O-CG1 3.47Å; K79-I83 PolarHBondContact O-N 3.16Å; D80-I83 PolarHBondContact O-N 3.4Å; L81-I83 VanDerWaalsContact C-N 3.31Å; L81-I83 PolarHBondContact O-N 2.58Å; I83-V85 VanDerWaalsContact C-N 3.33Å; I83-V85 PolarHBondContact O-N 3.21Å; I83-L86 WeakPolarHBondContact O-CB 3.46Å; I83-L86 PolarHBondContact O-N 3.07Å; I83-L86 VanDerWaalsContact O-N 3.08Å; I83-D87 PolarHBondContact O-N 3.4Å |
| 84 | K | 92.1 | Very high | 85.7 | Confident | 125 Ų | 125 | 120.8 Ų | 120.8 | 54% | 0.543 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58 | -43.6 | 177.4 | -70 | 172.3 | -177.2 | 174.4 | 0 | 112.2 | D80 L81 L86 D87 L88 | D80-K84 WeakPolarHBondContact O-CG 3.42Å; D80-K84 PolarHBondContact O-N 3.34Å; L81-K84 PolarHBondContact O-N 2.88Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.26Å; K84-D87 PolarHBondContact O-N 3.01Å; K84-L88 WeakPolarHBondContact O-CB 3.47Å; K84-L88 VanDerWaalsContact O-CG 3.24Å; K84-L88 WeakPolarHBondContact O-CG 3.47Å; K84-L88 PolarHBondContact O-N 3.34Å |
| 85 | V | 90.9 | Very high | 84.2 | Confident | 79 Ų | 79 | 122.1 Ų | 122.1 | 48% | 0.479 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -61.2 | -40.9 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | L81 N82 I83 R89 | L81-V85 VanDerWaalsContact O-CG2 3.3Å; L81-V85 WeakPolarHBondContact O-CG2 3.11Å; L81-V85 PolarHBondContact O-N 3.46Å; N82-V85 PolarHBondContact O-N 3.11Å; I83-V85 VanDerWaalsContact C-N 3.33Å; I83-V85 PolarHBondContact O-N 3.21Å; V85-R89 VanDerWaalsContact O-CB 3.26Å; V85-R89 WeakPolarHBondContact O-CB 3.39Å; V85-R89 PolarHBondContact O-N 3.22Å |
| 86 | L | 87.3 | Confident | 82.8 | Confident | 72 Ų | 72 | 124.7 Ų | 124.7 | 38% | 0.377 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -64.3 | -42.8 | 176.4 | -73.1 | 170.6 | 0 | 0 | 0 | 112.2 | N82 I83 K84 | N82-L86 VanDerWaalsContact O-CG 3.27Å; N82-L86 WeakPolarHBondContact O-CG 3.36Å; N82-L86 PolarHBondContact O-N 3.11Å; I83-L86 WeakPolarHBondContact O-CB 3.46Å; I83-L86 PolarHBondContact O-N 3.07Å; I83-L86 VanDerWaalsContact O-N 3.08Å; K84-L86 VanDerWaalsContact C-N 3.31Å; K84-L86 PolarHBondContact O-N 3.26Å |
| 87 | D | 86.7 | Confident | 81.3 | Confident | 120 Ų | 120 | 125.7 Ų | 125.7 | 64% | 0.642 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -66.8 | -42.1 | 178.8 | -68.6 | -23.6 | 0 | 0 | 0 | 111.5 | I83 K84 G90 | I83-D87 PolarHBondContact O-N 3.4Å; K84-D87 PolarHBondContact O-N 3.01Å; D87-G90 PolarHBondContact O-N 2.94Å |
| 88 | L | 85.2 | Confident | 80.1 | Confident | 151 Ų | 151 | 131.4 Ų | 131.4 | 79% | 0.791 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.9 | -36.1 | 178.3 | -72 | 173.9 | 0 | 0 | 0 | 113.4 | K84 G90 | K84-L88 WeakPolarHBondContact O-CB 3.47Å; K84-L88 VanDerWaalsContact O-CG 3.24Å; K84-L88 WeakPolarHBondContact O-CG 3.47Å; K84-L88 PolarHBondContact O-N 3.34Å; L88-G90 PolarHBondContact O-N 3.16Å |
| 89 | R | 77.8 | Confident | 79 | Confident | 183 Ų | 183 | 138.1 Ų | 138.1 | 69% | 0.691 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -4.5 | 175.2 | -166.9 | 165.7 | 65.5 | -178 | 0.5 | 112.5 | V85 | V85-R89 VanDerWaalsContact O-CB 3.26Å; V85-R89 WeakPolarHBondContact O-CB 3.39Å; V85-R89 PolarHBondContact O-N 3.22Å |
| 90 | G | 69.3 | Low | 77.8 | Confident | 36 Ų | 36 | 137.9 Ų | 137.9 | 37% | 0.371 | 66% | 0.661 | S | S | . | * | trans | 86.6 | 151.6 | -180 | 0 | 0 | 0 | 0 | 0 | 111.5 | D87 L88 F92 | D87-G90 PolarHBondContact O-N 2.94Å; L88-G90 PolarHBondContact O-N 3.16Å; G90-F92 PolarHBondContact O-N 3.23Å | ||
| 91 | K | 62.3 | Low | 76.9 | Confident | 205 Ų | 205 | 143.8 Ų | 143.8 | 89% | 0.891 | 68% | 0.676 | S | S | * | * | trans | -68.1 | 71.2 | 177.9 | -163.5 | 179.2 | -171.1 | 174.4 | 0 | 110.4 | K93 | K91-K93 PolarHBondContact O-N 3.39Š| ||
| 92 | F | 58.5 | Low | 76.1 | Confident | 186 Ų | 186 | 144.5 Ų | 144.5 | 82% | 0.816 | 68% | 0.684 | S | S | * | * | trans | -50.5 | 112.9 | 154.3 | -118.4 | -91 | 0 | 0 | 0 | 104.5 | G90 R94 | G90-F92 PolarHBondContact O-N 3.23Å; F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.04Å | ||
| 93 | K | 61.2 | Low | 75.2 | Confident | 184 Ų | 184 | 143.5 Ų | 143.5 | 80% | 0.8 | 68% | 0.684 | S | S | * | * | trans | -54.9 | 105.4 | 174.4 | -76.8 | -165.6 | -179.4 | -175.6 | 0 | 105 | K91 P95 | K91-K93 PolarHBondContact O-N 3.39Å; K93-P95 WeakPolarHBondContact O-CD 3.43Å | ||
| 94 | R | 60.6 | Low | 74.2 | Confident | 196 Ų | 196 | 142.6 Ų | 142.6 | 74% | 0.74 | 69% | 0.688 | S | S | * | * | trans | -49.7 | 114.6 | 167.8 | -86.3 | -173.9 | 175 | -162.3 | -0.6 | 104.1 | F92 N96 | F92-R94 VanDerWaalsContact C-N 3.31Å; F92-R94 PolarHBondContact O-N 3.04Å; R94-N96 PolarHBondContact O-N 3.03Å; R94-N96 VanDerWaalsContact O-N 3.11Å | ||
| 95 | P | 67 | Low | 73 | Confident | 112 Ų | 112 | 139 Ų | 139 | 73% | 0.727 | 68% | 0.675 | S | S | * | * | trans | -51.9 | 128.5 | 175.7 | -24.5 | 34.3 | 0 | 0 | 0 | 106.3 | K93 L97 | K93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-L97 PolarHBondContact O-N 3.2Å; P95-L97 VanDerWaalsContact O-N 3.16Å | ||
| 96 | N | 68.8 | Low | 72.2 | Confident | 147 Ų | 147 | 137.2 Ų | 137.2 | 79% | 0.786 | 67% | 0.668 | S | S | * | * | trans | -45.1 | 129.3 | -176.3 | -68.6 | -6.1 | 0 | 0 | 0 | 108.8 | R94 R98 | R94-N96 PolarHBondContact O-N 3.03Å; R94-N96 VanDerWaalsContact O-N 3.11Å; N96-R98 WeakPolarHBondContact O-CG 3.44Å; N96-R98 PolarHBondContact O-N 3.13Å | ||
| 97 | L | 67.1 | Low | 71.7 | Confident | 172 Ų | 172 | 137.6 Ų | 137.6 | 90% | 0.901 | 67% | 0.67 | S | S | * | * | trans | -53.3 | 101.3 | -178 | -68 | 172.6 | 0 | 0 | 0 | 108.6 | P95 | P95-L97 PolarHBondContact O-N 3.2Å; P95-L97 VanDerWaalsContact O-N 3.16Å | ||
| 98 | R | 73.2 | Confident | 71 | Confident | 221 Ų | 221 | 135.6 Ų | 135.6 | 83% | 0.834 | 66% | 0.659 | S | S | * | * | trans | -80.3 | 135.2 | 174.2 | -65.9 | -171.9 | 179.4 | -156 | -0.9 | 106.4 | N96 V100 | N96-R98 WeakPolarHBondContact O-CG 3.44Å; N96-R98 PolarHBondContact O-N 3.13Å; R98-V100 VanDerWaalsContact C-N 3.28Å; R98-V100 PolarHBondContact O-N 3.48Å | ||
| 99 | R | 74.4 | Confident | 70.3 | Confident | 231 Ų | 231 | 134.5 Ų | 134.5 | 87% | 0.872 | 64% | 0.644 | S | S | * | * | trans | -63.7 | 94.4 | 169.6 | -169.1 | -175.5 | -62.1 | -179.5 | 1.5 | 107.7 | R101 | R99-R101 PolarHBondContact O-N 3.34Å; R99-R101 VanDerWaalsContact O-N 3.16Å | ||
| 100 | V | 72.6 | Confident | 70.1 | Confident | 134 Ų | 134 | 130.8 Ų | 130.8 | 81% | 0.812 | 65% | 0.646 | S | S | * | * | trans | -70.4 | 109.2 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 106.2 | R98 | R98-V100 VanDerWaalsContact C-N 3.28Å; R98-V100 PolarHBondContact O-N 3.48Å | ||
| 101 | R | 78.1 | Confident | 70.3 | Confident | 213 Ų | 213 | 135.4 Ų | 135.4 | 80% | 0.804 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 151.6 | 170.5 | -64.3 | -178.2 | -179.9 | -176.4 | -1 | 108.2 | R99 S103 | R99-R101 PolarHBondContact O-N 3.34Å; R99-R101 VanDerWaalsContact O-N 3.16Å; R101-S103 PolarHBondContact O-N 2.92Å |
| 102 | V | 78.4 | Confident | 70.7 | Confident | 98 Ų | 98 | 129.1 Ų | 129.1 | 59% | 0.594 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -47.9 | 127.3 | 173.9 | -173.7 | 0 | 0 | 0 | 0 | 108.5 | A106 I107 | V102-A106 HydrophobicContact CG1-CB 3.54Å; V102-I107 HydrophobicContact CB-CD1 4.14Å; V102-I107 HydrophobicContact CB-CG1 3.83Å; V102-I107 HydrophobicContact CG1-CD1 4.4Å; V102-I107 HydrophobicContact CG1-CG1 3.56Å |
| 103 | S | 76 | Confident | 71.3 | Confident | 70 Ų | 70 | 122.4 Ų | 122.4 | 49% | 0.49 | 62% | 0.62 | S | S | . | * | P | Polyproline II helix | trans | -62.1 | 152.3 | -176.9 | 65.7 | 0 | 0 | 0 | 0 | 110.2 | R101 D105 A106 I107 | R101-S103 PolarHBondContact O-N 2.92Å; S103-D105 PolarHBondContact O-N 3.42Å; S103-A106 PolarHBondContact O-N 3.44Å; S103-A106 WeakPolarHBondContact OG-CB 3.46Å; S103-A106 PolarHBondContact OG-N 2.93Å; S103-I107 PolarHBondContact O-N 2.88Å |
| 104 | A | 70.7 | Confident | 71.4 | Confident | 59 Ų | 59 | 119.6 Ų | 119.6 | 49% | 0.488 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -53.7 | -38.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I107 L108 M120 | A104-I107 PolarHBondContact O-N 3.44Å; A104-L108 VanDerWaalsContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.49Å; A104-L108 WeakPolarHBondContact O-CD1 3.45Å; A104-L108 VanDerWaalsContact O-CG 3.23Å; A104-L108 WeakPolarHBondContact O-CG 3.36Å; A104-L108 PolarHBondContact O-N 3.03Å; A104-M120 HydrophobicContact CB-SD 4.46Å |
| 105 | D | 68.1 | Low | 71.4 | Confident | 50 Ų | 50 | 119 Ų | 119 | 27% | 0.267 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -63.8 | -41.1 | 176.4 | -166.7 | 70.3 | 0 | 0 | 0 | 112.9 | S103 L108 R109 | S103-D105 PolarHBondContact O-N 3.42Å; D105-L108 PolarHBondContact O-N 2.89Å; D105-R109 WeakPolarHBondContact O-CB 3.45Å; D105-R109 PolarHBondContact O-N 3.24Å; D105-R109 IonicContact OD2-CZ 3.92Å; D105-R109 IonicContact OD2-NE 3.1Å; D105-R109 PolarHBondContact OD2-NE 3.23Å; D105-R109 VanDerWaalsContact OD2-NE 3.1Å; D105-R109 IonicContact OD2-NH2 2.78Å |
| 106 | A | 73.9 | Confident | 70.8 | Confident | 41 Ų | 41 | 118.8 Ų | 118.8 | 34% | 0.339 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -70.4 | -38.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V102 S103 S110 | V102-A106 HydrophobicContact CG1-CB 3.54Å; S103-A106 PolarHBondContact O-N 3.44Å; S103-A106 WeakPolarHBondContact OG-CB 3.46Å; S103-A106 PolarHBondContact OG-N 2.93Å; A106-S110 WeakPolarHBondContact O-CB 3.42Å; A106-S110 PolarHBondContact O-N 3.48Å; A106-S110 VanDerWaalsContact O-N 3.12Å |
| 107 | I | 76.4 | Confident | 70.3 | Confident | 81 Ų | 81 | 120.1 Ų | 120.1 | 42% | 0.415 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -64.8 | -45.8 | 173.2 | -62.8 | 178.2 | 0 | 0 | 0 | 110.1 | V102 S103 A104 S110 L111 | V102-I107 HydrophobicContact CB-CD1 4.14Å; V102-I107 HydrophobicContact CB-CG1 3.83Å; V102-I107 HydrophobicContact CG1-CD1 4.4Å; V102-I107 HydrophobicContact CG1-CG1 3.56Å; S103-I107 PolarHBondContact O-N 2.88Å; A104-I107 PolarHBondContact O-N 3.44Å; I107-S110 PolarHBondContact O-N 2.99Å; I107-L111 HydrophobicContact CG2-CD1 3.59Å; I107-L111 HydrophobicContact CG2-CG 4.21Å; I107-L111 WeakPolarHBondContact O-CB 3.41Å; I107-L111 WeakPolarHBondContact O-CG 3.3Å; I107-L111 PolarHBondContact O-N 3.1Å |
| 108 | L | 70.6 | Confident | 69.9 | Low | 77 Ų | 77 | 116.6 Ų | 116.6 | 40% | 0.403 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.6 | -40.5 | -179.2 | -76.3 | 166.3 | 0 | 0 | 0 | 112.4 | A104 D105 S110 L111 L112 | A104-L108 VanDerWaalsContact O-CB 3.28Å; A104-L108 WeakPolarHBondContact O-CB 3.49Å; A104-L108 WeakPolarHBondContact O-CD1 3.45Å; A104-L108 VanDerWaalsContact O-CG 3.23Å; A104-L108 WeakPolarHBondContact O-CG 3.36Å; A104-L108 PolarHBondContact O-N 3.03Å; D105-L108 PolarHBondContact O-N 2.89Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.1Å; L108-L111 PolarHBondContact O-N 2.87Å; L108-L112 HydrophobicContact CD2-CD1 3.57Å; L108-L112 HydrophobicContact CD2-CG 4.44Å; L108-L112 VanDerWaalsContact O-CB 3.3Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 PolarHBondContact O-N 3.19Å |
| 109 | R | 71.1 | Confident | 69 | Low | 129 Ų | 129 | 108 Ų | 108 | 49% | 0.487 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -60 | -43.2 | 171.7 | -86.7 | 177.1 | -160.8 | -87.8 | -6.6 | 112.6 | D105 G113 | D105-R109 WeakPolarHBondContact O-CB 3.45Å; D105-R109 PolarHBondContact O-N 3.24Å; D105-R109 IonicContact OD2-CZ 3.92Å; D105-R109 IonicContact OD2-NE 3.1Å; D105-R109 PolarHBondContact OD2-NE 3.23Å; D105-R109 VanDerWaalsContact OD2-NE 3.1Å; D105-R109 IonicContact OD2-NH2 2.78Å; R109-G113 WeakPolarHBondContact O-CA 3.28Å; R109-G113 PolarHBondContact O-N 3.12Å; R109-G113 VanDerWaalsContact O-N 3.1Å |
| 110 | S | 73.6 | Confident | 68.3 | Low | 104 Ų | 104 | 103.4 Ų | 103.4 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.7 | -36.5 | -179.3 | -172 | 0 | 0 | 0 | 0 | 112.4 | A106 I107 L108 | A106-S110 WeakPolarHBondContact O-CB 3.42Å; A106-S110 PolarHBondContact O-N 3.48Å; A106-S110 VanDerWaalsContact O-N 3.12Å; I107-S110 PolarHBondContact O-N 2.99Å; L108-S110 VanDerWaalsContact C-N 3.34Å; L108-S110 PolarHBondContact O-N 3.1Å |
| 111 | L | 73.4 | Confident | 67.8 | Low | 134 Ų | 134 | 102.3 Ų | 102.3 | 70% | 0.702 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -86.6 | -34 | -176.6 | -69.2 | 177 | 0 | 0 | 0 | 113.5 | I107 L108 | I107-L111 HydrophobicContact CG2-CD1 3.59Å; I107-L111 HydrophobicContact CG2-CG 4.21Å; I107-L111 WeakPolarHBondContact O-CB 3.41Å; I107-L111 WeakPolarHBondContact O-CG 3.3Å; I107-L111 PolarHBondContact O-N 3.1Å; L108-L111 PolarHBondContact O-N 2.87Å |
| 112 | L | 71.4 | Confident | 66.9 | Low | 73 Ų | 73 | 99.7 Ų | 99.7 | 38% | 0.382 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -111.8 | -1.4 | -170.3 | -56.3 | 177.1 | 0 | 0 | 0 | 113.6 | L108 K115 H116 | L108-L112 HydrophobicContact CD2-CD1 3.57Å; L108-L112 HydrophobicContact CD2-CG 4.44Å; L108-L112 VanDerWaalsContact O-CB 3.3Å; L108-L112 WeakPolarHBondContact O-CB 3.23Å; L108-L112 PolarHBondContact O-N 3.19Å; L112-K115 PolarHBondContact O-N 3.27Å; L112-H116 HydrophobicContact CB-CB 4.3Å; L112-H116 HydrophobicContact CD1-CB 4.05Å |
| 113 | G | 70.2 | Confident | 66.2 | Low | 44 Ų | 44 | 105.4 Ų | 105.4 | 45% | 0.454 | 57% | 0.565 | S | S | . | * | G | 310 helix | trans | 53.9 | -139.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R109 K115 | R109-G113 WeakPolarHBondContact O-CA 3.28Å; R109-G113 PolarHBondContact O-N 3.12Å; R109-G113 VanDerWaalsContact O-N 3.1Å; G113-K115 PolarHBondContact O-N 3.24Å |
| 114 | S | 63.1 | Low | 65.7 | Low | 125 Ų | 125 | 105 Ų | 105 | 87% | 0.874 | 57% | 0.566 | S | S | * | * | G | 310 helix | trans | -72.6 | -8.5 | -177.3 | 72.4 | 0 | 0 | 0 | 0 | 114.8 | H116 | S114-H116 PolarHBondContact O-N 3.28Š|
| 115 | K | 60.4 | Low | 65.3 | Low | 184 Ų | 184 | 109.8 Ų | 109.8 | 80% | 0.8 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -79 | -19.3 | -168.2 | -157.1 | 174.3 | -177.7 | -178.6 | 0 | 113.8 | L112 G113 | L112-K115 PolarHBondContact O-N 3.27Å; G113-K115 PolarHBondContact O-N 3.24Å |
| 116 | H | 56 | Low | 65.5 | Low | 107 Ų | 107 | 113.2 Ų | 113.2 | 50% | 0.495 | 60% | 0.601 | S | S | . | * | trans | -124.5 | 80 | 175.1 | -85.7 | 74.4 | 0 | 0 | 0 | 110.7 | L112 S114 V118 | L112-H116 HydrophobicContact CB-CB 4.3Å; L112-H116 HydrophobicContact CD1-CB 4.05Å; S114-H116 PolarHBondContact O-N 3.28Å; H116-V118 PolarHBondContact O-N 3.48Å | ||
| 117 | K | 57 | Low | 65.3 | Low | 176 Ų | 176 | 120.9 Ų | 120.9 | 77% | 0.765 | 63% | 0.627 | S | S | * | * | trans | -90.6 | 52.4 | 169.9 | -161.6 | 178.1 | 179.9 | -179.3 | 0 | 110.3 | S119 | K117-S119 PolarHBondContact O-N 3.24Š| ||
| 118 | V | 59 | Low | 64.8 | Low | 97 Ų | 97 | 122.2 Ų | 122.2 | 59% | 0.588 | 64% | 0.643 | S | S | * | * | trans | -87.6 | 100.1 | 171.3 | -176.9 | 0 | 0 | 0 | 0 | 106.7 | H116 M120 | H116-V118 PolarHBondContact O-N 3.48Å; V118-M120 PolarHBondContact O-N 2.62Å | ||
| 119 | S | 55.5 | Low | 64.3 | Low | 40 Ų | 40 | 124.3 Ų | 124.3 | 28% | 0.28 | 66% | 0.659 | S | S | . | * | trans | -60.9 | 122 | 166.7 | 149.7 | 0 | 0 | 0 | 0 | 107.5 | K117 D121 A124 | K117-S119 PolarHBondContact O-N 3.24Å; S119-D121 PolarHBondContact O-N 3.24Å; S119-D121 WeakPolarHBondContact OG-CB 3.13Å; S119-D121 PolarHBondContact OG-N 3.07Å; S119-D121 VanDerWaalsContact OG-N 3.07Å; S119-D121 PolarHBondContact OG-OD2 3.4Å; S119-A124 WeakPolarHBondContact O-CB 3.13Å | ||
| 120 | M | 59.5 | Low | 63.4 | Low | 136 Ų | 136 | 125 Ų | 125 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | trans | -77.9 | 14.8 | 171.1 | -65.2 | -171.5 | 72.9 | 0 | 0 | 112.1 | A104 V118 | A104-M120 HydrophobicContact CB-SD 4.46Å; V118-M120 PolarHBondContact O-N 2.62Å | ||
| 121 | D | 61.8 | Low | 62.6 | Low | 110 Ų | 110 | 128.9 Ų | 128.9 | 59% | 0.588 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -63.3 | 140.6 | 175.5 | -60.3 | -36.8 | 0 | 0 | 0 | 108.9 | S119 R123 A124 | S119-D121 PolarHBondContact O-N 3.24Å; S119-D121 WeakPolarHBondContact OG-CB 3.13Å; S119-D121 PolarHBondContact OG-N 3.07Å; S119-D121 VanDerWaalsContact OG-N 3.07Å; S119-D121 PolarHBondContact OG-OD2 3.4Å; D121-R123 HydrophobicContact CB-CB 4.5Å; D121-R123 PolarHBondContact O-N 2.87Å; D121-A124 WeakPolarHBondContact O-CB 3.48Å; D121-A124 PolarHBondContact O-N 2.89Å |
| 122 | L | 58.6 | Low | 61.4 | Low | 159 Ų | 159 | 129.2 Ų | 129.2 | 83% | 0.832 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.7 | -28 | 175.6 | -171.5 | 71.6 | 0 | 0 | 0 | 112.2 | L126 | L122-L126 WeakPolarHBondContact O-CG 3.46Š|
| 123 | R | 64.1 | Low | 60.2 | Low | 218 Ų | 218 | 131 Ų | 131 | 82% | 0.823 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.4 | -28.9 | 179.5 | -159.7 | 177.3 | -170.8 | 126.8 | 1.3 | 114.2 | D121 | D121-R123 HydrophobicContact CB-CB 4.5Å; D121-R123 PolarHBondContact O-N 2.87Å |
| 124 | A | 64.9 | Low | 59 | Low | 62 Ų | 62 | 131.8 Ų | 131.8 | 51% | 0.512 | 67% | 0.674 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.3 | -24.8 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | S119 D121 | S119-A124 WeakPolarHBondContact O-CB 3.13Å; D121-A124 WeakPolarHBondContact O-CB 3.48Å; D121-A124 PolarHBondContact O-N 2.89Å |
| 125 | N | 63.6 | Low | 58.4 | Low | 159 Ų | 159 | 133.3 Ų | 133.3 | 85% | 0.85 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.7 | -2.8 | 178.7 | -109 | -37.6 | 0 | 0 | 0 | 113.9 | ||
| 126 | L | 71.8 | Confident | 57.8 | Low | 121 Ų | 121 | 132.8 Ų | 132.8 | 63% | 0.634 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -81.9 | 124 | 175.8 | -66.8 | 171.7 | 0 | 0 | 0 | 109.1 | L122 S128 | L122-L126 WeakPolarHBondContact O-CG 3.46Å; L126-S128 PolarHBondContact O-N 3.25Å; L126-S128 VanDerWaalsContact O-N 3.12Å |
| 127 | K | 68.8 | Low | 57.2 | Low | 202 Ų | 202 | 136.1 Ų | 136.1 | 88% | 0.878 | 68% | 0.68 | S | S | * | * | trans | -57.1 | 117.8 | 173.5 | -79.2 | -176.5 | 177.7 | 179.8 | 0 | 109.3 | V129 | K127-V129 PolarHBondContact O-N 3.12Š| ||
| 128 | S | 65.8 | Low | 56.8 | Low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 68% | 0.675 | S | S | * | * | trans | -69.2 | 113.2 | 165.4 | 56.2 | 0 | 0 | 0 | 0 | 108.4 | L126 K130 | L126-S128 PolarHBondContact O-N 3.25Å; L126-S128 VanDerWaalsContact O-N 3.12Å; S128-K130 PolarHBondContact O-N 3.12Å; S128-K130 VanDerWaalsContact O-N 3.12Å | ||
| 129 | V | 60.7 | Low | 56.1 | Low | 122 Ų | 122 | 135.7 Ų | 135.7 | 74% | 0.739 | 68% | 0.68 | S | S | * | * | trans | -68.8 | 108.7 | 168.3 | 179.2 | 0 | 0 | 0 | 0 | 106.9 | K127 K131 | K127-V129 PolarHBondContact O-N 3.12Å; V129-K131 PolarHBondContact O-N 3.29Å | ||
| 130 | K | 52.3 | Low | 55.9 | Low | 143 Ų | 143 | 139.3 Ų | 139.3 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | trans | -61.1 | 123.5 | 165.6 | -81 | -176.4 | 174.6 | -175 | 0 | 106.8 | S128 E132 D133 | S128-K130 PolarHBondContact O-N 3.12Å; S128-K130 VanDerWaalsContact O-N 3.12Å; K130-E132 PolarHBondContact O-N 3.28Å; K130-D133 PolarHBondContact O-N 3.07Å | ||
| 131 | K | 56.8 | Low | 55.4 | Low | 185 Ų | 185 | 141.3 Ų | 141.3 | 80% | 0.804 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.4 | -4.3 | 177.4 | -85.8 | -174.2 | 175.4 | -178.4 | 0 | 114 | V129 T134 | V129-K131 PolarHBondContact O-N 3.29Å; K131-T134 PolarHBondContact O-OG1 3Å; K131-T134 VanDerWaalsContact O-OG1 3.07Å |
| 132 | E | 48.7 | Very low | 54.8 | Low | 142 Ų | 142 | 141.9 Ų | 141.9 | 66% | 0.664 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -29.5 | 178.9 | -66.1 | 178.9 | 171.7 | 0 | 0 | 113 | K130 | K130-E132 PolarHBondContact O-N 3.28Š|
| 133 | D | 46.8 | Very low | 54.3 | Low | 109 Ų | 109 | 139.8 Ų | 139.8 | 58% | 0.583 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -84.2 | -19.5 | -177.9 | -67.2 | -34.8 | 0 | 0 | 0 | 113 | K130 E135 K136 E137 | K130-D133 PolarHBondContact O-N 3.07Å; D133-E135 PolarHBondContact O-N 3.44Å; D133-K136 PolarHBondContact O-N 3.44Å; D133-E137 PolarHBondContact O-N 3.38Å |
| 134 | T | 44.3 | Very low | 54 | Low | 62 Ų | 62 | 133.4 Ų | 133.4 | 38% | 0.38 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -70.3 | -13.1 | 175.5 | 9.9 | 0 | 0 | 0 | 0 | 114.6 | K131 K138 | K131-T134 PolarHBondContact O-OG1 3Å; K131-T134 VanDerWaalsContact O-OG1 3.07Å; T134-K138 WeakPolarHBondContact O-CD 3.2Å; T134-K138 WeakPolarHBondContact O-CG 3.19Å |
| 135 | E | 49.6 | Very low | 53.6 | Low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.734 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -88 | -30.2 | 174.9 | -103.5 | -179.6 | 171.8 | 0 | 0 | 112.6 | D133 | D133-E135 PolarHBondContact O-N 3.44Å |
| 136 | K | 48.1 | Very low | 53.3 | Low | 172 Ų | 172 | 142.6 Ų | 142.6 | 75% | 0.748 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -85.9 | -22.5 | -176.5 | -68.6 | -178.9 | -178.2 | 172.8 | 0 | 113.7 | D133 | D133-K136 PolarHBondContact O-N 3.44Å |
| 137 | E | 44.3 | Very low | 52.6 | Low | 177 Ų | 177 | 144 Ų | 144 | 83% | 0.827 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -92.5 | -6 | 176.9 | -130.1 | 176.4 | -168.8 | 0 | 0 | 113.6 | D133 | D133-E137 PolarHBondContact O-N 3.38Š|
| 138 | K | 47.7 | Very low | 52.2 | Low | 149 Ų | 149 | 140.3 Ų | 140.3 | 65% | 0.648 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -87.8 | -4.7 | -179 | -84.6 | -176.5 | -172.7 | 176.4 | 0 | 115.3 | T134 | T134-K138 WeakPolarHBondContact O-CD 3.2Å; T134-K138 WeakPolarHBondContact O-CG 3.19Å |
| 139 | T | 44.3 | Very low | 51.7 | Low | 115 Ų | 115 | 140 Ų | 140 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -88.2 | -5.5 | -170.3 | 51.1 | 0 | 0 | 0 | 0 | 115 | ||
| 140 | V | 51.2 | Low | 51.7 | Low | 116 Ų | 116 | 141.2 Ų | 141.2 | 70% | 0.703 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -113.9 | -25.1 | -170.4 | -173.3 | 0 | 0 | 0 | 0 | 115 | ||
| 141 | E | 49.8 | Very low | 52 | Low | 178 Ų | 178 | 138.3 Ų | 138.3 | 83% | 0.832 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -126.1 | 29 | -171 | -68.6 | -167.5 | 161 | 0 | 0 | 116.1 | ||
| 142 | V | 48.8 | Very low | 51.8 | Low | 123 Ų | 123 | 137 Ų | 137 | 75% | 0.745 | 69% | 0.689 | S | S | * | * | trans | -128.8 | 51.6 | 161.3 | -163.6 | 0 | 0 | 0 | 0 | 110.1 | D144 | V142-D144 PolarHBondContact O-N 2.93Å; V142-D144 VanDerWaalsContact O-N 3.09Å | ||
| 143 | S | 48.5 | Very low | 52.2 | Low | 114 Ų | 114 | 134.8 Ų | 134.8 | 80% | 0.797 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -77.4 | 86.5 | 158.1 | -88.8 | 0 | 0 | 0 | 0 | 109 | ||
| 144 | D | 57.4 | Low | 52.7 | Low | 84 Ų | 84 | 132.9 Ų | 132.9 | 45% | 0.449 | 70% | 0.696 | S | S | . | * | trans | 49.1 | 89.4 | 147.2 | -145 | 1.5 | 0 | 0 | 0 | 116.6 | V142 R146 K147 | V142-D144 PolarHBondContact O-N 2.93Å; V142-D144 VanDerWaalsContact O-N 3.09Å; D144-R146 PolarHBondContact O-N 3.09Å; D144-K147 PolarHBondContact O-N 3.1Å | ||
| 145 | W | 57.4 | Low | 53.3 | Low | 225 Ų | 225 | 138 Ų | 138 | 85% | 0.852 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -53.2 | -17.8 | 172.6 | -75.1 | -13.9 | 0 | 0 | 0 | 113.8 | V149 | W145-V149 WeakPolarHBondContact O-CG2 3.47Å |
| 146 | R | 55.7 | Low | 53.5 | Low | 190 Ų | 190 | 139.9 Ų | 139.9 | 72% | 0.717 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -62.9 | -38.5 | 172.8 | -83.5 | -178.9 | 171.7 | 146 | -2.3 | 113.8 | D144 N148 V149 E150 | D144-R146 PolarHBondContact O-N 3.09Å; R146-N148 VanDerWaalsContact C-N 3.33Å; R146-N148 PolarHBondContact O-N 3.22Å; R146-V149 PolarHBondContact O-N 3.48Å; R146-E150 PolarHBondContact O-N 3.02Å; R146-E150 VanDerWaalsContact O-N 3.1Å |
| 147 | K | 58.8 | Low | 53.8 | Low | 151 Ų | 151 | 134.8 Ų | 134.8 | 66% | 0.657 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -67.4 | -32.7 | -178.8 | -80.4 | -176.4 | 177.2 | 176.3 | 0 | 113.1 | D144 A151 | D144-K147 PolarHBondContact O-N 3.1Å; K147-A151 PolarHBondContact O-N 3.31Å |
| 148 | N | 59 | Low | 54.2 | Low | 123 Ų | 123 | 137.6 Ų | 137.6 | 66% | 0.658 | 73% | 0.725 | S | S | * | * | H | α-helix | trans | -74.9 | -29.3 | 179.9 | -158.4 | 22.3 | 0 | 0 | 0 | 112.2 | R146 | R146-N148 VanDerWaalsContact C-N 3.33Å; R146-N148 PolarHBondContact O-N 3.22Å |
| 149 | V | 56.4 | Low | 54.8 | Low | 104 Ų | 104 | 138.5 Ų | 138.5 | 63% | 0.63 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -79 | -40 | 177.5 | 176.8 | 0 | 0 | 0 | 0 | 111.4 | W145 R146 A151 M152 S153 | W145-V149 WeakPolarHBondContact O-CG2 3.47Å; R146-V149 PolarHBondContact O-N 3.48Å; V149-A151 PolarHBondContact O-N 3.26Å; V149-M152 PolarHBondContact O-N 3.33Å; V149-S153 PolarHBondContact O-N 3.41Å |
| 150 | E | 58.9 | Low | 55.1 | Low | 146 Ų | 146 | 141.6 Ų | 141.6 | 68% | 0.682 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -66.3 | -34.3 | 176.3 | -77.4 | 177.3 | 170.6 | 0 | 0 | 113 | R146 M152 S153 | R146-E150 PolarHBondContact O-N 3.02Å; R146-E150 VanDerWaalsContact O-N 3.1Å; E150-M152 PolarHBondContact O-N 3.44Å; E150-S153 PolarHBondContact O-N 3.27Å |
| 151 | A | 59.4 | Low | 54.9 | Low | 82 Ų | 82 | 143.8 Ų | 143.8 | 68% | 0.678 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | -23.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | K147 V149 | K147-A151 PolarHBondContact O-N 3.31Å; V149-A151 PolarHBondContact O-N 3.26Å |
| 152 | M | 53.5 | Low | 54.5 | Low | 157 Ų | 157 | 143.8 Ų | 143.8 | 77% | 0.773 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -10.5 | 179.9 | -75.3 | -83.6 | -85.3 | 0 | 0 | 113.5 | V149 E150 G154 | V149-M152 PolarHBondContact O-N 3.33Å; E150-M152 PolarHBondContact O-N 3.44Å; M152-G154 VanDerWaalsContact C-N 3.33Å; M152-G154 PolarHBondContact O-N 3.28Å |
| 153 | S | 55.4 | Low | 54.1 | Low | 97 Ų | 97 | 145.2 Ų | 145.2 | 68% | 0.678 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -1.4 | -176.5 | -170.3 | 0 | 0 | 0 | 0 | 114.3 | V149 E150 | V149-S153 PolarHBondContact O-N 3.41Å; E150-S153 PolarHBondContact O-N 3.27Å |
| 154 | G | 58.3 | Low | 53.8 | Low | 69 Ų | 69 | 144 Ų | 144 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.6 | 0.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 116.8 | M152 E156 | M152-G154 VanDerWaalsContact C-N 3.33Å; M152-G154 PolarHBondContact O-N 3.28Å; G154-E156 VanDerWaalsContact C-N 3.34Å; G154-E156 PolarHBondContact O-N 3.29Å |
| 155 | M | 55.8 | Low | 53.2 | Low | 169 Ų | 169 | 144.7 Ų | 144.7 | 83% | 0.833 | 75% | 0.752 | S | S | * | * | trans | -94.6 | 54.1 | -178.9 | -74.3 | -176.8 | 87.2 | 0 | 0 | 112.8 | ||||
| 156 | E | 54.3 | Low | 52.5 | Low | 197 Ų | 197 | 143.9 Ų | 143.9 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -105.1 | 75.3 | 169.6 | -148.6 | 154.1 | -154.8 | 0 | 0 | 109.2 | G154 | G154-E156 VanDerWaalsContact C-N 3.34Å; G154-E156 PolarHBondContact O-N 3.29Å | ||
| 157 | G | 54.5 | Low | 51.7 | Low | 65 Ų | 65 | 138 Ų | 138 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -158.8 | 120.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K159 | G157-K159 PolarHBondContact O-N 2.95Š|
| 158 | R | 53.7 | Low | 50.7 | Low | 236 Ų | 236 | 138.9 Ų | 138.9 | 89% | 0.891 | 76% | 0.76 | S | S | * | * | trans | -45.7 | 109.5 | 179.5 | -177.5 | -179.9 | -177.9 | 177.7 | 1.7 | 111.1 | K160 | R158-K160 PolarHBondContact O-N 3.01Š| ||
| 159 | K | 58.8 | Low | 49.8 | Very low | 168 Ų | 168 | 139.3 Ų | 139.3 | 73% | 0.73 | 76% | 0.761 | S | S | * | * | trans | -66 | 97.1 | 173.7 | -149.8 | 170.1 | -173.6 | 174 | 0 | 108.5 | G157 M161 | G157-K159 PolarHBondContact O-N 2.95Å; K159-M161 PolarHBondContact O-N 3.18Å | ||
| 160 | K | 51 | Low | 48.9 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 78% | 0.783 | 79% | 0.788 | S | S | * | * | trans | -67.8 | 107.6 | 170.7 | -83.1 | -175.4 | 176.3 | 179.3 | 0 | 108.1 | R158 | R158-K160 PolarHBondContact O-N 3.01Š| ||
| 161 | M | 47.1 | Very low | 48.4 | Very low | 161 Ų | 161 | 146.6 Ų | 146.6 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -90.9 | 103.8 | 164.4 | -64 | -70.8 | -76.5 | 0 | 0 | 107.5 | K159 | K159-M161 PolarHBondContact O-N 3.18Š| ||
| 162 | F | 41.3 | Very low | 47.8 | Very low | 178 Ų | 178 | 150 Ų | 150 | 78% | 0.781 | 80% | 0.799 | S | S | * | * | trans | -135.6 | 116.4 | 159.3 | -87.4 | -84.9 | 0 | 0 | 0 | 105.9 | ||||
| 163 | D | 40.8 | Very low | 47.5 | Very low | 154 Ų | 154 | 149.6 Ų | 149.6 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | -173.5 | 139.9 | 103.3 | -97.6 | -24.4 | 0 | 0 | 0 | 114.2 | |||||
| 164 | A | 41.9 | Very low | 47 | Very low | 88 Ų | 88 | 152.7 Ų | 152.7 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | 57.7 | 103.4 | 143.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 165 | A | 44.3 | Very low | 46.3 | Very low | 98 Ų | 98 | 157.9 Ų | 157.9 | 81% | 0.81 | 81% | 0.814 | S | S | * | * | trans | -47.9 | 137.1 | 146.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 166 | K | 43.3 | Very low | 45.7 | Very low | 208 Ų | 208 | 157.2 Ų | 157.2 | 90% | 0.904 | 81% | 0.813 | S | S | * | * | trans | -117.1 | 102.4 | 140.5 | -69.3 | -176.9 | 177.4 | -179.2 | 0 | 103.9 | ||||
| 167 | G | 38.8 | Very low | 45.1 | Very low | 67 Ų | 67 | 154.4 Ų | 154.4 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | 69.2 | 75.8 | 78 | 0 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 168 | Q | 38.1 | Very low | 44.4 | Very low | 169 Ų | 169 | 161.2 Ų | 161.2 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | 83.7 | 124.9 | 100 | -95 | -165 | -26.1 | 0 | 0 | 115.2 | |||||
| 169 | I | 40.2 | Very low | 43.6 | Very low | 133 Ų | 133 | 155 Ų | 155 | 68% | 0.682 | 81% | 0.809 | S | S | * | * | trans | 61.1 | 121 | 136.3 | -52.4 | 165 | 0 | 0 | 0 | 114.8 | ||||
| 170 | Q | 37.7 | Very low | 42.2 | Very low | 256 Ų | 256 | 153.8 Ų | 153.8 | 100% | 1.196 | 82% | 0.816 | S | S | * | * | cis | -163.4 | 0 | 46.5 | -160.7 | 159.7 | -18.9 | 0 | 0 | 109.1 |
Retrieved 170 of 170 residues in 148.6 ms
(Link to these results)