| 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 | 49.1 | Very low | 57 | Low | 226 Ų | 226 | 144.7 Ų | 144.7 | 100% | 1.113 | 81% | 0.807 | S | S | * | * | 0 | 114.1 | 0 | -74.7 | 168.5 | 173.7 | 0 | 0 | 107 | M3 | M1-M3 WeakPolarHBondContact O-CE 3.22Š| |||
| 2 | A | 49.6 | Very low | 57.6 | Low | 85 Ų | 85 | 144.2 Ų | 144.2 | 70% | 0.702 | 80% | 0.798 | S | S | * | * | trans | -93.4 | 120.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | H4 | A2-H4 PolarHBondContact O-N 3.32Š| ||
| 3 | M | 60.4 | Low | 58.6 | Low | 159 Ų | 159 | 139.4 Ų | 139.4 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -84.3 | 102.6 | -179.1 | -7.3 | -65.3 | 177.2 | 0 | 0 | 107.6 | M1 T5 | M1-M3 WeakPolarHBondContact O-CE 3.22Å; M3-T5 PolarHBondContact O-N 3.48Å; M3-T5 VanDerWaalsContact O-N 3.15Å | ||
| 4 | H | 52.4 | Low | 60.2 | Low | 177 Ų | 177 | 137.5 Ų | 137.5 | 82% | 0.819 | 77% | 0.766 | S | S | * | * | trans | -73.9 | 101.4 | 170.2 | -64.2 | 130.5 | 0 | 0 | 0 | 109.1 | A2 K6 | A2-H4 PolarHBondContact O-N 3.32Å; H4-K6 PolarHBondContact O-N 3.16Å | ||
| 5 | T | 59.8 | Low | 62.1 | Low | 129 Ų | 129 | 133.2 Ų | 133.2 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -75.9 | 102.1 | 167.2 | 54.3 | 0 | 0 | 0 | 0 | 108.3 | M3 A7 | M3-T5 PolarHBondContact O-N 3.48Å; M3-T5 VanDerWaalsContact O-N 3.15Å; T5-A7 PolarHBondContact O-N 3.33Å | ||
| 6 | K | 53.7 | Low | 63.8 | Low | 199 Ų | 199 | 137.6 Ų | 137.6 | 87% | 0.865 | 75% | 0.746 | S | S | * | * | trans | -63.5 | 108.5 | 169.2 | -78 | -174.6 | 176.8 | 179.6 | 0 | 108.3 | H4 T8 | H4-K6 PolarHBondContact O-N 3.16Å; K6-T8 PolarHBondContact O-N 3.25Å | ||
| 7 | A | 60.7 | Low | 65.4 | Low | 93 Ų | 93 | 138.7 Ų | 138.7 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 117.4 | 168.4 | 0 | 0 | 0 | 0 | 0 | 108.5 | T5 P9 | T5-A7 PolarHBondContact O-N 3.33Å; A7-P9 WeakPolarHBondContact O-CD 3.39Å |
| 8 | T | 63.7 | Low | 66.8 | Low | 127 Ų | 127 | 136.9 Ų | 136.9 | 78% | 0.779 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 122.6 | 169.2 | -50.4 | 0 | 0 | 0 | 0 | 107.8 | K6 | K6-T8 PolarHBondContact O-N 3.25Š|
| 9 | P | 60 | Low | 68.2 | Low | 102 Ų | 102 | 135.4 Ų | 135.4 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 143.8 | 175.7 | -18.2 | 29.2 | 0 | 0 | 0 | 109.6 | A7 Q11 | A7-P9 WeakPolarHBondContact O-CD 3.39Å; P9-Q11 PolarHBondContact O-N 3.15Å; P9-Q11 VanDerWaalsContact O-N 3.08Å |
| 10 | P | 59.3 | Low | 69.5 | Low | 115 Ų | 115 | 132.1 Ų | 132.1 | 75% | 0.747 | 70% | 0.704 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 120.2 | 172.2 | 24.1 | -31.7 | 0 | 0 | 0 | 108.4 | I12 | P10-I12 VanDerWaalsContact C-N 3.31Å; P10-I12 PolarHBondContact O-N 3.23Å |
| 11 | Q | 58.6 | Low | 70.7 | Confident | 180 Ų | 180 | 130.8 Ų | 130.8 | 84% | 0.841 | 69% | 0.693 | S | S | * | * | trans | -61 | 96.9 | 169.7 | -90.4 | -95.1 | -29 | 0 | 0 | 107.1 | P9 P13 | P9-Q11 PolarHBondContact O-N 3.15Å; P9-Q11 VanDerWaalsContact O-N 3.08Å; Q11-P13 WeakPolarHBondContact O-CD 3.23Å | ||
| 12 | I | 64.4 | Low | 73 | Confident | 138 Ų | 138 | 124.7 Ų | 124.7 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | trans | -65.1 | 112.8 | 168.7 | -60.5 | 163.6 | 0 | 0 | 0 | 104.4 | P10 D14 | P10-I12 VanDerWaalsContact C-N 3.31Å; P10-I12 PolarHBondContact O-N 3.23Å; I12-D14 PolarHBondContact O-N 3.19Å | ||
| 13 | P | 69.9 | Low | 75.3 | Confident | 82 Ų | 82 | 125.3 Ų | 125.3 | 53% | 0.532 | 66% | 0.66 | S | S | . | * | trans | -54.9 | 143.2 | 174 | 23.4 | -31.5 | 0 | 0 | 0 | 108.2 | Q11 T15 | Q11-P13 WeakPolarHBondContact O-CD 3.23Å; P13-T15 WeakPolarHBondContact O-CG2 3.39Å; P13-T15 PolarHBondContact O-N 3.27Å | ||
| 14 | D | 80.6 | Confident | 77 | Confident | 113 Ų | 113 | 124.3 Ų | 124.3 | 60% | 0.604 | 65% | 0.651 | S | S | * | * | trans | -70.6 | 73 | -175.8 | -160.1 | -5.5 | 0 | 0 | 0 | 109.8 | I12 R16 R17 E18 | I12-D14 PolarHBondContact O-N 3.19Å; D14-R16 PolarHBondContact O-N 3.15Å; D14-R16 VanDerWaalsContact O-N 3.07Å; D14-R17 HydrophobicContact CB-CB 4.2Å; D14-R17 WeakPolarHBondContact O-CA 3.3Å; D14-R17 VanDerWaalsContact O-CB 3.31Å; D14-R17 WeakPolarHBondContact O-CB 3.39Å; D14-R17 PolarHBondContact O-N 3.29Å; D14-E18 PolarHBondContact O-N 2.95Å; D14-E18 VanDerWaalsContact O-N 3.12Å | ||
| 15 | T | 89.3 | Confident | 79.2 | Confident | 73 Ų | 73 | 123.9 Ų | 123.9 | 45% | 0.448 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -55.5 | -30.1 | -170.6 | 50.8 | 0 | 0 | 0 | 0 | 112.4 | P13 R17 E18 L19 | P13-T15 WeakPolarHBondContact O-CG2 3.39Å; P13-T15 PolarHBondContact O-N 3.27Å; T15-R17 VanDerWaalsContact C-N 3.35Å; T15-E18 PolarHBondContact O-N 3.24Å; T15-L19 WeakPolarHBondContact O-CB 3.48Å; T15-L19 VanDerWaalsContact O-CG 3.23Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 3.37Å |
| 16 | R | 88.9 | Confident | 81 | Confident | 204 Ų | 204 | 125.4 Ų | 125.4 | 77% | 0.77 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -65.8 | -37.9 | 175 | -65.8 | -169.8 | 73.2 | -140.4 | 2.5 | 112.2 | D14 S20 | D14-R16 PolarHBondContact O-N 3.15Å; D14-R16 VanDerWaalsContact O-N 3.07Å; R16-S20 PolarHBondContact O-N 3.05Å |
| 17 | R | 90.8 | Very high | 83.1 | Confident | 156 Ų | 156 | 121.1 Ų | 121.1 | 59% | 0.589 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -71.4 | -43 | 175.2 | 178.7 | -176.4 | 167.7 | 175.3 | -0.6 | 111.2 | D14 T15 L19 S20 E21 | D14-R17 HydrophobicContact CB-CB 4.2Å; D14-R17 WeakPolarHBondContact O-CA 3.3Å; D14-R17 VanDerWaalsContact O-CB 3.31Å; D14-R17 WeakPolarHBondContact O-CB 3.39Å; D14-R17 PolarHBondContact O-N 3.29Å; T15-R17 VanDerWaalsContact C-N 3.35Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-L19 PolarHBondContact O-N 3.06Å; R17-S20 PolarHBondContact O-N 2.92Å; R17-S20 PolarHBondContact O-OG 3.17Å; R17-E21 IonicContact CZ-OE1 3.68Å; R17-E21 IonicContact NE-OE1 2.97Å; R17-E21 PolarHBondContact NE-OE1 3.41Å; R17-E21 IonicContact NH2-OE1 3.81Å; R17-E21 PolarHBondContact NH2-OE1 3.44Å; R17-E21 WeakPolarHBondContact O-CG 3.33Å; R17-E21 PolarHBondContact O-N 3.42Å |
| 18 | E | 91.4 | Very high | 84.8 | Confident | 106 Ų | 106 | 121 Ų | 121 | 50% | 0.495 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.6 | -43.3 | 176.6 | -174.6 | 178.1 | -177.2 | 0 | 0 | 111.5 | D14 T15 S20 E21 L22 | D14-E18 PolarHBondContact O-N 2.95Å; D14-E18 VanDerWaalsContact O-N 3.12Å; T15-E18 PolarHBondContact O-N 3.24Å; E18-S20 VanDerWaalsContact C-N 3.34Å; E18-S20 PolarHBondContact O-N 3.29Å; E18-E21 PolarHBondContact O-N 3.07Å; E18-L22 HydrophobicContact CG-CD1 4.36Å; E18-L22 WeakPolarHBondContact O-CG 3.31Å; E18-L22 PolarHBondContact O-N 2.95Å |
| 19 | L | 93.6 | Very high | 86.4 | Confident | 108 Ų | 108 | 120.1 Ų | 120.1 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60 | -41.5 | 175 | -75.6 | 171.5 | 0 | 0 | 0 | 112.5 | T15 R17 L22 V23 | T15-L19 WeakPolarHBondContact O-CB 3.48Å; T15-L19 VanDerWaalsContact O-CG 3.23Å; T15-L19 WeakPolarHBondContact O-CG 3.37Å; T15-L19 PolarHBondContact O-N 3.37Å; R17-L19 VanDerWaalsContact C-N 3.32Å; R17-L19 PolarHBondContact O-N 3.06Å; L19-L22 PolarHBondContact O-N 2.86Å; L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.21Å; L19-V23 PolarHBondContact O-N 3.42Å |
| 20 | S | 94.1 | Very high | 88.1 | Confident | 70 Ų | 70 | 117.5 Ų | 117.5 | 49% | 0.49 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.7 | -37.7 | 179 | 70 | 0 | 0 | 0 | 0 | 112.1 | R16 R17 E18 V23 K24 | R16-S20 PolarHBondContact O-N 3.05Å; R17-S20 PolarHBondContact O-N 2.92Å; R17-S20 PolarHBondContact O-OG 3.17Å; E18-S20 VanDerWaalsContact C-N 3.34Å; E18-S20 PolarHBondContact O-N 3.29Å; S20-V23 PolarHBondContact O-N 3.21Å; S20-K24 WeakPolarHBondContact O-CB 3.42Å; S20-K24 PolarHBondContact O-N 3.21Å |
| 21 | E | 95.2 | Very high | 89.8 | Confident | 104 Ų | 104 | 116.8 Ų | 116.8 | 49% | 0.486 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.8 | -42.3 | 172.9 | -70.4 | 178 | -167.2 | 0 | 0 | 111.5 | R17 E18 K24 R25 | R17-E21 IonicContact CZ-OE1 3.68Å; R17-E21 IonicContact NE-OE1 2.97Å; R17-E21 PolarHBondContact NE-OE1 3.41Å; R17-E21 IonicContact NH2-OE1 3.81Å; R17-E21 PolarHBondContact NH2-OE1 3.44Å; R17-E21 WeakPolarHBondContact O-CG 3.33Å; R17-E21 PolarHBondContact O-N 3.42Å; E18-E21 PolarHBondContact O-N 3.07Å; E21-K24 PolarHBondContact O-N 2.86Å; E21-R25 WeakPolarHBondContact O-CB 3.22Å; E21-R25 PolarHBondContact O-N 2.93Å |
| 22 | L | 96.6 | Very high | 91.7 | Very high | 98 Ų | 98 | 111.8 Ų | 111.8 | 51% | 0.513 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 176.2 | -72.6 | 174.9 | 0 | 0 | 0 | 112.8 | E18 L19 R25 K26 | E18-L22 HydrophobicContact CG-CD1 4.36Å; E18-L22 WeakPolarHBondContact O-CG 3.31Å; E18-L22 PolarHBondContact O-N 2.95Å; L19-L22 PolarHBondContact O-N 2.86Å; L22-R25 PolarHBondContact O-N 3Å; L22-K26 WeakPolarHBondContact O-CB 3.46Å; L22-K26 PolarHBondContact O-N 3.28Å |
| 23 | V | 97.4 | Very high | 93.2 | Very high | 99 Ų | 99 | 109.2 Ų | 109.2 | 60% | 0.6 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -63.4 | -43.8 | 176.3 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | L19 S20 K26 Q27 | L19-V23 VanDerWaalsContact O-CG2 3.3Å; L19-V23 WeakPolarHBondContact O-CG2 3.21Å; L19-V23 PolarHBondContact O-N 3.42Å; S20-V23 PolarHBondContact O-N 3.21Å; V23-K26 WeakPolarHBondContact O-CB 3.49Å; V23-K26 PolarHBondContact O-N 3.05Å; V23-Q27 PolarHBondContact O-N 3.28Å |
| 24 | K | 97.6 | Very high | 94.5 | Very high | 138 Ų | 138 | 107.6 Ų | 107.6 | 60% | 0.6 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.3 | -47.4 | 175.5 | -174.7 | -177.2 | 178.4 | -168.5 | 0 | 111.3 | S20 E21 K26 Q27 E28 | S20-K24 WeakPolarHBondContact O-CB 3.42Å; S20-K24 PolarHBondContact O-N 3.21Å; E21-K24 PolarHBondContact O-N 2.86Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 2.95Å; K24-Q27 WeakPolarHBondContact O-CB 3.48Å; K24-Q27 PolarHBondContact O-N 2.84Å; K24-Q27 VanDerWaalsContact O-N 3.12Å; K24-E28 WeakPolarHBondContact CE-OE1 3.38Å; K24-E28 IonicContact NZ-OE1 2.75Å; K24-E28 WeakPolarHBondContact O-CG 3.5Å; K24-E28 PolarHBondContact O-N 2.87Å |
| 25 | R | 97.6 | Very high | 95.2 | Very high | 167 Ų | 167 | 106.2 Ų | 106.2 | 63% | 0.63 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.4 | -39 | 178.3 | -167.1 | -176.8 | -174.1 | 112.2 | 1.6 | 112.2 | E21 L22 Q27 E28 L29 | E21-R25 WeakPolarHBondContact O-CB 3.22Å; E21-R25 PolarHBondContact O-N 2.93Å; L22-R25 PolarHBondContact O-N 3Å; R25-Q27 VanDerWaalsContact C-N 3.3Å; R25-Q27 PolarHBondContact O-N 3.03Å; R25-E28 PolarHBondContact O-N 3.29Å; R25-L29 HydrophobicContact CG-CD1 4.42Å; R25-L29 WeakPolarHBondContact O-CB 3.42Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.41Å; R25-L29 PolarHBondContact O-N 3.06Å |
| 26 | K | 97.4 | Very high | 95.6 | Very high | 162 Ų | 162 | 107 Ų | 107 | 70% | 0.704 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.6 | -43 | 174.2 | -178.9 | -172.9 | 173.3 | -173.3 | 0 | 111.1 | L22 V23 K24 A30 | L22-K26 WeakPolarHBondContact O-CB 3.46Å; L22-K26 PolarHBondContact O-N 3.28Å; V23-K26 WeakPolarHBondContact O-CB 3.49Å; V23-K26 PolarHBondContact O-N 3.05Å; K24-K26 VanDerWaalsContact C-N 3.32Å; K24-K26 PolarHBondContact O-N 2.95Å; K26-A30 WeakPolarHBondContact O-CB 3.47Å; K26-A30 PolarHBondContact O-N 3.2Å |
| 27 | Q | 97.3 | Very high | 96 | Very high | 109 Ų | 109 | 97.8 Ų | 97.8 | 51% | 0.509 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 177.6 | -179.2 | 61.8 | 23.6 | 0 | 0 | 111.8 | V23 K24 R25 L29 A30 E31 | V23-Q27 PolarHBondContact O-N 3.28Å; K24-Q27 WeakPolarHBondContact O-CB 3.48Å; K24-Q27 PolarHBondContact O-N 2.84Å; K24-Q27 VanDerWaalsContact O-N 3.12Å; R25-Q27 VanDerWaalsContact C-N 3.3Å; R25-Q27 PolarHBondContact O-N 3.03Å; Q27-L29 VanDerWaalsContact C-N 3.29Å; Q27-L29 PolarHBondContact O-N 3.25Å; Q27-A30 WeakPolarHBondContact O-CB 3.31Å; Q27-A30 PolarHBondContact O-N 3.35Å; Q27-A30 VanDerWaalsContact O-N 3.1Å; Q27-E31 WeakPolarHBondContact CG-OE1 3.48Å; Q27-E31 PolarHBondContact NE2-OE1 2.69Å; Q27-E31 WeakPolarHBondContact O-CG 3.44Å; Q27-E31 PolarHBondContact O-N 2.97Å |
| 28 | E | 97.2 | Very high | 96.2 | Very high | 90 Ų | 90 | 93.4 Ų | 93.4 | 42% | 0.421 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.9 | -40.1 | 178.1 | -69.7 | 170.2 | 178.4 | 0 | 0 | 112.2 | K24 R25 T32 | K24-E28 WeakPolarHBondContact CE-OE1 3.38Å; K24-E28 IonicContact NZ-OE1 2.75Å; K24-E28 WeakPolarHBondContact O-CG 3.5Å; K24-E28 PolarHBondContact O-N 2.87Å; R25-E28 PolarHBondContact O-N 3.29Å; E28-T32 WeakPolarHBondContact O-CB 3.39Å; E28-T32 PolarHBondContact O-N 3.44Å; E28-T32 PolarHBondContact O-OG1 3.31Å |
| 29 | L | 97.6 | Very high | 96.5 | Very high | 108 Ų | 108 | 92.9 Ų | 92.9 | 57% | 0.565 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -67.2 | -39.6 | 175.7 | -72.4 | 175 | 0 | 0 | 0 | 112.1 | R25 Q27 T32 L33 | R25-L29 HydrophobicContact CG-CD1 4.42Å; R25-L29 WeakPolarHBondContact O-CB 3.42Å; R25-L29 VanDerWaalsContact O-CG 3.3Å; R25-L29 WeakPolarHBondContact O-CG 3.41Å; R25-L29 PolarHBondContact O-N 3.06Å; Q27-L29 VanDerWaalsContact C-N 3.29Å; Q27-L29 PolarHBondContact O-N 3.25Å; L29-T32 PolarHBondContact O-N 3.15Å; L29-L33 WeakPolarHBondContact O-CB 3.5Å; L29-L33 PolarHBondContact O-N 3.08Å |
| 30 | A | 95.7 | Very high | 96.7 | Very high | 47 Ų | 47 | 91.3 Ų | 91.3 | 39% | 0.388 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K26 Q27 L33 V34 | K26-A30 WeakPolarHBondContact O-CB 3.47Å; K26-A30 PolarHBondContact O-N 3.2Å; Q27-A30 WeakPolarHBondContact O-CB 3.31Å; Q27-A30 PolarHBondContact O-N 3.35Å; Q27-A30 VanDerWaalsContact O-N 3.1Å; A30-L33 PolarHBondContact O-N 3.28Å; A30-V34 WeakPolarHBondContact O-CG2 3.39Å; A30-V34 PolarHBondContact O-N 3.26Å |
| 31 | E | 95.4 | Very high | 96.9 | Very high | 100 Ų | 100 | 91 Ų | 91 | 47% | 0.467 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.9 | -44.8 | 175.3 | -71 | 171.1 | -165.8 | 0 | 0 | 111.8 | Q27 L33 V34 N35 | Q27-E31 WeakPolarHBondContact CG-OE1 3.48Å; Q27-E31 PolarHBondContact NE2-OE1 2.69Å; Q27-E31 WeakPolarHBondContact O-CG 3.44Å; Q27-E31 PolarHBondContact O-N 2.97Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 2.9Å; E31-V34 PolarHBondContact O-N 2.89Å; E31-N35 VanDerWaalsContact O-CG 3.25Å; E31-N35 PolarHBondContact O-N 3.39Å; E31-N35 PolarHBondContact O-ND2 3.43Å |
| 32 | T | 96.9 | Very high | 96.9 | Very high | 75 Ų | 75 | 89.1 Ų | 89.1 | 46% | 0.46 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 177.1 | -56.4 | 0 | 0 | 0 | 0 | 111.3 | E28 L29 N35 L36 | E28-T32 WeakPolarHBondContact O-CB 3.39Å; E28-T32 PolarHBondContact O-N 3.44Å; E28-T32 PolarHBondContact O-OG1 3.31Å; L29-T32 PolarHBondContact O-N 3.15Å; T32-N35 PolarHBondContact O-N 3.39Å; T32-L36 HydrophobicContact CG2-CD1 4.23Å; T32-L36 WeakPolarHBondContact O-CG 3.46Å; T32-L36 PolarHBondContact O-N 3.27Å |
| 33 | L | 96.6 | Very high | 97 | Very high | 85 Ų | 85 | 90.9 Ų | 90.9 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -59.7 | -50.9 | 177.1 | -179.7 | 66.1 | 0 | 0 | 0 | 111.2 | L29 A30 E31 N35 L36 E37 | L29-L33 WeakPolarHBondContact O-CB 3.5Å; L29-L33 PolarHBondContact O-N 3.08Å; A30-L33 PolarHBondContact O-N 3.28Å; E31-L33 VanDerWaalsContact C-N 3.32Å; E31-L33 PolarHBondContact O-N 2.9Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.37Å; L33-L36 PolarHBondContact O-N 3.48Å; L33-L36 VanDerWaalsContact O-N 3.13Å; L33-E37 HydrophobicContact CD1-CG 4.34Å; L33-E37 HydrophobicContact CG-CG 4.49Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 2.96Å |
| 34 | V | 96.6 | Very high | 96.9 | Very high | 48 Ų | 48 | 86.7 Ų | 86.7 | 29% | 0.291 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.9 | -41.7 | 178.5 | 170.1 | 0 | 0 | 0 | 0 | 111.1 | A30 E31 E37 R38 A99 | A30-V34 WeakPolarHBondContact O-CG2 3.39Å; A30-V34 PolarHBondContact O-N 3.26Å; E31-V34 PolarHBondContact O-N 2.89Å; V34-E37 PolarHBondContact O-N 3.47Å; V34-R38 WeakPolarHBondContact O-CB 3.23Å; V34-R38 VanDerWaalsContact O-CG 3.23Å; V34-R38 WeakPolarHBondContact O-CG 3.1Å; V34-R38 PolarHBondContact O-N 3.12Å; V34-A99 HydrophobicContact CG1-CB 4.09Å; V34-A99 HydrophobicContact CG2-CB 4.5Å |
| 35 | N | 96.6 | Very high | 96.8 | Very high | 84 Ų | 84 | 80.8 Ų | 80.8 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 178.2 | -72 | -27.8 | 0 | 0 | 0 | 112.8 | E31 T32 L33 Q39 | E31-N35 VanDerWaalsContact O-CG 3.25Å; E31-N35 PolarHBondContact O-N 3.39Å; E31-N35 PolarHBondContact O-ND2 3.43Å; T32-N35 PolarHBondContact O-N 3.39Å; L33-N35 VanDerWaalsContact C-N 3.26Å; L33-N35 PolarHBondContact O-N 3.37Å; N35-Q39 VanDerWaalsContact O-CG 3.32Å; N35-Q39 WeakPolarHBondContact O-CG 3.17Å; N35-Q39 PolarHBondContact O-N 3.02Å; N35-Q39 VanDerWaalsContact O-N 3.15Å; N35-Q39 PolarHBondContact O-NE2 3.14Å; N35-Q39 VanDerWaalsContact O-NE2 3.13Å |
| 36 | L | 97.7 | Very high | 96.7 | Very high | 88 Ų | 88 | 75.4 Ų | 75.4 | 46% | 0.461 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.9 | -44.9 | 177 | -71.8 | 172.7 | 0 | 0 | 0 | 111.7 | T32 L33 R38 Q39 I40 | T32-L36 HydrophobicContact CG2-CD1 4.23Å; T32-L36 WeakPolarHBondContact O-CG 3.46Å; T32-L36 PolarHBondContact O-N 3.27Å; L33-L36 PolarHBondContact O-N 3.48Å; L33-L36 VanDerWaalsContact O-N 3.13Å; L36-R38 VanDerWaalsContact C-N 3.27Å; L36-R38 PolarHBondContact O-N 3.04Å; L36-Q39 WeakPolarHBondContact O-CB 3.5Å; L36-Q39 PolarHBondContact O-N 3.4Å; L36-Q39 VanDerWaalsContact O-N 3.12Å; L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 2.88Å |
| 37 | E | 97.1 | Very high | 96.7 | Very high | 11 Ų | 11 | 71.7 Ų | 71.7 | 5% | 0.051 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 178.5 | -70.3 | -177.4 | 142.2 | 0 | 0 | 112 | L33 V34 I40 Y41 S93 T95 A99 | L33-E37 HydrophobicContact CD1-CG 4.34Å; L33-E37 HydrophobicContact CG-CG 4.49Å; L33-E37 WeakPolarHBondContact O-CG 3.35Å; L33-E37 PolarHBondContact O-N 2.96Å; V34-E37 PolarHBondContact O-N 3.47Å; E37-I40 PolarHBondContact O-N 3.37Å; E37-Y41 PolarHBondContact O-N 3Å; E37-S93 WeakPolarHBondContact OE1-CB 3.29Å; E37-S93 PolarHBondContact OE1-OG 3.47Å; E37-T95 PolarHBondContact OE1-OG1 3Å; E37-T95 PolarHBondContact OE2-OG1 3.13Å; E37-A99 HydrophobicContact CB-CB 3.96Å; E37-A99 WeakPolarHBondContact OE2-CB 3.31Å |
| 38 | R | 95.6 | Very high | 96.5 | Very high | 65 Ų | 65 | 66.7 Ų | 66.7 | 25% | 0.245 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -63 | -44.4 | 172.9 | -74.2 | 172.6 | 176.7 | -157 | -0.6 | 112.6 | V34 L36 Y41 A42 A99 L103 | V34-R38 WeakPolarHBondContact O-CB 3.23Å; V34-R38 VanDerWaalsContact O-CG 3.23Å; V34-R38 WeakPolarHBondContact O-CG 3.1Å; V34-R38 PolarHBondContact O-N 3.12Å; L36-R38 VanDerWaalsContact C-N 3.27Å; L36-R38 PolarHBondContact O-N 3.04Å; R38-Y41 PolarHBondContact O-N 3.48Å; R38-A42 PolarHBondContact O-N 3.34Å; R38-A99 PolarHBondContact NE-O 3.12Å; R38-A99 PolarHBondContact NH2-O 3.39Å; R38-L103 VanDerWaalsContact NH1-CD1 3.31Å |
| 39 | Q | 97.6 | Very high | 96.4 | Very high | 95 Ų | 95 | 69 Ų | 69 | 44% | 0.444 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 178.1 | -76.6 | 172.1 | 66.4 | 0 | 0 | 111.5 | N35 L36 Y41 A42 F43 | N35-Q39 VanDerWaalsContact O-CG 3.32Å; N35-Q39 WeakPolarHBondContact O-CG 3.17Å; N35-Q39 PolarHBondContact O-N 3.02Å; N35-Q39 VanDerWaalsContact O-N 3.15Å; N35-Q39 PolarHBondContact O-NE2 3.14Å; N35-Q39 VanDerWaalsContact O-NE2 3.13Å; L36-Q39 WeakPolarHBondContact O-CB 3.5Å; L36-Q39 PolarHBondContact O-N 3.4Å; L36-Q39 VanDerWaalsContact O-N 3.12Å; Q39-Y41 VanDerWaalsContact C-N 3.32Å; Q39-Y41 PolarHBondContact O-N 2.93Å; Q39-A42 PolarHBondContact O-N 2.92Å; Q39-F43 HydrophobicContact CB-CD2 4.3Å; Q39-F43 HydrophobicContact CB-CE2 4.15Å; Q39-F43 WeakPolarHBondContact O-CB 3.48Å; Q39-F43 WeakPolarHBondContact O-CD2 3.37Å; Q39-F43 WeakPolarHBondContact O-CG 3.4Å; Q39-F43 PolarHBondContact O-N 3.32Å |
| 40 | I | 97.6 | Very high | 96.2 | Very high | 74 Ų | 74 | 69.4 Ų | 69.4 | 38% | 0.379 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.3 | -49.9 | 175 | -68.8 | 165.7 | 0 | 0 | 0 | 109.6 | L36 E37 A42 F43 E44 F89 | L36-I40 WeakPolarHBondContact O-CG1 3.38Å; L36-I40 PolarHBondContact O-N 2.88Å; E37-I40 PolarHBondContact O-N 3.37Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 3.3Å; I40-F43 PolarHBondContact O-N 2.93Å; I40-E44 HydrophobicContact CG2-CG 4.26Å; I40-E44 WeakPolarHBondContact O-CB 3.47Å; I40-E44 VanDerWaalsContact O-CG 3.28Å; I40-E44 WeakPolarHBondContact O-CG 3.23Å; I40-E44 PolarHBondContact O-N 3.42Å; I40-F89 HydrophobicContact CG2-CB 3.68Å |
| 41 | Y | 97.2 | Very high | 96 | Very high | 65 Ų | 65 | 68.3 Ų | 68.3 | 26% | 0.255 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 179 | -173.9 | -88.4 | 0 | 0 | 0 | 112.8 | E37 R38 Q39 G45 E84 R87 S90 V100 | E37-Y41 PolarHBondContact O-N 3Å; R38-Y41 PolarHBondContact O-N 3.48Å; Q39-Y41 VanDerWaalsContact C-N 3.32Å; Q39-Y41 PolarHBondContact O-N 2.93Å; Y41-G45 PolarHBondContact O-N 3.45Å; Y41-E84 VanDerWaalsContact CE2-OE1 3.23Å; Y41-E84 WeakPolarHBondContact CE2-OE1 3.34Å; Y41-E84 PolarHBondContact OH-OE1 3.19Å; Y41-E84 PolarHBondContact OH-OE2 3.04Å; Y41-R87 VanDerWaalsContact CE2-CD 3.46Å; Y41-R87 VanDerWaalsContact CE2-NE 3.32Å; Y41-R87 PolarHBondContact O-NH1 3.4Å; Y41-S90 WeakPolarHBondContact CA-OG 3.32Å; Y41-S90 WeakPolarHBondContact CD2-OG 3.36Å; Y41-V100 HydrophobicContact CD1-CG1 4.15Å; Y41-V100 HydrophobicContact CD1-CG2 3.99Å; Y41-V100 HydrophobicContact CD2-CG2 3.79Å; Y41-V100 HydrophobicContact CE1-CG1 4Å; Y41-V100 HydrophobicContact CE2-CG1 4.49Å; Y41-V100 HydrophobicContact CE2-CG2 4.35Å; Y41-V100 HydrophobicContact CG-CG1 4.47Å; Y41-V100 HydrophobicContact CG-CG2 3.57Å |
| 42 | A | 96.4 | Very high | 95.7 | Very high | 63 Ų | 63 | 65.6 Ų | 65.6 | 52% | 0.521 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -63.6 | -50.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | R38 Q39 I40 E44 G45 S46 | R38-A42 PolarHBondContact O-N 3.34Å; Q39-A42 PolarHBondContact O-N 2.92Å; I40-A42 VanDerWaalsContact C-N 3.34Å; I40-A42 PolarHBondContact O-N 3.3Å; A42-E44 VanDerWaalsContact C-N 3.35Å; A42-E44 PolarHBondContact O-N 3.03Å; A42-G45 PolarHBondContact O-N 3.04Å; A42-G45 VanDerWaalsContact O-N 3.08Å; A42-S46 PolarHBondContact O-N 3.12Å |
| 43 | F | 97.9 | Very high | 95.2 | Very high | 136 Ų | 136 | 67.1 Ų | 67.1 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -65.2 | -35.5 | -179.4 | -72.3 | -46 | 0 | 0 | 0 | 113.2 | Q39 I40 G45 S46 Y47 | Q39-F43 HydrophobicContact CB-CD2 4.3Å; Q39-F43 HydrophobicContact CB-CE2 4.15Å; Q39-F43 WeakPolarHBondContact O-CB 3.48Å; Q39-F43 WeakPolarHBondContact O-CD2 3.37Å; Q39-F43 WeakPolarHBondContact O-CG 3.4Å; Q39-F43 PolarHBondContact O-N 3.32Å; I40-F43 PolarHBondContact O-N 2.93Å; F43-G45 PolarHBondContact O-N 2.82Å; F43-S46 PolarHBondContact O-N 2.84Å; F43-S46 PolarHBondContact O-OG 3.35Å; F43-S46 VanDerWaalsContact O-OG 3.05Å; F43-Y47 WeakPolarHBondContact O-CB 3.3Å; F43-Y47 PolarHBondContact O-N 2.98Å |
| 44 | E | 96.5 | Very high | 94.9 | Very high | 11 Ų | 11 | 69.8 Ų | 69.8 | 5% | 0.051 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.4 | -36.5 | 173.1 | -79.7 | -172.7 | 128.8 | 0 | 0 | 111.9 | I40 A42 L48 R87 L88 F89 S90 | I40-E44 HydrophobicContact CG2-CG 4.26Å; I40-E44 WeakPolarHBondContact O-CB 3.47Å; I40-E44 VanDerWaalsContact O-CG 3.28Å; I40-E44 WeakPolarHBondContact O-CG 3.23Å; I40-E44 PolarHBondContact O-N 3.42Å; A42-E44 VanDerWaalsContact C-N 3.35Å; A42-E44 PolarHBondContact O-N 3.03Å; E44-L48 WeakPolarHBondContact O-CB 3.47Å; E44-L48 WeakPolarHBondContact O-CG 3.15Å; E44-L48 PolarHBondContact O-N 3.13Å; E44-R87 WeakPolarHBondContact OE1-CA 3.15Å; E44-R87 WeakPolarHBondContact OE2-CB 3.28Å; E44-L88 PolarHBondContact OE1-N 3.08Å; E44-F89 HydrophobicContact CG-CB 4.34Å; E44-F89 HydrophobicContact CG-CD2 4.08Å; E44-F89 VanDerWaalsContact OE1-CA 3.27Å; E44-F89 WeakPolarHBondContact OE1-CA 3.4Å; E44-F89 WeakPolarHBondContact OE1-CB 3.48Å; E44-F89 WeakPolarHBondContact OE1-CD2 3.5Å; E44-F89 PolarHBondContact OE1-N 3.43Å; E44-S90 PolarHBondContact OE1-N 3.38Å; E44-S90 VanDerWaalsContact OE1-N 3.16Å; E44-S90 WeakPolarHBondContact OE2-CB 3.29Å; E44-S90 PolarHBondContact OE2-N 3.24Å; E44-S90 PolarHBondContact OE2-OG 3.43Å |
| 45 | G | 94.7 | Very high | 94.6 | Very high | 14 Ų | 14 | 67.8 Ų | 67.8 | 14% | 0.144 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62 | -56.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111 | Y41 A42 F43 Y47 L48 E49 | Y41-G45 PolarHBondContact O-N 3.45Å; A42-G45 PolarHBondContact O-N 3.04Å; A42-G45 VanDerWaalsContact O-N 3.08Å; F43-G45 PolarHBondContact O-N 2.82Å; G45-Y47 PolarHBondContact O-N 2.97Å; G45-L48 PolarHBondContact O-N 3.22Å; G45-E49 WeakPolarHBondContact O-CB 3.48Å; G45-E49 PolarHBondContact O-N 2.66Å; G45-E49 VanDerWaalsContact O-N 3.12Å |
| 46 | S | 95.8 | Very high | 94.5 | Very high | 54 Ų | 54 | 63.8 Ų | 63.8 | 38% | 0.378 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.6 | -44.3 | 179.4 | 59.3 | 0 | 0 | 0 | 0 | 111.8 | A42 F43 L48 E49 D50 | A42-S46 PolarHBondContact O-N 3.12Å; F43-S46 PolarHBondContact O-N 2.84Å; F43-S46 PolarHBondContact O-OG 3.35Å; F43-S46 VanDerWaalsContact O-OG 3.05Å; S46-L48 PolarHBondContact O-N 3.31Å; S46-E49 PolarHBondContact O-N 2.94Å; S46-D50 WeakPolarHBondContact O-CB 3.42Å; S46-D50 VanDerWaalsContact O-CG 3.24Å; S46-D50 PolarHBondContact O-N 2.99Å |
| 47 | Y | 96.9 | Very high | 94.3 | Very high | 83 Ų | 83 | 64.7 Ų | 64.7 | 33% | 0.325 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -60.2 | -45.3 | -179.7 | 177.7 | -98.8 | 0 | 0 | 0 | 112.2 | F43 G45 T51 N56 I57 | F43-Y47 WeakPolarHBondContact O-CB 3.3Å; F43-Y47 PolarHBondContact O-N 2.98Å; G45-Y47 PolarHBondContact O-N 2.97Å; Y47-T51 HydrophobicContact CD2-CG2 3.9Å; Y47-T51 HydrophobicContact CE2-CG2 3.69Å; Y47-T51 HydrophobicContact CG-CG2 4.46Å; Y47-T51 VanDerWaalsContact O-CB 3.32Å; Y47-T51 WeakPolarHBondContact O-CB 3.24Å; Y47-T51 VanDerWaalsContact O-CG2 3.27Å; Y47-T51 WeakPolarHBondContact O-CG2 3.2Å; Y47-T51 PolarHBondContact O-N 3.36Å; Y47-T51 VanDerWaalsContact O-N 3.12Å; Y47-T51 PolarHBondContact O-OG1 2.99Å; Y47-N56 HydrophobicContact CE1-CB 3.98Å; Y47-I57 HydrophobicContact CE1-CG2 3.92Å; Y47-I57 PolarHBondContact OH-N 3.1Å |
| 48 | L | 94 | Very high | 94.2 | Very high | 4 Ų | 4 | 66.3 Ų | 66.3 | 2% | 0.021 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -73.3 | -29.8 | -177.4 | -68.3 | 175.4 | 0 | 0 | 0 | 113.1 | E44 G45 S46 I58 F82 E86 | E44-L48 WeakPolarHBondContact O-CB 3.47Å; E44-L48 WeakPolarHBondContact O-CG 3.15Å; E44-L48 PolarHBondContact O-N 3.13Å; G45-L48 PolarHBondContact O-N 3.22Å; S46-L48 PolarHBondContact O-N 3.31Å; L48-I58 HydrophobicContact CD2-CB 4.36Å; L48-I58 HydrophobicContact CD2-CG1 3.59Å; L48-F82 HydrophobicContact CB-CD2 3.66Å; L48-F82 HydrophobicContact CB-CE2 3.95Å; L48-F82 HydrophobicContact CD1-CD2 4.07Å; L48-F82 HydrophobicContact CD1-CE2 3.63Å; L48-F82 HydrophobicContact CG-CE2 4.41Å; L48-E86 HydrophobicContact CD1-CB 4.18Å |
| 49 | E | 93.3 | Very high | 93.9 | Very high | 140 Ų | 140 | 67.8 Ų | 67.8 | 65% | 0.654 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -68.8 | -52.6 | 173 | -175.1 | 162.8 | -150.3 | 0 | 0 | 111.2 | G45 S46 T51 | G45-E49 WeakPolarHBondContact O-CB 3.48Å; G45-E49 PolarHBondContact O-N 2.66Å; G45-E49 VanDerWaalsContact O-N 3.12Å; S46-E49 PolarHBondContact O-N 2.94Å; E49-T51 PolarHBondContact O-N 3.46Å |
| 50 | D | 93.8 | Very high | 93.6 | Very high | 115 Ų | 115 | 64.5 Ų | 64.5 | 62% | 0.615 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -68 | -34.8 | -173.9 | -67.6 | -23.1 | 0 | 0 | 0 | 112.9 | S46 | S46-D50 WeakPolarHBondContact O-CB 3.42Å; S46-D50 VanDerWaalsContact O-CG 3.24Å; S46-D50 PolarHBondContact O-N 2.99Å |
| 51 | T | 92.4 | Very high | 93.4 | Very high | 24 Ų | 24 | 67.3 Ų | 67.3 | 15% | 0.147 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -3.6 | -172.9 | 63.1 | 0 | 0 | 0 | 0 | 114.4 | Y47 E49 M53 Y54 G55 N56 | Y47-T51 HydrophobicContact CD2-CG2 3.9Å; Y47-T51 HydrophobicContact CE2-CG2 3.69Å; Y47-T51 HydrophobicContact CG-CG2 4.46Å; Y47-T51 VanDerWaalsContact O-CB 3.32Å; Y47-T51 WeakPolarHBondContact O-CB 3.24Å; Y47-T51 VanDerWaalsContact O-CG2 3.27Å; Y47-T51 WeakPolarHBondContact O-CG2 3.2Å; Y47-T51 PolarHBondContact O-N 3.36Å; Y47-T51 VanDerWaalsContact O-N 3.12Å; Y47-T51 PolarHBondContact O-OG1 2.99Å; E49-T51 PolarHBondContact O-N 3.46Å; T51-M53 PolarHBondContact O-N 3.4Å; T51-Y54 PolarHBondContact O-N 2.55Å; T51-G55 PolarHBondContact O-N 3.04Å; T51-N56 VanDerWaalsContact OG1-CB 3.25Å; T51-N56 WeakPolarHBondContact OG1-CB 3.47Å; T51-N56 PolarHBondContact OG1-ND2 3.44Å; T51-N56 VanDerWaalsContact OG1-ND2 3.15Å |
| 52 | Q | 89.2 | Confident | 92.9 | Very high | 44 Ų | 44 | 69.7 Ų | 69.7 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -33.4 | -172.7 | -165.4 | -175.2 | -74.8 | 0 | 0 | 113.1 | ||
| 53 | M | 86.4 | Confident | 92.4 | Very high | 106 Ų | 106 | 69.4 Ų | 69.4 | 52% | 0.522 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -23 | -172.6 | -61.1 | -60.3 | -92.7 | 0 | 0 | 114.1 | T51 R63 N67 | T51-M53 PolarHBondContact O-N 3.4Å; M53-R63 WeakPolarHBondContact O-CD 3.48Å; M53-N67 PolarHBondContact O-ND2 3.2Å |
| 54 | Y | 89 | Confident | 91.9 | Very high | 141 Ų | 141 | 68.9 Ų | 68.9 | 55% | 0.553 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.7 | -19.7 | -176.4 | -50.9 | -68.2 | 0 | 0 | 0 | 112.2 | T51 R63 Y64 | T51-Y54 PolarHBondContact O-N 2.55Å; Y54-R63 CarbonylContact O-C 3.37Å; Y54-Y64 VanDerWaalsContact O-CA 3.26Å; Y54-Y64 WeakPolarHBondContact O-CA 3.41Å; Y54-Y64 VanDerWaalsContact O-CB 3.31Å; Y54-Y64 WeakPolarHBondContact O-CB 3.44Å; Y54-Y64 PolarHBondContact O-N 2.58Å |
| 55 | G | 91.4 | Very high | 91.4 | Very high | 6 Ų | 6 | 74 Ų | 74 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | trans | 101.4 | 157.9 | -165.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | T51 G60 W61 | T51-G55 PolarHBondContact O-N 3.04Å; G55-G60 CarbonylContact C-O 3.57Å; G55-G60 WeakPolarHBondContact CA-O 3.16Å; G55-W61 WeakPolarHBondContact O-CZ3 3.15Å | ||
| 56 | N | 93.4 | Very high | 90.6 | Very high | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.005 | 38% | 0.375 | C | S | . | . | B | Isolated β-bridge | trans | -157.4 | 175.3 | -174.4 | 64.6 | 28.9 | 0 | 0 | 0 | 111.5 | Y47 T51 I58 R59 G60 | Y47-N56 HydrophobicContact CE1-CB 3.98Å; T51-N56 VanDerWaalsContact OG1-CB 3.25Å; T51-N56 WeakPolarHBondContact OG1-CB 3.47Å; T51-N56 PolarHBondContact OG1-ND2 3.44Å; T51-N56 VanDerWaalsContact OG1-ND2 3.15Å; N56-I58 PolarHBondContact O-N 3.21Å; N56-I58 VanDerWaalsContact O-N 3.13Å; N56-I58 PolarHBondContact OD1-N 3.05Å; N56-I58 VanDerWaalsContact OD1-N 3.1Å; N56-R59 PolarHBondContact O-N 3.36Å; N56-R59 PolarHBondContact OD1-N 3.06Å; N56-G60 PolarHBondContact N-O 3.36Å; N56-G60 VanDerWaalsContact N-O 3.08Å; N56-G60 CarbonylContact O-C 3.56Å; N56-G60 VanDerWaalsContact O-CA 3.29Å; N56-G60 WeakPolarHBondContact O-CA 3.42Å; N56-G60 PolarHBondContact O-N 2.94Å |
| 57 | I | 94.8 | Very high | 89.2 | Confident | 106 Ų | 106 | 78 Ų | 78 | 54% | 0.544 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -25.2 | -177.5 | -169.3 | 163.5 | 0 | 0 | 0 | 114.1 | Y47 | Y47-I57 HydrophobicContact CE1-CG2 3.92Å; Y47-I57 PolarHBondContact OH-N 3.1Å |
| 58 | I | 93.7 | Very high | 87.8 | Confident | 46 Ų | 46 | 81.3 Ų | 81.3 | 24% | 0.236 | 39% | 0.392 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | -38.9 | -178.9 | -49.7 | -57.4 | 0 | 0 | 0 | 111.6 | L48 N56 E86 L88 | L48-I58 HydrophobicContact CD2-CB 4.36Å; L48-I58 HydrophobicContact CD2-CG1 3.59Å; N56-I58 PolarHBondContact O-N 3.21Å; N56-I58 VanDerWaalsContact O-N 3.13Å; N56-I58 PolarHBondContact OD1-N 3.05Å; N56-I58 VanDerWaalsContact OD1-N 3.1Å; I58-E86 HydrophobicContact CG2-CB 4.21Å; I58-L88 HydrophobicContact CD1-CB 4.1Å; I58-L88 HydrophobicContact CD1-CD1 3.66Å; I58-L88 HydrophobicContact CD1-CG 3.88Å; I58-L88 HydrophobicContact CG2-CD1 4.34Å |
| 59 | R | 90.1 | Very high | 86.6 | Confident | 95 Ų | 95 | 89 Ų | 89 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.3 | -9.8 | -174.5 | -67.9 | -175.5 | 170.1 | 121 | -12 | 114.3 | N56 R80 E86 | N56-R59 PolarHBondContact O-N 3.36Å; N56-R59 PolarHBondContact OD1-N 3.06Å; R59-R80 PolarHBondContact NH2-O 3.46Å; R59-E86 IonicContact CZ-OE1 2.79Å; R59-E86 IonicContact CZ-OE2 3.1Å; R59-E86 IonicContact NE-OE1 3Å; R59-E86 IonicContact NE-OE2 3.97Å; R59-E86 IonicContact NH1-OE2 3.49Å; R59-E86 PolarHBondContact NH1-OE2 3.13Å; R59-E86 VanDerWaalsContact NH1-OE2 3.12Å; R59-E86 IonicContact NH2-OE1 3.12Å; R59-E86 PolarHBondContact NH2-OE1 3.17Å; R59-E86 IonicContact NH2-OE2 3.93Å; R59-E86 PolarHBondContact NH2-OE2 3.31Å |
| 60 | G | 91.7 | Very high | 84.9 | Confident | 26 Ų | 26 | 90 Ų | 90 | 27% | 0.268 | 44% | 0.435 | S | S | . | . | B | Isolated β-bridge | trans | 91.8 | 168.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | G55 N56 | G55-G60 CarbonylContact C-O 3.57Å; G55-G60 WeakPolarHBondContact CA-O 3.16Å; N56-G60 PolarHBondContact N-O 3.36Å; N56-G60 VanDerWaalsContact N-O 3.08Å; N56-G60 CarbonylContact O-C 3.56Å; N56-G60 VanDerWaalsContact O-CA 3.29Å; N56-G60 WeakPolarHBondContact O-CA 3.42Å; N56-G60 PolarHBondContact O-N 2.94Å |
| 61 | W | 93.4 | Very high | 83.2 | Confident | 133 Ų | 133 | 89.6 Ų | 89.6 | 50% | 0.504 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -100.7 | 9.1 | -177.5 | -62.3 | 106.7 | 0 | 0 | 0 | 113.5 | G55 R63 Y64 L65 | G55-W61 WeakPolarHBondContact O-CZ3 3.15Å; W61-R63 PolarHBondContact O-N 3.43Å; W61-Y64 VanDerWaalsContact O-CB 3.28Å; W61-Y64 WeakPolarHBondContact O-CB 3.33Å; W61-Y64 PolarHBondContact O-N 2.88Å; W61-L65 PolarHBondContact O-N 3.44Å |
| 62 | D | 86.3 | Confident | 81.9 | Confident | 115 Ų | 115 | 94.1 Ų | 94.1 | 62% | 0.615 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -57.4 | -34.8 | -180 | -61.5 | -65.5 | 0 | 0 | 0 | 112.6 | Y64 L65 T66 | D62-Y64 VanDerWaalsContact C-N 3.3Å; D62-Y64 PolarHBondContact O-N 3.1Å; D62-L65 PolarHBondContact O-N 3.38Å; D62-T66 WeakPolarHBondContact O-CB 3.38Å; D62-T66 WeakPolarHBondContact O-CG2 3.32Å; D62-T66 PolarHBondContact O-N 3.01Å; D62-T66 PolarHBondContact O-OG1 3.33Å |
| 63 | R | 85.7 | Confident | 80.2 | Confident | 57 Ų | 57 | 96.8 Ų | 96.8 | 22% | 0.215 | 49% | 0.488 | C | S | . | . | H | α-helix | trans | -65.6 | -34.2 | 176 | -174.6 | 173.2 | -73.1 | -93.5 | 16.1 | 111.9 | M53 Y54 W61 L65 T66 N67 N79 | M53-R63 WeakPolarHBondContact O-CD 3.48Å; Y54-R63 CarbonylContact O-C 3.37Å; W61-R63 PolarHBondContact O-N 3.43Å; R63-L65 VanDerWaalsContact C-N 3.34Å; R63-T66 WeakPolarHBondContact CA-OG1 3.42Å; R63-T66 PolarHBondContact O-N 3.35Å; R63-T66 PolarHBondContact O-OG1 3.02Å; R63-N67 VanDerWaalsContact O-CB 3.24Å; R63-N67 WeakPolarHBondContact O-CB 3.44Å; R63-N67 PolarHBondContact O-N 2.97Å; R63-N79 PolarHBondContact NH2-OD1 3.02Å |
| 64 | Y | 88.3 | Confident | 78.7 | Confident | 126 Ų | 126 | 101.2 Ų | 101.2 | 49% | 0.494 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 179 | -177.1 | -105.8 | 0 | 0 | 0 | 110.6 | Y54 W61 D62 | Y54-Y64 VanDerWaalsContact O-CA 3.26Å; Y54-Y64 WeakPolarHBondContact O-CA 3.41Å; Y54-Y64 VanDerWaalsContact O-CB 3.31Å; Y54-Y64 WeakPolarHBondContact O-CB 3.44Å; Y54-Y64 PolarHBondContact O-N 2.58Å; W61-Y64 VanDerWaalsContact O-CB 3.28Å; W61-Y64 WeakPolarHBondContact O-CB 3.33Å; W61-Y64 PolarHBondContact O-N 2.88Å; D62-Y64 VanDerWaalsContact C-N 3.3Å; D62-Y64 PolarHBondContact O-N 3.1Å |
| 65 | L | 84.7 | Confident | 77.2 | Confident | 118 Ų | 118 | 96.5 Ų | 96.5 | 62% | 0.618 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.4 | -35.1 | 177.7 | -60.5 | 177.2 | 0 | 0 | 0 | 112.9 | W61 D62 R63 | W61-L65 PolarHBondContact O-N 3.44Å; D62-L65 PolarHBondContact O-N 3.38Å; R63-L65 VanDerWaalsContact C-N 3.34Å |
| 66 | T | 78 | Confident | 75.3 | Confident | 87 Ų | 87 | 102.5 Ų | 102.5 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -86.5 | -30.1 | -176.7 | 52.5 | 0 | 0 | 0 | 0 | 113.3 | D62 R63 Q68 K69 | D62-T66 WeakPolarHBondContact O-CB 3.38Å; D62-T66 WeakPolarHBondContact O-CG2 3.32Å; D62-T66 PolarHBondContact O-N 3.01Å; D62-T66 PolarHBondContact O-OG1 3.33Å; R63-T66 WeakPolarHBondContact CA-OG1 3.42Å; R63-T66 PolarHBondContact O-N 3.35Å; R63-T66 PolarHBondContact O-OG1 3.02Å; T66-Q68 PolarHBondContact O-N 3.07Å; T66-K69 CarbonylContact O-C 3.37Å; T66-K69 PolarHBondContact O-N 3.31Å |
| 67 | N | 66.9 | Low | 73.5 | Confident | 65 Ų | 65 | 114.6 Ų | 114.6 | 35% | 0.348 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.6 | -20.6 | 176.3 | -104.6 | -5.5 | 0 | 0 | 0 | 113.5 | M53 R63 K69 | M53-N67 PolarHBondContact O-ND2 3.2Å; R63-N67 VanDerWaalsContact O-CB 3.24Å; R63-N67 WeakPolarHBondContact O-CB 3.44Å; R63-N67 PolarHBondContact O-N 2.97Å; N67-K69 PolarHBondContact O-N 2.79Å |
| 68 | Q | 67.9 | Low | 71.8 | Confident | 153 Ų | 153 | 118 Ų | 118 | 72% | 0.715 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.9 | -22.9 | 172.2 | -78.7 | -167.5 | 9.5 | 0 | 0 | 113 | T66 | T66-Q68 PolarHBondContact O-N 3.07Š|
| 69 | K | 68.3 | Low | 70 | Confident | 166 Ų | 166 | 118.4 Ų | 118.4 | 72% | 0.722 | 58% | 0.575 | S | S | * | * | S | Bend | trans | -113.8 | 92.6 | -178.4 | -62.9 | 177.2 | -175.5 | 177.2 | 0 | 107.1 | T66 N67 S71 | T66-K69 CarbonylContact O-C 3.37Å; T66-K69 PolarHBondContact O-N 3.31Å; N67-K69 PolarHBondContact O-N 2.79Å; K69-S71 PolarHBondContact O-N 3.49Å |
| 70 | N | 58.6 | Low | 69.2 | Low | 159 Ų | 159 | 121.8 Ų | 121.8 | 85% | 0.85 | 59% | 0.588 | S | S | * | * | trans | -53.4 | 53.5 | -169.3 | -127.7 | 22.9 | 0 | 0 | 0 | 116.9 | ||||
| 71 | S | 57.2 | Low | 68.4 | Low | 107 Ų | 107 | 129 Ų | 129 | 75% | 0.748 | 61% | 0.612 | S | S | * | * | trans | -110.7 | 81.3 | -179.8 | -173.3 | 0 | 0 | 0 | 0 | 109.6 | K69 | K69-S71 PolarHBondContact O-N 3.49Š| ||
| 72 | N | 64.1 | Low | 67.8 | Low | 119 Ų | 119 | 125.8 Ų | 125.8 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | trans | -113.2 | 65.6 | -168.5 | -158.9 | 11.3 | 0 | 0 | 0 | 111.5 | ||||
| 73 | S | 55 | Low | 67.9 | Low | 101 Ų | 101 | 122.9 Ų | 122.9 | 71% | 0.706 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -124.6 | 7.5 | -172.4 | 66.8 | 0 | 0 | 0 | 0 | 117.5 | ||
| 74 | K | 55.3 | Low | 68.1 | Low | 198 Ų | 198 | 124.5 Ų | 124.5 | 86% | 0.861 | 59% | 0.594 | S | S | * | * | S | Bend | trans | -160.3 | 10.8 | 175.1 | -116.1 | 153.9 | -171.3 | 163.6 | 0 | 118.9 | ||
| 75 | T | 57.2 | Low | 68.2 | Low | 43 Ų | 43 | 121.3 Ų | 121.3 | 26% | 0.264 | 59% | 0.593 | S | S | . | * | trans | -97.7 | 2.2 | -174.9 | 53 | 0 | 0 | 0 | 0 | 115.1 | R77 R78 | T75-R77 VanDerWaalsContact C-N 3.33Å; T75-R77 PolarHBondContact O-N 3.42Å; T75-R78 VanDerWaalsContact O-CB 3.29Å; T75-R78 WeakPolarHBondContact O-CB 3.36Å; T75-R78 WeakPolarHBondContact O-CG 3.27Å; T75-R78 PolarHBondContact O-N 2.74Å | ||
| 76 | D | 51.2 | Low | 68.5 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 70% | 0.701 | 57% | 0.568 | S | S | * | * | G | 310 helix | trans | -64.7 | -26.1 | -164.7 | -152.3 | -11.1 | 0 | 0 | 0 | 115.3 | R78 N79 | D76-R78 PolarHBondContact O-N 2.92Å; D76-N79 PolarHBondContact O-N 3.48Å |
| 77 | R | 54.2 | Low | 69.4 | Low | 255 Ų | 255 | 113.4 Ų | 113.4 | 96% | 0.962 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -62.9 | -9.7 | 171.6 | -72.7 | -174 | 178 | 171.8 | -0.2 | 114 | T75 | T75-R77 VanDerWaalsContact C-N 3.33Å; T75-R77 PolarHBondContact O-N 3.42Å |
| 78 | R | 59.3 | Low | 70.8 | Confident | 179 Ų | 179 | 115 Ų | 115 | 68% | 0.675 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -99.6 | -1.6 | -177.7 | -53.8 | -179.8 | -141.9 | 164 | 5.5 | 113.9 | T75 D76 R80 | T75-R78 VanDerWaalsContact O-CB 3.29Å; T75-R78 WeakPolarHBondContact O-CB 3.36Å; T75-R78 WeakPolarHBondContact O-CG 3.27Å; T75-R78 PolarHBondContact O-N 2.74Å; D76-R78 PolarHBondContact O-N 2.92Å; R78-R80 PolarHBondContact O-N 3.07Å |
| 79 | N | 57.8 | Low | 72.1 | Confident | 53 Ų | 53 | 113 Ų | 113 | 28% | 0.283 | 54% | 0.543 | S | S | . | . | trans | -78.7 | 52.7 | 171.7 | -84.7 | 34.6 | 0 | 0 | 0 | 111.1 | R63 D76 K81 | R63-N79 PolarHBondContact NH2-OD1 3.02Å; D76-N79 PolarHBondContact O-N 3.48Å; N79-K81 PolarHBondContact O-N 3.13Å | ||
| 80 | R | 71.5 | Confident | 73.5 | Confident | 167 Ų | 167 | 105.4 Ų | 105.4 | 63% | 0.63 | 51% | 0.511 | S | S | * | . | trans | -69.9 | 117.5 | -179.7 | -159.9 | 162.9 | -177.9 | -149.3 | -4.1 | 107.8 | R59 R78 | R59-R80 PolarHBondContact NH2-O 3.46Å; R78-R80 PolarHBondContact O-N 3.07Å | ||
| 81 | K | 75.6 | Confident | 75.3 | Confident | 176 Ų | 176 | 103.9 Ų | 103.9 | 77% | 0.765 | 50% | 0.497 | S | S | * | . | trans | -45.8 | 150.3 | 174.5 | -60 | -177 | 179.5 | -170.8 | 0 | 110.5 | N79 K83 | N79-K81 PolarHBondContact O-N 3.13Å; K81-K83 PolarHBondContact O-N 3.04Å | ||
| 82 | F | 80.5 | Confident | 77.2 | Confident | 67 Ų | 67 | 103.5 Ų | 103.5 | 29% | 0.294 | 49% | 0.494 | S | S | . | . | trans | -30.8 | 132.8 | 171 | 171.4 | -92.9 | 0 | 0 | 0 | 112.2 | L48 R87 | L48-F82 HydrophobicContact CB-CD2 3.66Å; L48-F82 HydrophobicContact CB-CE2 3.95Å; L48-F82 HydrophobicContact CD1-CD2 4.07Å; L48-F82 HydrophobicContact CD1-CE2 3.63Å; L48-F82 HydrophobicContact CG-CE2 4.41Å; F82-R87 HydrophobicContact CE2-CG 4.32Å; F82-R87 HydrophobicContact CZ-CG 4.04Å; F82-R87 VanDerWaalsContact CZ-CZ 3.46Å; F82-R87 VanDerWaalsContact CZ-NH2 3.35Å | ||
| 83 | K | 88.6 | Confident | 78.7 | Confident | 53 Ų | 53 | 99.6 Ų | 99.6 | 23% | 0.23 | 48% | 0.476 | C | S | . | . | trans | -126.3 | 143.9 | 171.4 | -68.4 | -162.4 | -129 | 72.5 | 0 | 111.1 | K81 A85 E86 | K81-K83 PolarHBondContact O-N 3.04Å; K83-A85 HydrophobicContact CB-CB 4.48Å; K83-A85 PolarHBondContact O-N 3.17Å; K83-E86 HydrophobicContact CB-CG 4.24Å; K83-E86 IonicContact NZ-OE1 3.04Å; K83-E86 PolarHBondContact NZ-OE1 3.38Å; K83-E86 WeakPolarHBondContact O-CB 3.35Å; K83-E86 PolarHBondContact O-N 3.44Å | ||
| 84 | E | 89.2 | Confident | 80.7 | Confident | 92 Ų | 92 | 101.6 Ų | 101.6 | 43% | 0.43 | 48% | 0.484 | S | S | . | . | G | 310 helix | trans | -53.2 | -32.3 | 170 | -160 | 55.6 | -146.4 | 0 | 0 | 112.9 | Y41 E86 R87 | Y41-E84 VanDerWaalsContact CE2-OE1 3.23Å; Y41-E84 WeakPolarHBondContact CE2-OE1 3.34Å; Y41-E84 PolarHBondContact OH-OE1 3.19Å; Y41-E84 PolarHBondContact OH-OE2 3.04Å; E84-E86 PolarHBondContact O-N 2.51Å; E84-E86 VanDerWaalsContact O-N 3.13Å; E84-R87 PolarHBondContact O-N 3.16Å; E84-R87 WeakPolarHBondContact OE1-CD 3.21Å; E84-R87 IonicContact OE1-NE 3.48Å; E84-R87 PolarHBondContact OE1-NE 3.09Å; E84-R87 VanDerWaalsContact OE1-NE 3.1Å; E84-R87 IonicContact OE2-CZ 3.92Å; E84-R87 IonicContact OE2-NE 2.74Å; E84-R87 PolarHBondContact OE2-NE 3.38Å |
| 85 | A | 90.4 | Very high | 82.6 | Confident | 58 Ų | 58 | 95.1 Ų | 95.1 | 48% | 0.479 | 46% | 0.461 | S | S | . | . | G | 310 helix | trans | -63.4 | -20.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | K83 K91 | K83-A85 HydrophobicContact CB-CB 4.48Å; K83-A85 PolarHBondContact O-N 3.17Å; A85-K91 VanDerWaalsContact CA-NZ 3.3Å; A85-K91 PolarHBondContact O-NZ 2.62Å |
| 86 | E | 92.9 | Very high | 84.3 | Confident | 22 Ų | 22 | 93.3 Ų | 93.3 | 10% | 0.103 | 45% | 0.45 | C | S | . | . | G | 310 helix | trans | -90.8 | -3.4 | -173.2 | -65.3 | 168.6 | -167.8 | 0 | 0 | 113.3 | L48 I58 R59 K83 E84 L88 | L48-E86 HydrophobicContact CD1-CB 4.18Å; I58-E86 HydrophobicContact CG2-CB 4.21Å; R59-E86 IonicContact CZ-OE1 2.79Å; R59-E86 IonicContact CZ-OE2 3.1Å; R59-E86 IonicContact NE-OE1 3Å; R59-E86 IonicContact NE-OE2 3.97Å; R59-E86 IonicContact NH1-OE2 3.49Å; R59-E86 PolarHBondContact NH1-OE2 3.13Å; R59-E86 VanDerWaalsContact NH1-OE2 3.12Å; R59-E86 IonicContact NH2-OE1 3.12Å; R59-E86 PolarHBondContact NH2-OE1 3.17Å; R59-E86 IonicContact NH2-OE2 3.93Å; R59-E86 PolarHBondContact NH2-OE2 3.31Å; K83-E86 HydrophobicContact CB-CG 4.24Å; K83-E86 IonicContact NZ-OE1 3.04Å; K83-E86 PolarHBondContact NZ-OE1 3.38Å; K83-E86 WeakPolarHBondContact O-CB 3.35Å; K83-E86 PolarHBondContact O-N 3.44Å; E84-E86 PolarHBondContact O-N 2.51Å; E84-E86 VanDerWaalsContact O-N 3.13Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 3.28Å |
| 87 | R | 95.6 | Very high | 86.3 | Confident | 18 Ų | 18 | 91.9 Ų | 91.9 | 7% | 0.068 | 45% | 0.446 | C | S | . | . | trans | -76 | 71.7 | 175.1 | -66.3 | -175.1 | -177.9 | -78.4 | -0.4 | 112.4 | Y41 E44 F82 E84 F89 K91 | Y41-R87 VanDerWaalsContact CE2-CD 3.46Å; Y41-R87 VanDerWaalsContact CE2-NE 3.32Å; Y41-R87 PolarHBondContact O-NH1 3.4Å; E44-R87 WeakPolarHBondContact OE1-CA 3.15Å; E44-R87 WeakPolarHBondContact OE2-CB 3.28Å; F82-R87 HydrophobicContact CE2-CG 4.32Å; F82-R87 HydrophobicContact CZ-CG 4.04Å; F82-R87 VanDerWaalsContact CZ-CZ 3.46Å; F82-R87 VanDerWaalsContact CZ-NH2 3.35Å; E84-R87 PolarHBondContact O-N 3.16Å; E84-R87 WeakPolarHBondContact OE1-CD 3.21Å; E84-R87 IonicContact OE1-NE 3.48Å; E84-R87 PolarHBondContact OE1-NE 3.09Å; E84-R87 VanDerWaalsContact OE1-NE 3.1Å; E84-R87 IonicContact OE2-CZ 3.92Å; E84-R87 IonicContact OE2-NE 2.74Å; E84-R87 PolarHBondContact OE2-NE 3.38Å; R87-F89 PolarHBondContact O-N 3.48Å; R87-K91 VanDerWaalsContact O-CB 3.24Å; R87-K91 WeakPolarHBondContact O-CB 3.37Å; R87-K91 WeakPolarHBondContact O-CD 3.32Å; R87-K91 WeakPolarHBondContact O-CG 3.27Å; R87-K91 PolarHBondContact O-N 2.7Å | ||
| 88 | L | 96.1 | Very high | 88.1 | Confident | 98 Ų | 98 | 82.8 Ų | 82.8 | 51% | 0.513 | 43% | 0.426 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -33.5 | -173.2 | -68 | -175.9 | 0 | 0 | 0 | 113.7 | E44 I58 E86 S92 | E44-L88 PolarHBondContact OE1-N 3.08Å; I58-L88 HydrophobicContact CD1-CB 4.1Å; I58-L88 HydrophobicContact CD1-CD1 3.66Å; I58-L88 HydrophobicContact CD1-CG 3.88Å; I58-L88 HydrophobicContact CG2-CD1 4.34Å; E86-L88 VanDerWaalsContact C-N 3.3Å; E86-L88 PolarHBondContact O-N 3.28Å; L88-S92 PolarHBondContact O-N 3.02Å |
| 89 | F | 96.8 | Very high | 89.5 | Confident | 110 Ų | 110 | 74.5 Ų | 74.5 | 48% | 0.482 | 40% | 0.395 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -45.1 | 179.9 | -55.7 | -81.2 | 0 | 0 | 0 | 111.2 | I40 E44 R87 K91 S92 | I40-F89 HydrophobicContact CG2-CB 3.68Å; E44-F89 HydrophobicContact CG-CB 4.34Å; E44-F89 HydrophobicContact CG-CD2 4.08Å; E44-F89 VanDerWaalsContact OE1-CA 3.27Å; E44-F89 WeakPolarHBondContact OE1-CA 3.4Å; E44-F89 WeakPolarHBondContact OE1-CB 3.48Å; E44-F89 WeakPolarHBondContact OE1-CD2 3.5Å; E44-F89 PolarHBondContact OE1-N 3.43Å; R87-F89 PolarHBondContact O-N 3.48Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 3.33Å; F89-S92 WeakPolarHBondContact O-CB 3.16Å; F89-S92 PolarHBondContact O-N 2.85Å; F89-S92 VanDerWaalsContact O-N 3.09Å; F89-S92 PolarHBondContact O-OG 3.27Å |
| 90 | S | 96.8 | Very high | 90.9 | Very high | 8 Ų | 8 | 73.9 Ų | 73.9 | 6% | 0.056 | 39% | 0.393 | C | S | . | . | G | 310 helix | trans | -59.9 | -42.9 | 172.4 | -66.1 | 0 | 0 | 0 | 0 | 110.8 | Y41 E44 S92 S93 S96 | Y41-S90 WeakPolarHBondContact CA-OG 3.32Å; Y41-S90 WeakPolarHBondContact CD2-OG 3.36Å; E44-S90 PolarHBondContact OE1-N 3.38Å; E44-S90 VanDerWaalsContact OE1-N 3.16Å; E44-S90 WeakPolarHBondContact OE2-CB 3.29Å; E44-S90 PolarHBondContact OE2-N 3.24Å; E44-S90 PolarHBondContact OE2-OG 3.43Å; S90-S92 PolarHBondContact O-N 3.32Å; S90-S93 PolarHBondContact O-N 2.96Å; S90-S93 VanDerWaalsContact O-N 3.17Å; S90-S93 VanDerWaalsContact O-O 3.12Å; S90-S96 WeakPolarHBondContact O-CB 3.25Å; S90-S96 PolarHBondContact O-OG 3.48Å |
| 91 | K | 96.1 | Very high | 91.5 | Very high | 126 Ų | 126 | 70.1 Ų | 70.1 | 55% | 0.548 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -67.5 | -13.6 | 177.5 | -74.1 | 176.8 | 160 | -157.5 | 0 | 115 | A85 R87 F89 S93 | A85-K91 VanDerWaalsContact CA-NZ 3.3Å; A85-K91 PolarHBondContact O-NZ 2.62Å; R87-K91 VanDerWaalsContact O-CB 3.24Å; R87-K91 WeakPolarHBondContact O-CB 3.37Å; R87-K91 WeakPolarHBondContact O-CD 3.32Å; R87-K91 WeakPolarHBondContact O-CG 3.27Å; R87-K91 PolarHBondContact O-N 2.7Å; F89-K91 VanDerWaalsContact C-N 3.28Å; F89-K91 PolarHBondContact O-N 3.33Å; K91-S93 VanDerWaalsContact C-N 3.26Å |
| 92 | S | 96.5 | Very high | 91.4 | Very high | 99 Ų | 99 | 65 Ų | 65 | 69% | 0.692 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -76.6 | -16.2 | 175.4 | 75.4 | 0 | 0 | 0 | 0 | 112.9 | L88 F89 S90 | L88-S92 PolarHBondContact O-N 3.02Å; F89-S92 WeakPolarHBondContact O-CB 3.16Å; F89-S92 PolarHBondContact O-N 2.85Å; F89-S92 VanDerWaalsContact O-N 3.09Å; F89-S92 PolarHBondContact O-OG 3.27Å; S90-S92 PolarHBondContact O-N 3.32Å |
| 93 | S | 96.3 | Very high | 90.3 | Very high | 37 Ų | 37 | 67.8 Ų | 67.8 | 26% | 0.259 | 40% | 0.399 | S | S | . | . | trans | -110.2 | 131.5 | 173.8 | -177 | 0 | 0 | 0 | 0 | 111.2 | E37 S90 K91 T95 S96 | E37-S93 WeakPolarHBondContact OE1-CB 3.29Å; E37-S93 PolarHBondContact OE1-OG 3.47Å; S90-S93 PolarHBondContact O-N 2.96Å; S90-S93 VanDerWaalsContact O-N 3.17Å; S90-S93 VanDerWaalsContact O-O 3.12Å; K91-S93 VanDerWaalsContact C-N 3.26Å; S93-T95 VanDerWaalsContact C-N 3.26Å; S93-T95 PolarHBondContact O-N 2.87Å; S93-T95 PolarHBondContact OG-N 3.12Å; S93-T95 PolarHBondContact OG-OG1 2.89Å; S93-S96 PolarHBondContact O-OG 2.75Å | ||
| 94 | V | 96.5 | Very high | 88.8 | Confident | 144 Ų | 144 | 69 Ų | 69 | 87% | 0.873 | 43% | 0.427 | S | S | * | . | S | Bend | trans | -70.4 | -23.5 | 175.8 | -63.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 95 | T | 96.1 | Very high | 86.7 | Confident | 62 Ų | 62 | 66.8 Ų | 66.8 | 38% | 0.38 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -88.2 | -13.9 | -178.9 | 39.8 | 0 | 0 | 0 | 0 | 113.5 | E37 S93 V97 A98 A99 | E37-T95 PolarHBondContact OE1-OG1 3Å; E37-T95 PolarHBondContact OE2-OG1 3.13Å; S93-T95 VanDerWaalsContact C-N 3.26Å; S93-T95 PolarHBondContact O-N 2.87Å; S93-T95 PolarHBondContact OG-N 3.12Å; S93-T95 PolarHBondContact OG-OG1 2.89Å; T95-V97 PolarHBondContact O-N 3.15Å; T95-A98 WeakPolarHBondContact O-CB 3.35Å; T95-A98 PolarHBondContact O-N 2.9Å; T95-A98 VanDerWaalsContact O-N 3.14Å; T95-A99 PolarHBondContact O-N 3.12Å |
| 96 | S | 93.5 | Very high | 84.1 | Confident | 5 Ų | 5 | 70.1 Ų | 70.1 | 4% | 0.035 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.9 | -42.2 | -174 | 64.9 | 0 | 0 | 0 | 0 | 114 | S90 S93 A99 V100 | S90-S96 WeakPolarHBondContact O-CB 3.25Å; S90-S96 PolarHBondContact O-OG 3.48Å; S93-S96 PolarHBondContact O-OG 2.75Å; S96-A99 WeakPolarHBondContact O-CB 3.09Å; S96-A99 PolarHBondContact O-N 3.33Å; S96-V100 WeakPolarHBondContact O-CG2 3.03Å; S96-V100 PolarHBondContact O-N 3.37Å |
| 97 | V | 92.1 | Very high | 81.7 | Confident | 101 Ų | 101 | 75.3 Ų | 75.3 | 61% | 0.612 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.5 | -44.1 | -179.8 | 178.4 | 0 | 0 | 0 | 0 | 110.2 | T95 A99 V100 C101 | T95-V97 PolarHBondContact O-N 3.15Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 2.97Å; V97-V100 PolarHBondContact O-N 3.33Å; V97-C101 VanDerWaalsContact O-CB 3.31Å; V97-C101 WeakPolarHBondContact O-CB 3.33Å; V97-C101 PolarHBondContact O-N 2.72Å; V97-C101 PolarHBondContact O-SG 2.95Å |
| 98 | A | 91.5 | Very high | 79.1 | Confident | 64 Ų | 64 | 81.4 Ų | 81.4 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -41.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | T95 V100 C101 A102 | T95-A98 WeakPolarHBondContact O-CB 3.35Å; T95-A98 PolarHBondContact O-N 2.9Å; T95-A98 VanDerWaalsContact O-N 3.14Å; A98-V100 VanDerWaalsContact C-N 3.33Å; A98-V100 PolarHBondContact O-N 3.19Å; A98-C101 PolarHBondContact O-N 3Å; A98-A102 WeakPolarHBondContact O-CB 3.26Å; A98-A102 PolarHBondContact O-N 2.79Å |
| 99 | A | 88.7 | Confident | 76.8 | Confident | 5 Ų | 5 | 84.5 Ų | 84.5 | 4% | 0.041 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -60.1 | -40.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | V34 E37 R38 T95 S96 V97 | V34-A99 HydrophobicContact CG1-CB 4.09Å; V34-A99 HydrophobicContact CG2-CB 4.5Å; E37-A99 HydrophobicContact CB-CB 3.96Å; E37-A99 WeakPolarHBondContact OE2-CB 3.31Å; R38-A99 PolarHBondContact NE-O 3.12Å; R38-A99 PolarHBondContact NH2-O 3.39Å; T95-A99 PolarHBondContact O-N 3.12Å; S96-A99 WeakPolarHBondContact O-CB 3.09Å; S96-A99 PolarHBondContact O-N 3.33Å; V97-A99 VanDerWaalsContact C-N 3.33Å; V97-A99 PolarHBondContact O-N 2.97Å |
| 100 | V | 87.3 | Confident | 74.3 | Confident | 40 Ų | 40 | 87.4 Ų | 87.4 | 24% | 0.242 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -74.6 | -44.1 | 177.8 | 176.9 | 0 | 0 | 0 | 0 | 111.4 | Y41 S96 V97 A98 A102 L103 | Y41-V100 HydrophobicContact CD1-CG1 4.15Å; Y41-V100 HydrophobicContact CD1-CG2 3.99Å; Y41-V100 HydrophobicContact CD2-CG2 3.79Å; Y41-V100 HydrophobicContact CE1-CG1 4Å; Y41-V100 HydrophobicContact CE2-CG1 4.49Å; Y41-V100 HydrophobicContact CE2-CG2 4.35Å; Y41-V100 HydrophobicContact CG-CG1 4.47Å; Y41-V100 HydrophobicContact CG-CG2 3.57Å; S96-V100 WeakPolarHBondContact O-CG2 3.03Å; S96-V100 PolarHBondContact O-N 3.37Å; V97-V100 PolarHBondContact O-N 3.33Å; A98-V100 VanDerWaalsContact C-N 3.33Å; A98-V100 PolarHBondContact O-N 3.19Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 3.4Å; V100-L103 PolarHBondContact O-N 3.04Å |
| 101 | C | 84.4 | Confident | 71.2 | Confident | 87 Ų | 87 | 94.4 Ų | 94.4 | 59% | 0.588 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -67 | -32.5 | 179.8 | -71.4 | 0 | 0 | 0 | 0 | 113.1 | V97 A98 L103 G104 | V97-C101 VanDerWaalsContact O-CB 3.31Å; V97-C101 WeakPolarHBondContact O-CB 3.33Å; V97-C101 PolarHBondContact O-N 2.72Å; V97-C101 PolarHBondContact O-SG 2.95Å; A98-C101 PolarHBondContact O-N 3Å; C101-L103 PolarHBondContact O-N 3.46Å; C101-G104 PolarHBondContact O-N 2.88Å |
| 102 | A | 72.6 | Confident | 68.5 | Low | 69 Ų | 69 | 96.6 Ų | 96.6 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63 | -6.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | A98 V100 | A98-A102 WeakPolarHBondContact O-CB 3.26Å; A98-A102 PolarHBondContact O-N 2.79Å; V100-A102 VanDerWaalsContact C-N 3.34Å; V100-A102 PolarHBondContact O-N 3.4Å |
| 103 | L | 59.3 | Low | 65.9 | Low | 125 Ų | 125 | 100.6 Ų | 100.6 | 65% | 0.654 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.5 | -14.4 | 172.4 | -161.2 | 60.8 | 0 | 0 | 0 | 113.1 | R38 V100 C101 G105 | R38-L103 VanDerWaalsContact NH1-CD1 3.31Å; V100-L103 PolarHBondContact O-N 3.04Å; C101-L103 PolarHBondContact O-N 3.46Å; L103-G105 PolarHBondContact O-N 3.49Å |
| 104 | G | 55.4 | Low | 63.2 | Low | 78 Ų | 78 | 109.8 Ų | 109.8 | 80% | 0.804 | 62% | 0.618 | S | S | * | * | S | Bend | trans | -76.3 | -1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C101 | C101-G104 PolarHBondContact O-N 2.88Š|
| 105 | G | 45.4 | Very low | 60.5 | Low | 46 Ų | 46 | 110.7 Ų | 110.7 | 47% | 0.474 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -148.9 | 126.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | L103 | L103-G105 PolarHBondContact O-N 3.49Š|
| 106 | I | 36 | Very low | 58.5 | Low | 129 Ų | 129 | 113.1 Ų | 113.1 | 66% | 0.662 | 63% | 0.63 | S | S | * | * | trans | 81.2 | 94.8 | 169 | -48.4 | -88.4 | 0 | 0 | 0 | 115.6 | D108 | I106-D108 VanDerWaalsContact C-N 3.35Å; I106-D108 HydrophobicContact CG2-CB 3.73Å; I106-D108 WeakPolarHBondContact CG2-OD2 3.49Å; I106-D108 PolarHBondContact O-N 3.05Å | ||
| 107 | P | 43.6 | Very low | 55.4 | Low | 130 Ų | 130 | 116.3 Ų | 116.3 | 84% | 0.844 | 66% | 0.664 | S | S | * | * | trans | -77.7 | 87.6 | 148.8 | 32.5 | -27.6 | 0 | 0 | 0 | 108.6 | H109 | P107-H109 VanDerWaalsContact C-N 3.27Å; P107-H109 PolarHBondContact O-N 2.95Å | ||
| 108 | D | 40.8 | Very low | 52.7 | Low | 147 Ų | 147 | 117.3 Ų | 117.3 | 79% | 0.786 | 68% | 0.675 | S | S | * | * | trans | -79.5 | 84.1 | 165.8 | -98.8 | -24.1 | 0 | 0 | 0 | 108.5 | I106 | I106-D108 VanDerWaalsContact C-N 3.35Å; I106-D108 HydrophobicContact CG2-CB 3.73Å; I106-D108 WeakPolarHBondContact CG2-OD2 3.49Å; I106-D108 PolarHBondContact O-N 3.05Å | ||
| 109 | H | 48.1 | Very low | 49.8 | Very low | 163 Ų | 163 | 117.1 Ų | 117.1 | 76% | 0.755 | 68% | 0.679 | S | S | * | * | trans | -133.6 | 65.2 | 160.9 | -171.2 | -86.9 | 0 | 0 | 0 | 109.2 | P107 | P107-H109 VanDerWaalsContact C-N 3.27Å; P107-H109 PolarHBondContact O-N 2.95Å | ||
| 110 | M | 43.2 | Very low | 47.2 | Very low | 170 Ų | 170 | 122.4 Ų | 122.4 | 84% | 0.837 | 71% | 0.711 | S | S | * | * | trans | -145.8 | 115.3 | 164.3 | -76.1 | -79.9 | 93 | 0 | 0 | 110.6 | ||||
| 111 | N | 31.7 | Very low | 44.8 | Very low | 155 Ų | 155 | 128.2 Ų | 128.2 | 83% | 0.829 | 74% | 0.736 | S | S | * | * | trans | 100.4 | 97.6 | 143.7 | -150.7 | 28.6 | 0 | 0 | 0 | 120 | ||||
| 112 | E | 39.7 | Very low | 42.6 | Very low | 172 Ų | 172 | 128.7 Ų | 128.7 | 80% | 0.804 | 74% | 0.74 | S | S | * | * | trans | -65 | 116.3 | 152.5 | 179.8 | -170.8 | 166.4 | 0 | 0 | 111.2 | ||||
| 113 | K | 40.7 | Very low | 40.8 | Very low | 183 Ų | 183 | 132.4 Ų | 132.4 | 80% | 0.796 | 75% | 0.75 | S | S | * | * | trans | 167.2 | 118.5 | 138.1 | -96.8 | 176 | -176.5 | -74.2 | 0 | 112.9 | ||||
| 114 | R | 40.7 | Very low | 39.6 | Very low | 231 Ų | 231 | 133 Ų | 133 | 87% | 0.872 | 76% | 0.759 | S | S | * | * | trans | 5.3 | 145.5 | 133.9 | -74.4 | -169.2 | -159.9 | 161.4 | 6.5 | 116.8 | ||||
| 115 | E | 39.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 76% | 0.757 | 76% | 0.759 | S | S | * | * | cis | -176.4 | -172.8 | 18 | -117.8 | -44.9 | 98 | 0 | 0 | 106.7 | ||||
| 116 | P | 53.3 | Low | 38.8 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | trans | -106.2 | 174.1 | -136.6 | 43.6 | -29.6 | 0 | 0 | 0 | 114.6 | ||||
| 117 | G | 29.9 | Very low | 38.4 | Very low | 73 Ų | 73 | 138.8 Ų | 138.8 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 159 | 143.6 | 156.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 118 | S | 33.9 | Very low | 38.3 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 85% | 0.853 | 77% | 0.774 | S | S | * | * | trans | 82.3 | 106.5 | 166.3 | -149.7 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 119 | G | 32 | Very low | 38.2 | Very low | 59 Ų | 59 | 141.5 Ų | 141.5 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | 73 | 112.3 | 55.5 | 0 | 0 | 0 | 0 | 0 | 106.9 | |||||
| 120 | T | 33.9 | Very low | 37.5 | Very low | 116 Ų | 116 | 140.1 Ų | 140.1 | 71% | 0.712 | 78% | 0.776 | S | S | * | * | -172.9 | 146 | 59.9 | 29.6 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 121 | E | 35.9 | Very low | 37.3 | Very low | 163 Ų | 163 | 141.5 Ų | 141.5 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | 63 | 134.3 | 113.8 | 98.7 | -165.9 | 105.4 | 0 | 0 | 114.2 | |||||
| 122 | S | 38.8 | Very low | 37.2 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 67% | 0.671 | 78% | 0.776 | S | S | * | * | cis | -164 | 142.3 | 13.5 | -68.9 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 123 | D | 35.3 | Very low | 36.9 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 79% | 0.791 | 78% | 0.781 | S | S | * | * | 61 | 118.9 | 107.3 | -147.9 | -7.4 | 0 | 0 | 0 | 116.6 | |||||
| 124 | T | 32.9 | Very low | 36.7 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 83% | 0.834 | 78% | 0.78 | S | S | * | * | trans | 155.2 | 105.4 | 138 | 43.5 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 125 | S | 33.6 | Very low | 36.7 | Very low | 114 Ų | 114 | 134.4 Ų | 134.4 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -71.2 | 173.4 | 150.6 | -61.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 126 | P | 51.8 | Low | 36.2 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | cis | -130.5 | -179.1 | 11.5 | 37 | -14.7 | 0 | 0 | 0 | 112.2 | ||||
| 127 | D | 27.3 | Very low | 35.4 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 77% | 0.771 | S | S | * | * | 179.6 | 148.3 | 94.4 | -169.5 | 27.8 | 0 | 0 | 0 | 111 | |||||
| 128 | L | 41.2 | Very low | 35.5 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -83.4 | 142.6 | -176.4 | -66.6 | 161.7 | 0 | 0 | 0 | 110.7 | ||||
| 129 | Q | 38.6 | Very low | 35.3 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 87% | 0.869 | 76% | 0.759 | S | S | * | * | trans | -151.5 | 94.7 | 146.7 | -113.1 | 158 | 30.7 | 0 | 0 | 111 | ||||
| 130 | N | 33.4 | Very low | 35.4 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | trans | -53.6 | 135.1 | 154.6 | -97.8 | -21.4 | 0 | 0 | 0 | 109.5 | E132 | N130-E132 HydrophobicContact CB-CG 4.43Š| ||
| 131 | Q | 39 | Very low | 35.5 | Very low | 199 Ų | 199 | 142.5 Ų | 142.5 | 93% | 0.93 | 77% | 0.765 | S | S | * | * | trans | -134.7 | 106.4 | 150.5 | -141.3 | 169.9 | 86 | 0 | 0 | 108.6 | ||||
| 132 | E | 30 | Very low | 35.5 | Very low | 157 Ų | 157 | 141.8 Ų | 141.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | trans | -78.4 | 139 | 179.5 | -47.9 | 172.5 | 138.6 | 0 | 0 | 107.6 | N130 | N130-E132 HydrophobicContact CB-CG 4.43Š| ||
| 133 | N | 33.3 | Very low | 35.6 | Very low | 168 Ų | 168 | 141 Ų | 141 | 90% | 0.898 | 77% | 0.766 | S | S | * | * | trans | -157.2 | 117 | 141.4 | -146.2 | 48.5 | 0 | 0 | 0 | 111 | ||||
| 134 | E | 36 | Very low | 35.3 | Very low | 168 Ų | 168 | 142.1 Ų | 142.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 166.5 | 177.3 | -90.3 | -79.6 | 116 | 0 | 0 | 113.1 | ||||
| 135 | P | 40.3 | Very low | 35.1 | Very low | 100 Ų | 100 | 138.6 Ų | 138.6 | 65% | 0.649 | 76% | 0.762 | S | S | * | * | trans | -92.7 | 167.7 | -175.6 | 37.6 | -28.9 | 0 | 0 | 0 | 113 | ||||
| 136 | S | 30 | Very low | 35.3 | Very low | 110 Ų | 110 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -144.3 | 115.1 | 167.9 | -45.6 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 137 | Q | 36.9 | Very low | 34.6 | Very low | 163 Ų | 163 | 139.8 Ų | 139.8 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | 46.4 | 133.2 | 93.5 | -84.1 | -176 | -52.8 | 0 | 0 | 112.5 | |||||
| 138 | E | 31.8 | Very low | 35.1 | Very low | 134 Ų | 134 | 141.9 Ų | 141.9 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | cis | -173.7 | 170 | 23.7 | -130.3 | 162.8 | -166.1 | 0 | 0 | 108.5 | ||||
| 139 | D | 29.7 | Very low | 34.6 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 74.4 | 140.1 | 143.5 | -71.8 | -8.2 | 0 | 0 | 0 | 120.2 | ||||
| 140 | T | 33.9 | Very low | 34.6 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 66% | 0.663 | 76% | 0.763 | S | S | * | * | cis | -158.8 | 157.5 | 10.9 | -60.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 141 | E | 35.3 | Very low | 34.7 | Very low | 164 Ų | 164 | 142.1 Ų | 142.1 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | trans | -24.5 | 178.7 | 164.4 | -52.1 | 172.6 | 162.5 | 0 | 0 | 122.5 | ||||
| 142 | D | 35.5 | Very low | 35 | Very low | 147 Ų | 147 | 136.8 Ų | 136.8 | 79% | 0.786 | 75% | 0.752 | S | S | * | * | trans | 98.8 | 138 | 163.6 | -56.9 | -47.8 | 0 | 0 | 0 | 117.8 | ||||
| 143 | A | 40.9 | Very low | 35.1 | Very low | 81 Ų | 81 | 137.7 Ų | 137.7 | 67% | 0.669 | 76% | 0.756 | S | S | * | * | cis | -174.9 | 155.8 | -18.4 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 144 | D | 30.4 | Very low | 35 | Very low | 170 Ų | 170 | 138.9 Ų | 138.9 | 91% | 0.909 | 75% | 0.754 | S | S | * | * | trans | 42.1 | 134.7 | 152.7 | -90.8 | -48.9 | 0 | 0 | 0 | 121.1 | ||||
| 145 | G | 28.7 | Very low | 34.8 | Very low | 62 Ų | 62 | 134.9 Ų | 134.9 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | cis | 142.5 | 173.7 | 33.2 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 146 | A | 36.6 | Very low | 34.4 | Very low | 103 Ų | 103 | 134.6 Ų | 134.6 | 85% | 0.851 | 76% | 0.756 | S | S | * | * | trans | 90.8 | 80.4 | 168.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 147 | L | 37 | Very low | 34.7 | Very low | 154 Ų | 154 | 134.9 Ų | 134.9 | 81% | 0.806 | 76% | 0.758 | S | S | * | * | trans | -48.9 | 134.4 | 140.5 | -177.9 | 94.7 | 0 | 0 | 0 | 113.6 | ||||
| 148 | Q | 39.1 | Very low | 34.5 | Very low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | trans | -155.3 | 103.6 | 146.6 | -59.4 | -171.1 | 9.4 | 0 | 0 | 105.5 | ||||
| 149 | D | 30.7 | Very low | 34.5 | Very low | 126 Ų | 126 | 130.8 Ų | 130.8 | 67% | 0.674 | 76% | 0.762 | S | S | * | * | 71.7 | 131.7 | 61.3 | -144.1 | 12 | 0 | 0 | 0 | 115.7 | |||||
| 150 | L | 38.2 | Very low | 34.7 | Very low | 151 Ų | 151 | 130 Ų | 130 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | 87.3 | 97.5 | 162.2 | -47.2 | 179.8 | 0 | 0 | 0 | 122.5 | ||||
| 151 | K | 35 | Very low | 34.7 | Very low | 196 Ų | 196 | 128.9 Ų | 128.9 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -37 | 177.1 | 138.8 | 176 | 168.8 | 169.5 | -178.3 | 0 | 114.6 | ||||
| 152 | P | 44.9 | Very low | 34.7 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 57% | 0.565 | 77% | 0.772 | S | S | * | * | cis | -139.9 | 174.4 | 4 | 13.3 | 15.7 | 0 | 0 | 0 | 119.5 | ||||
| 153 | Q | 31.6 | Very low | 34.8 | Very low | 176 Ų | 176 | 126.1 Ų | 126.1 | 82% | 0.822 | 77% | 0.769 | S | S | * | * | trans | 64.9 | 144.4 | 142.7 | -68.4 | 172.5 | -76.7 | 0 | 0 | 118.8 | ||||
| 154 | K | 32.2 | Very low | 34.8 | Very low | 193 Ų | 193 | 131.7 Ų | 131.7 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | cis | -171.5 | 149.3 | 39 | -160.2 | -176.4 | 179.9 | -177.9 | 0 | 110.7 | ||||
| 155 | A | 31.3 | Very low | 35.1 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | 29.7 | 129.1 | 148.1 | 0 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 156 | A | 32.6 | Very low | 35.6 | Very low | 95 Ų | 95 | 130 Ų | 130 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | 76.3 | 130.8 | 125.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 157 | S | 35.4 | Very low | 36.1 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | 103 | 123.7 | 140.1 | 81.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 158 | S | 33 | Very low | 36.6 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | -8.6 | 138 | 156.5 | 55.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 159 | S | 32 | Very low | 37.2 | Very low | 108 Ų | 108 | 137.3 Ų | 137.3 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | 150.9 | 139 | 99.5 | 57.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 160 | S | 35.2 | Very low | 38.4 | Very low | 120 Ų | 120 | 143.3 Ų | 143.3 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | 31.1 | 127.9 | 152.2 | 59 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 161 | G | 32.5 | Very low | 38.8 | Very low | 84 Ų | 84 | 144.4 Ų | 144.4 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | 171.5 | 139.8 | 157.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 162 | S | 35.2 | Very low | 39.5 | Very low | 95 Ų | 95 | 141.9 Ų | 141.9 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -105 | 161.5 | -155.7 | -154.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 163 | H | 39.2 | Very low | 39.8 | Very low | 158 Ų | 158 | 144 Ų | 144 | 73% | 0.731 | 80% | 0.798 | S | S | * | * | trans | 60.8 | 125.1 | 159.6 | -55.3 | -61.3 | 0 | 0 | 0 | 121.7 | ||||
| 164 | H | 40.7 | Very low | 40.6 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 92% | 0.917 | 79% | 0.789 | S | S | * | * | -179.2 | 141.3 | 116.7 | -89.1 | -56.2 | 0 | 0 | 0 | 113.2 | |||||
| 165 | G | 35.5 | Very low | 41.2 | Very low | 75 Ų | 75 | 141.7 Ų | 141.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | 85.1 | 99.8 | 128.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 166 | S | 40.8 | Very low | 41.9 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | -59.7 | 127.5 | 162.6 | 48.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 167 | H | 46.4 | Very low | 42.2 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 89% | 0.889 | 78% | 0.781 | S | S | * | * | trans | -143 | 125.8 | 158.2 | -125.6 | -68.6 | 0 | 0 | 0 | 112.3 | ||||
| 168 | K | 47.2 | Very low | 42.7 | Very low | 198 Ų | 198 | 145.6 Ų | 145.6 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | -65.4 | 130.1 | 177.5 | -70.7 | 170.3 | 177.4 | 165.7 | 0 | 111.2 | ||||
| 169 | K | 51.6 | Low | 43.2 | Very low | 206 Ų | 206 | 145.9 Ų | 145.9 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | trans | -142.2 | 118 | 143.7 | -81.1 | -157.1 | 176.7 | -179.8 | 0 | 111.1 | K171 | K169-K171 PolarHBondContact O-N 2.97Š| ||
| 170 | R | 55.3 | Low | 44.1 | Very low | 253 Ų | 253 | 144.7 Ų | 144.7 | 96% | 0.955 | 78% | 0.78 | S | S | * | * | trans | -51.1 | 121 | 163.2 | -69.2 | 159.5 | 64.2 | -176.7 | 0.4 | 108 | ||||
| 171 | K | 47.9 | Very low | 44.9 | Very low | 173 Ų | 173 | 147.3 Ų | 147.3 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -114.9 | 94.5 | 167 | -163.7 | 158.7 | -175.7 | 168.3 | 0 | 108.4 | K169 K173 | K169-K171 PolarHBondContact O-N 2.97Å; K171-K173 HydrophobicContact CG-CG 4.27Å; K171-K173 PolarHBondContact O-N 3.26Å | ||
| 172 | N | 49.5 | Very low | 45.6 | Very low | 143 Ų | 143 | 153 Ų | 153 | 77% | 0.765 | 78% | 0.783 | S | S | * | * | trans | -53.9 | 114.9 | 159.8 | 179.9 | 14.7 | 0 | 0 | 0 | 107.6 | N174 | N172-N174 PolarHBondContact OD1-N 2.97Š| ||
| 173 | K | 50.2 | Low | 45.7 | Very low | 132 Ų | 132 | 156.2 Ų | 156.2 | 57% | 0.574 | 79% | 0.787 | S | S | * | * | trans | -113.3 | 78.9 | 167.4 | -74.9 | -179.5 | -176 | 161.7 | 0 | 106.7 | K171 R175 | K171-K173 HydrophobicContact CG-CG 4.27Å; K171-K173 PolarHBondContact O-N 3.26Å; K173-R175 HydrophobicContact CB-CG 4.36Å; K173-R175 PolarHBondContact O-N 3.23Å | ||
| 174 | N | 48.7 | Very low | 45.5 | Very low | 118 Ų | 118 | 159.2 Ų | 159.2 | 63% | 0.631 | 79% | 0.793 | S | S | * | * | trans | -64.1 | 75 | 149 | -163.8 | 49.8 | 0 | 0 | 0 | 107.2 | N172 H176 | N172-N174 PolarHBondContact OD1-N 2.97Å; N174-H176 VanDerWaalsContact C-N 3.33Å; N174-H176 PolarHBondContact ND2-CE1 3.19Å; N174-H176 VanDerWaalsContact ND2-CE1 3.29Å; N174-H176 PolarHBondContact ND2-ND1 3.1Å; N174-H176 VanDerWaalsContact ND2-ND1 3.17Å; N174-H176 PolarHBondContact O-N 3.13Å | ||
| 175 | R | 44.3 | Very low | 45.4 | Very low | 203 Ų | 203 | 156.2 Ų | 156.2 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -79.3 | 93.1 | 166.9 | -89.4 | -179.6 | 172.1 | -174.6 | -5.5 | 105.6 | K173 S177 | K173-R175 HydrophobicContact CB-CG 4.36Å; K173-R175 PolarHBondContact O-N 3.23Å; R175-S177 VanDerWaalsContact C-N 3.3Å; R175-S177 PolarHBondContact O-N 2.91Å | ||
| 176 | H | 46.6 | Very low | 45.4 | Very low | 155 Ų | 155 | 161.5 Ų | 161.5 | 72% | 0.718 | 79% | 0.786 | S | S | * | * | trans | -57.2 | 106.5 | 148.6 | -81.6 | 79.9 | 0 | 0 | 0 | 106 | N174 P178 | N174-H176 VanDerWaalsContact C-N 3.33Å; N174-H176 PolarHBondContact ND2-CE1 3.19Å; N174-H176 VanDerWaalsContact ND2-CE1 3.29Å; N174-H176 PolarHBondContact ND2-ND1 3.1Å; N174-H176 VanDerWaalsContact ND2-ND1 3.17Å; N174-H176 PolarHBondContact O-N 3.13Å; H176-P178 WeakPolarHBondContact O-CD 3.28Å | ||
| 177 | S | 39.6 | Very low | 45.1 | Very low | 96 Ų | 96 | 164 Ų | 164 | 67% | 0.671 | 78% | 0.784 | S | S | * | * | trans | -78.8 | 113.8 | 162.9 | 178.1 | 0 | 0 | 0 | 0 | 105.9 | R175 S179 | R175-S177 VanDerWaalsContact C-N 3.3Å; R175-S177 PolarHBondContact O-N 2.91Å; S177-S179 PolarHBondContact O-N 3.15Å | ||
| 178 | P | 45.9 | Very low | 44.8 | Very low | 125 Ų | 125 | 159.2 Ų | 159.2 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -80.3 | 77.5 | 164.3 | 33.8 | -27.2 | 0 | 0 | 0 | 106.2 | H176 A180 | H176-P178 WeakPolarHBondContact O-CD 3.28Å; P178-A180 VanDerWaalsContact C-N 3.27Å | ||
| 179 | S | 42.2 | Very low | 44.1 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -102.4 | 59.8 | 159.7 | -170.8 | 0 | 0 | 0 | 0 | 107.4 | S177 | S177-S179 PolarHBondContact O-N 3.15Š| ||
| 180 | A | 51 | Low | 43.6 | Very low | 83 Ų | 83 | 150 Ų | 150 | 69% | 0.686 | 76% | 0.757 | S | S | * | * | trans | -128.2 | 71.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 106.5 | P178 | P178-A180 VanDerWaalsContact C-N 3.27Š| ||
| 181 | M | 52.8 | Low | 42.8 | Very low | 175 Ų | 175 | 145.6 Ų | 145.6 | 86% | 0.862 | 75% | 0.752 | S | S | * | * | trans | -139.7 | 33.7 | 169 | -95.3 | -117.4 | -106.2 | 0 | 0 | 110.5 | ||||
| 182 | F | 46.8 | Very low | 42.4 | Very low | 205 Ų | 205 | 144.3 Ų | 144.3 | 90% | 0.899 | 75% | 0.753 | S | S | * | * | trans | -140 | 53 | 154.4 | -64 | -69.3 | 0 | 0 | 0 | 108 | ||||
| 183 | H | 37.9 | Very low | 42.4 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 75% | 0.745 | 75% | 0.75 | S | S | * | * | trans | -106.6 | 86 | 155.7 | -141.3 | -125.3 | 0 | 0 | 0 | 103.6 | D185 | H183-D185 PolarHBondContact O-N 3.48Š| ||
| 184 | Y | 35.7 | Very low | 41.9 | Very low | 222 Ų | 222 | 142.1 Ų | 142.1 | 87% | 0.871 | 76% | 0.758 | S | S | * | * | trans | -70.1 | 118 | 156.9 | -109.8 | -88.8 | 0 | 0 | 0 | 104.7 | F186 | Y184-F186 PolarHBondContact O-N 3.04Š| ||
| 185 | D | 37.4 | Very low | 41.6 | Very low | 135 Ų | 135 | 145.3 Ų | 145.3 | 72% | 0.722 | 77% | 0.771 | S | S | * | * | trans | -56.4 | 103.1 | 173.9 | -66.6 | -55.2 | 0 | 0 | 0 | 109.4 | H183 | H183-D185 PolarHBondContact O-N 3.48Š| ||
| 186 | F | 36.1 | Very low | 41.8 | Very low | 186 Ų | 186 | 144.7 Ų | 144.7 | 82% | 0.816 | 77% | 0.774 | S | S | * | * | trans | -89.8 | 91.1 | 155.7 | -175.3 | -99.9 | 0 | 0 | 0 | 106 | Y184 S188 | Y184-F186 PolarHBondContact O-N 3.04Å; F186-S188 PolarHBondContact O-N 2.6Å; F186-S188 VanDerWaalsContact O-N 3.15Å | ||
| 187 | E | 34.1 | Very low | 41.8 | Very low | 175 Ų | 175 | 147.4 Ų | 147.4 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -56.4 | 114.1 | 177.1 | -119.5 | 170.3 | 162 | 0 | 0 | 110.9 | ||||
| 188 | S | 39.8 | Very low | 41.8 | Very low | 91 Ų | 91 | 148 Ų | 148 | 64% | 0.636 | 79% | 0.788 | S | S | * | * | trans | 47.2 | 86.8 | 136.7 | -160.4 | 0 | 0 | 0 | 0 | 118.7 | F186 S190 | F186-S188 PolarHBondContact O-N 2.6Å; F186-S188 VanDerWaalsContact O-N 3.15Å; S188-S190 PolarHBondContact O-N 3.2Å; S188-S190 VanDerWaalsContact OG-CB 3.22Å; S188-S190 WeakPolarHBondContact OG-CB 3.24Å; S188-S190 PolarHBondContact OG-N 3.4Å | ||
| 189 | C | 33.5 | Very low | 41.8 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 86% | 0.858 | 79% | 0.789 | S | S | * | * | trans | -83.5 | 70.1 | 134.5 | -82.4 | 0 | 0 | 0 | 0 | 108.5 | L191 | C189-L191 PolarHBondContact O-N 3.12Š| ||
| 190 | S | 41.2 | Very low | 41.9 | Very low | 84 Ų | 84 | 149.3 Ų | 149.3 | 59% | 0.587 | 79% | 0.792 | S | S | * | * | trans | -75.5 | 96.4 | 163.1 | 170.8 | 0 | 0 | 0 | 0 | 108.8 | S188 | S188-S190 PolarHBondContact O-N 3.2Å; S188-S190 VanDerWaalsContact OG-CB 3.22Å; S188-S190 WeakPolarHBondContact OG-CB 3.24Å; S188-S190 PolarHBondContact OG-N 3.4Å | ||
| 191 | L | 36.8 | Very low | 41.8 | Very low | 160 Ų | 160 | 151.2 Ų | 151.2 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -120.6 | 97.8 | 153.1 | -127.5 | 91 | 0 | 0 | 0 | 108.2 | C189 | C189-L191 PolarHBondContact O-N 3.12Š| ||
| 192 | N | 40.9 | Very low | 41.4 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 78% | 0.775 | 79% | 0.792 | S | S | * | * | trans | -93.5 | 136.8 | 151.3 | -76.5 | -58.7 | 0 | 0 | 0 | 107.3 | ||||
| 193 | P | 49.6 | Very low | 41.5 | Very low | 107 Ų | 107 | 147 Ų | 147 | 70% | 0.695 | 79% | 0.791 | S | S | * | * | -125 | 122.6 | 125.1 | 24 | -10.4 | 0 | 0 | 0 | 112.1 | M195 | P193-M195 PolarHBondContact O-N 3.18Š| |||
| 194 | V | 40 | Very low | 41.7 | Very low | 123 Ų | 123 | 148.8 Ų | 148.8 | 75% | 0.745 | 80% | 0.802 | S | S | * | * | trans | -16.9 | 107 | 150.6 | 174.4 | 0 | 0 | 0 | 0 | 113.5 | K196 | V194-K196 HydrophobicContact CG1-CG 4.14Å; V194-K196 PolarHBondContact O-N 3.08Å | ||
| 195 | M | 42.5 | Very low | 42 | Very low | 185 Ų | 185 | 149.5 Ų | 149.5 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -78.6 | 106.5 | 157.3 | -66.4 | -173.8 | 85.4 | 0 | 0 | 108.3 | P193 K197 | P193-M195 PolarHBondContact O-N 3.18Å; M195-K197 PolarHBondContact O-N 2.76Å | ||
| 196 | K | 47.4 | Very low | 41.9 | Very low | 189 Ų | 189 | 155.3 Ų | 155.3 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -60.9 | 122.3 | 168.7 | -66.5 | 177.1 | 179.6 | 176.7 | 0 | 108.5 | V194 S198 | V194-K196 HydrophobicContact CG1-CG 4.14Å; V194-K196 PolarHBondContact O-N 3.08Å; K196-S198 PolarHBondContact O-N 2.83Å; K196-S198 VanDerWaalsContact O-N 3.16Å | ||
| 197 | K | 47 | Very low | 42.2 | Very low | 213 Ų | 213 | 149.5 Ų | 149.5 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -62.8 | 108.2 | 167.1 | -69.7 | 173.9 | 178.8 | 174.8 | 0 | 108.4 | M195 | M195-K197 PolarHBondContact O-N 2.76Š| ||
| 198 | S | 39.2 | Very low | 43.2 | Very low | 109 Ų | 109 | 146 Ų | 146 | 76% | 0.762 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 120.4 | 161.3 | 49.3 | 0 | 0 | 0 | 0 | 108.7 | K196 L200 | K196-S198 PolarHBondContact O-N 2.83Å; K196-S198 VanDerWaalsContact O-N 3.16Å; S198-L200 PolarHBondContact O-N 3.22Å |
| 199 | A | 47 | Very low | 43.5 | Very low | 100 Ų | 100 | 150.7 Ų | 150.7 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 124.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 200 | L | 42.9 | Very low | 44.4 | Very low | 160 Ų | 160 | 156.1 Ų | 156.1 | 84% | 0.838 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -89.7 | 138 | 164.5 | -69.4 | 170.5 | 0 | 0 | 0 | 108.9 | S198 | S198-L200 PolarHBondContact O-N 3.22Š|
| 201 | P | 48.4 | Very low | 44.5 | Very low | 123 Ų | 123 | 161.7 Ų | 161.7 | 80% | 0.799 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 133.4 | -174.9 | 26.6 | -33 | 0 | 0 | 0 | 112.2 | ||
| 202 | A | 46 | Very low | 45.4 | Very low | 91 Ų | 91 | 159.8 Ų | 159.8 | 75% | 0.752 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -68.9 | 129.4 | 169 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 203 | K | 49.1 | Very low | 45.9 | Very low | 201 Ų | 201 | 160.3 Ų | 160.3 | 87% | 0.874 | 83% | 0.827 | S | S | * | * | trans | 157.7 | 108.8 | 132.9 | -85.9 | 162.6 | -176.3 | -178.4 | 0 | 109.4 | ||||
| 204 | M | 41.4 | Very low | 46.3 | Very low | 198 Ų | 198 | 163.8 Ų | 163.8 | 98% | 0.975 | 83% | 0.832 | S | S | * | * | trans | -148.3 | 137.9 | 142.1 | -108.1 | 169.5 | -163.5 | 0 | 0 | 110.5 | ||||
| 205 | R | 42.4 | Very low | 47.3 | Very low | 237 Ų | 237 | 163.5 Ų | 163.5 | 89% | 0.894 | 83% | 0.83 | S | S | * | * | trans | -73.9 | 140.1 | -157.7 | 176.2 | 168.3 | 65.4 | -144.7 | 5 | 111.8 | G207 | R205-G207 PolarHBondContact O-N 3.19Å; R205-G207 VanDerWaalsContact O-N 3.15Å | ||
| 206 | W | 34.7 | Very low | 47.7 | Very low | 258 Ų | 258 | 161.5 Ų | 161.5 | 98% | 0.977 | 82% | 0.823 | S | S | * | * | trans | -59 | 112.1 | 171.4 | -68 | 78.8 | 0 | 0 | 0 | 110.2 | ||||
| 207 | G | 42 | Very low | 48.3 | Very low | 64 Ų | 64 | 161.1 Ų | 161.1 | 66% | 0.66 | 82% | 0.821 | S | S | * | * | trans | -111.3 | 104.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | R205 H209 | R205-G207 PolarHBondContact O-N 3.19Å; R205-G207 VanDerWaalsContact O-N 3.15Å; G207-H209 PolarHBondContact O-N 3.06Å | ||
| 208 | A | 55.6 | Low | 49 | Very low | 102 Ų | 102 | 159.6 Ų | 159.6 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -65.4 | 112.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 209 | H | 47 | Very low | 50.2 | Low | 188 Ų | 188 | 160.5 Ų | 160.5 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | trans | -111.6 | 103.8 | 161.1 | -96 | -94 | 0 | 0 | 0 | 108.8 | G207 F211 | G207-H209 PolarHBondContact O-N 3.06Å; H209-F211 PolarHBondContact O-N 3.4Å | ||
| 210 | R | 50.9 | Low | 50.3 | Low | 242 Ų | 242 | 166.6 Ų | 166.6 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -53.3 | 119.1 | 164.3 | -89.9 | -179.4 | -84 | -98.2 | -0.6 | 108.5 | D212 | R210-D212 PolarHBondContact O-N 3.46Š| ||
| 211 | F | 44.4 | Very low | 51.2 | Low | 201 Ų | 201 | 163.1 Ų | 163.1 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | trans | -82.4 | 105.8 | 165.1 | -151 | -97.1 | 0 | 0 | 0 | 107.3 | H209 M213 | H209-F211 PolarHBondContact O-N 3.4Å; F211-M213 PolarHBondContact O-N 2.81Å | ||
| 212 | D | 54.4 | Low | 51.6 | Low | 120 Ų | 120 | 164.5 Ų | 164.5 | 64% | 0.642 | 81% | 0.814 | S | S | * | * | trans | -73.8 | 106.4 | 175 | -171.7 | -11.9 | 0 | 0 | 0 | 108.6 | R210 K214 | R210-D212 PolarHBondContact O-N 3.46Å; D212-K214 PolarHBondContact O-N 2.93Å | ||
| 213 | M | 52.2 | Low | 51.7 | Low | 155 Ų | 155 | 170.7 Ų | 170.7 | 76% | 0.764 | 82% | 0.82 | S | S | * | * | trans | -72.2 | 92.2 | 170.5 | -76.3 | 178.5 | 65.3 | 0 | 0 | 108.9 | F211 V215 | F211-M213 PolarHBondContact O-N 2.81Å; M213-V215 PolarHBondContact O-N 3.35Å | ||
| 214 | K | 57.8 | Low | 52.1 | Low | 181 Ų | 181 | 166.5 Ų | 166.5 | 79% | 0.787 | 82% | 0.816 | S | S | * | * | trans | -64.8 | 96.8 | 164.7 | -86.7 | 159 | 177.8 | 166.3 | 0 | 109.6 | D212 N216 | D212-K214 PolarHBondContact O-N 2.93Å; K214-N216 PolarHBondContact O-N 2.84Å | ||
| 215 | V | 60.7 | Low | 52.6 | Low | 116 Ų | 116 | 167.3 Ų | 167.3 | 70% | 0.703 | 83% | 0.832 | S | S | * | * | trans | -65.1 | 99.7 | 168.2 | -173.3 | 0 | 0 | 0 | 0 | 107.8 | M213 K217 | M213-V215 PolarHBondContact O-N 3.35Å; V215-K217 VanDerWaalsContact C-N 3.3Å; V215-K217 HydrophobicContact CG1-CG 4.33Å; V215-K217 PolarHBondContact O-N 2.64Å | ||
| 216 | N | 51.6 | Low | 53.1 | Low | 143 Ų | 143 | 163.8 Ų | 163.8 | 77% | 0.765 | 83% | 0.829 | S | S | * | * | trans | -74 | 86.2 | 172.1 | -163.3 | 1.7 | 0 | 0 | 0 | 108.9 | K214 K218 | K214-N216 PolarHBondContact O-N 2.84Å; N216-K218 PolarHBondContact O-N 3.3Å; N216-K218 VanDerWaalsContact O-N 3.13Å | ||
| 217 | K | 58.8 | Low | 54.1 | Low | 182 Ų | 182 | 158.8 Ų | 158.8 | 79% | 0.791 | 82% | 0.821 | S | S | * | * | trans | -70.6 | 97.5 | 168.9 | -92.6 | 179.9 | 175.6 | 175.9 | 0 | 108.6 | V215 | V215-K217 VanDerWaalsContact C-N 3.3Å; V215-K217 HydrophobicContact CG1-CG 4.33Å; V215-K217 PolarHBondContact O-N 2.64Å | ||
| 218 | K | 62.2 | Low | 54.7 | Low | 181 Ų | 181 | 164.1 Ų | 164.1 | 79% | 0.787 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 129.9 | 159.7 | -72.1 | -179 | 177.5 | -179 | 0 | 108.5 | N216 R220 | N216-K218 PolarHBondContact O-N 3.3Å; N216-K218 VanDerWaalsContact O-N 3.13Å; K218-R220 PolarHBondContact O-N 3.25Å |
| 219 | P | 63.9 | Low | 54.7 | Low | 128 Ų | 128 | 167.8 Ų | 167.8 | 83% | 0.831 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 131.6 | 172.8 | 26.2 | -30.9 | 0 | 0 | 0 | 110.2 | A221 | P219-A221 PolarHBondContact O-N 3.04Š|
| 220 | R | 50.1 | Low | 55.2 | Low | 228 Ų | 228 | 166.5 Ų | 166.5 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 116 | 170 | -174.2 | 179.2 | -178.1 | -176 | -1.2 | 107 | K218 D222 | K218-R220 PolarHBondContact O-N 3.25Å; R220-D222 PolarHBondContact O-N 3.38Å |
| 221 | A | 62.2 | Low | 55.4 | Low | 87 Ų | 87 | 161.5 Ų | 161.5 | 72% | 0.719 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 116.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | P219 Y223 | P219-A221 PolarHBondContact O-N 3.04Å; A221-Y223 PolarHBondContact O-N 3.37Å |
| 222 | D | 56.8 | Low | 56.2 | Low | 151 Ų | 151 | 158.6 Ų | 158.6 | 81% | 0.807 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 124.8 | 168.6 | -64.8 | -39.6 | 0 | 0 | 0 | 108.5 | R220 | R220-D222 PolarHBondContact O-N 3.38Š|
| 223 | Y | 47.5 | Very low | 56.4 | Low | 222 Ų | 222 | 161.6 Ų | 161.6 | 87% | 0.871 | 83% | 0.83 | S | S | * | * | trans | -111.4 | 114 | 160.7 | 54.9 | -90.2 | 0 | 0 | 0 | 107.4 | A221 | A221-Y223 PolarHBondContact O-N 3.37Š| ||
| 224 | S | 57.2 | Low | 56.7 | Low | 113 Ų | 113 | 162.2 Ų | 162.2 | 79% | 0.79 | 84% | 0.835 | S | S | * | * | trans | -148.7 | 101.8 | 162.3 | -179.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 225 | T | 51.8 | Low | 56.6 | Low | 214 Ų | 214 | 160.5 Ų | 160.5 | 100% | 1.313 | 84% | 0.84 | S | S | * | * | -173.2 | 0 | 115.9 | -52.1 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 225 of 225 residues in 778.4 ms
(Link to these results)