| 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 | 50.1 | Low | 55.8 | Low | 240 Ų | 240 | 156.4 Ų | 156.4 | 100% | 1.182 | 83% | 0.826 | S | S | * | * | 0 | 120.8 | 0 | -63.1 | 172.9 | 75.1 | 0 | 0 | 107.2 | |||||
| 2 | K | 50 | Low | 55.9 | Low | 214 Ų | 214 | 160 Ų | 160 | 93% | 0.93 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 120.6 | -179 | -87.5 | 175.2 | 174.1 | 174.3 | 0 | 108.9 | ||
| 3 | S | 65.2 | Low | 56.3 | Low | 107 Ų | 107 | 154.5 Ų | 154.5 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 138 | 175.3 | -50.2 | 0 | 0 | 0 | 0 | 110.9 | K5 | S3-K5 PolarHBondContact O-N 3.44Š|
| 4 | P | 55.5 | Low | 57.3 | Low | 118 Ų | 118 | 154.6 Ų | 154.6 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 123.2 | 171.4 | -13.7 | 28.6 | 0 | 0 | 0 | 109.6 | L6 | P4-L6 PolarHBondContact O-N 3.45Š|
| 5 | K | 55.1 | Low | 58.4 | Low | 196 Ų | 196 | 155.9 Ų | 155.9 | 85% | 0.852 | 80% | 0.799 | S | S | * | * | trans | -76.2 | 106.1 | 168.9 | -70.5 | -167.2 | 177 | -178.3 | 0 | 108.3 | S3 K7 | S3-K5 PolarHBondContact O-N 3.44Å; K5-K7 PolarHBondContact O-N 3.15Å | ||
| 6 | L | 53.8 | Low | 59.4 | Low | 162 Ų | 162 | 155.1 Ų | 155.1 | 85% | 0.848 | 79% | 0.791 | S | S | * | * | trans | -68.7 | 96.4 | 166.2 | -66 | 173.4 | 0 | 0 | 0 | 107.6 | P4 T8 | P4-L6 PolarHBondContact O-N 3.45Å; L6-T8 PolarHBondContact O-N 3.33Å | ||
| 7 | K | 51.7 | Low | 61 | Low | 191 Ų | 191 | 151.2 Ų | 151.2 | 83% | 0.83 | 77% | 0.773 | S | S | * | * | trans | -76.1 | 99.1 | 161.9 | -74.5 | -175.7 | 176.9 | -177.1 | 0 | 106.2 | K5 P9 | K5-K7 PolarHBondContact O-N 3.15Å; K7-P9 WeakPolarHBondContact O-CD 3.32Å | ||
| 8 | T | 60.9 | Low | 62.7 | Low | 126 Ų | 126 | 147.8 Ų | 147.8 | 77% | 0.773 | 76% | 0.756 | S | S | * | * | trans | -67.6 | 113 | 165.2 | -39.4 | 0 | 0 | 0 | 0 | 106.8 | L6 A10 | L6-T8 PolarHBondContact O-N 3.33Å; T8-A10 PolarHBondContact O-N 3.06Å | ||
| 9 | P | 50.6 | Low | 64.2 | Low | 101 Ų | 101 | 142.8 Ų | 142.8 | 66% | 0.656 | 74% | 0.736 | S | S | * | * | trans | -71.7 | 104.1 | 165.9 | 30.4 | -28 | 0 | 0 | 0 | 105.6 | K7 K11 | K7-P9 WeakPolarHBondContact O-CD 3.32Å; P9-K11 PolarHBondContact O-N 3.41Å | ||
| 10 | A | 59.3 | Low | 65.7 | Low | 88 Ų | 88 | 141.1 Ų | 141.1 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | trans | -64.5 | 81.1 | 156.8 | 0 | 0 | 0 | 0 | 0 | 106.2 | T8 F12 | T8-A10 PolarHBondContact O-N 3.06Å; A10-F12 PolarHBondContact O-N 3.31Å; A10-F12 VanDerWaalsContact O-N 3.16Å | ||
| 11 | K | 61.1 | Low | 67.1 | Low | 177 Ų | 177 | 138 Ų | 138 | 77% | 0.77 | 72% | 0.715 | S | S | * | * | trans | -64 | 113 | 163.8 | -83.6 | -178.7 | 178.4 | 178.8 | 0 | 104.4 | P9 V13 | P9-K11 PolarHBondContact O-N 3.41Å; K11-V13 VanDerWaalsContact C-N 3.34Å; K11-V13 PolarHBondContact O-N 3.17Å | ||
| 12 | F | 57.2 | Low | 69.2 | Low | 200 Ų | 200 | 130.9 Ų | 130.9 | 88% | 0.877 | 68% | 0.681 | S | S | * | * | trans | -51.6 | 108 | 160.1 | -80.3 | -94.7 | 0 | 0 | 0 | 106.1 | A10 K14 | A10-F12 PolarHBondContact O-N 3.31Å; A10-F12 VanDerWaalsContact O-N 3.16Å; F12-K14 PolarHBondContact O-N 2.85Å; F12-K14 VanDerWaalsContact O-N 3.07Å | ||
| 13 | V | 61.1 | Low | 71.4 | Confident | 89 Ų | 89 | 124.6 Ų | 124.6 | 54% | 0.539 | 66% | 0.664 | S | S | . | * | trans | -58.9 | 114.8 | 171.9 | -177.6 | 0 | 0 | 0 | 0 | 104.4 | K11 D17 L18 | K11-V13 VanDerWaalsContact C-N 3.34Å; K11-V13 PolarHBondContact O-N 3.17Å; V13-D17 HydrophobicContact CG1-CB 3.98Å; V13-L18 HydrophobicContact CG1-CB 3.88Å | ||
| 14 | K | 70.3 | Confident | 72.8 | Confident | 156 Ų | 156 | 126 Ų | 126 | 68% | 0.678 | 66% | 0.658 | S | S | * | * | trans | -62.3 | 144 | 174.7 | -77.2 | -178.4 | 178.2 | 178.3 | 0 | 107 | F12 E16 D17 L18 | F12-K14 PolarHBondContact O-N 2.85Å; F12-K14 VanDerWaalsContact O-N 3.07Å; K14-E16 PolarHBondContact O-N 2.93Å; K14-E16 VanDerWaalsContact O-N 3.11Å; K14-D17 HydrophobicContact CB-CB 4.37Å; K14-D17 WeakPolarHBondContact O-CA 3.33Å; K14-D17 WeakPolarHBondContact O-CB 3.45Å; K14-D17 PolarHBondContact O-N 3.41Å; K14-L18 PolarHBondContact O-N 2.78Å | ||
| 15 | E | 74.5 | Confident | 74.7 | Confident | 173 Ų | 173 | 126 Ų | 126 | 81% | 0.808 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -51.9 | -36.2 | 178.3 | -170.6 | 170.3 | -168.3 | 0 | 0 | 112 | L18 S19 | E15-L18 PolarHBondContact O-N 3.07Å; E15-S19 WeakPolarHBondContact O-CB 3.38Å; E15-S19 PolarHBondContact O-N 2.95Å; E15-S19 PolarHBondContact O-OG 2.87Å |
| 16 | E | 73.4 | Confident | 76.6 | Confident | 144 Ų | 144 | 121.5 Ų | 121.5 | 67% | 0.673 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -60.1 | -45.6 | 172 | -66.2 | 179.7 | -170.5 | 0 | 0 | 113.2 | K14 L18 S19 D20 | K14-E16 PolarHBondContact O-N 2.93Å; K14-E16 VanDerWaalsContact O-N 3.11Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.06Å; E16-S19 VanDerWaalsContact CA-OG 3.32Å; E16-S19 WeakPolarHBondContact CA-OG 3.44Å; E16-S19 PolarHBondContact O-N 3.05Å; E16-S19 PolarHBondContact O-OG 3.43Å; E16-D20 VanDerWaalsContact O-CG 3.26Å; E16-D20 PolarHBondContact O-N 3.17Å |
| 17 | D | 87.2 | Confident | 78.5 | Confident | 89 Ų | 89 | 116.3 Ų | 116.3 | 48% | 0.476 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -65.9 | -36.8 | 179 | -169 | 40.9 | 0 | 0 | 0 | 110.9 | V13 K14 V21 | V13-D17 HydrophobicContact CG1-CB 3.98Å; K14-D17 HydrophobicContact CB-CB 4.37Å; K14-D17 WeakPolarHBondContact O-CA 3.33Å; K14-D17 WeakPolarHBondContact O-CB 3.45Å; K14-D17 PolarHBondContact O-N 3.41Å; D17-V21 VanDerWaalsContact O-CG2 3.22Å; D17-V21 WeakPolarHBondContact O-CG2 3.42Å; D17-V21 PolarHBondContact O-N 3.38Å; D17-V21 VanDerWaalsContact O-N 3.16Å |
| 18 | L | 91.3 | Very high | 80.5 | Confident | 90 Ų | 90 | 110.5 Ų | 110.5 | 47% | 0.471 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.9 | -41 | 172.9 | -176.1 | 62 | 0 | 0 | 0 | 111.5 | V13 K14 E15 E16 D20 V21 L22 | V13-L18 HydrophobicContact CG1-CB 3.88Å; K14-L18 PolarHBondContact O-N 2.78Å; E15-L18 PolarHBondContact O-N 3.07Å; E16-L18 VanDerWaalsContact C-N 3.32Å; E16-L18 PolarHBondContact O-N 3.06Å; L18-D20 VanDerWaalsContact C-N 3.34Å; L18-V21 PolarHBondContact O-N 3.48Å; L18-L22 HydrophobicContact CD1-CD1 4.46Å; L18-L22 HydrophobicContact CD1-CG 4.42Å; L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.27Å; L18-L22 PolarHBondContact O-N 2.98Å |
| 19 | S | 92 | Very high | 82.1 | Confident | 53 Ų | 53 | 108 Ų | 108 | 37% | 0.371 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65 | -39.2 | 178 | 65.4 | 0 | 0 | 0 | 0 | 112.1 | E15 E16 L22 C23 | E15-S19 WeakPolarHBondContact O-CB 3.38Å; E15-S19 PolarHBondContact O-N 2.95Å; E15-S19 PolarHBondContact O-OG 2.87Å; E16-S19 VanDerWaalsContact CA-OG 3.32Å; E16-S19 WeakPolarHBondContact CA-OG 3.44Å; E16-S19 PolarHBondContact O-N 3.05Å; E16-S19 PolarHBondContact O-OG 3.43Å; S19-L22 PolarHBondContact O-N 3.43Å; S19-C23 WeakPolarHBondContact O-CB 3.44Å; S19-C23 PolarHBondContact O-N 3.31Å; S19-C23 PolarHBondContact O-SG 2.88Å |
| 20 | D | 94.1 | Very high | 84.1 | Confident | 107 Ų | 107 | 109.2 Ų | 109.2 | 57% | 0.572 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -62.8 | -45 | 176.4 | -71.7 | -19 | 0 | 0 | 0 | 110.6 | E16 L18 L22 C23 E24 | E16-D20 VanDerWaalsContact O-CG 3.26Å; E16-D20 PolarHBondContact O-N 3.17Å; L18-D20 VanDerWaalsContact C-N 3.34Å; D20-L22 PolarHBondContact O-N 3.03Å; D20-C23 PolarHBondContact O-N 3.05Å; D20-E24 PolarHBondContact O-N 2.64Å |
| 21 | V | 93.9 | Very high | 85.6 | Confident | 77 Ų | 77 | 106.3 Ų | 106.3 | 47% | 0.467 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63 | -41.5 | 176.5 | 170.4 | 0 | 0 | 0 | 0 | 111.8 | D17 L18 E24 F25 | D17-V21 VanDerWaalsContact O-CG2 3.22Å; D17-V21 WeakPolarHBondContact O-CG2 3.42Å; D17-V21 PolarHBondContact O-N 3.38Å; D17-V21 VanDerWaalsContact O-N 3.16Å; L18-V21 PolarHBondContact O-N 3.48Å; V21-E24 PolarHBondContact O-N 2.63Å; V21-F25 WeakPolarHBondContact O-CB 3.33Å; V21-F25 PolarHBondContact O-N 3.26Å |
| 22 | L | 95.6 | Very high | 86.9 | Confident | 91 Ų | 91 | 105 Ų | 105 | 48% | 0.476 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 177.1 | -70.9 | 173.3 | 0 | 0 | 0 | 111.7 | L18 S19 D20 F25 D26 | L18-L22 HydrophobicContact CD1-CD1 4.46Å; L18-L22 HydrophobicContact CD1-CG 4.42Å; L18-L22 HydrophobicContact CG-CD1 4.1Å; L18-L22 HydrophobicContact CG-CG 4.47Å; L18-L22 WeakPolarHBondContact O-CB 3.46Å; L18-L22 VanDerWaalsContact O-CG 3.28Å; L18-L22 WeakPolarHBondContact O-CG 3.27Å; L18-L22 PolarHBondContact O-N 2.98Å; S19-L22 PolarHBondContact O-N 3.43Å; D20-L22 PolarHBondContact O-N 3.03Å; L22-F25 WeakPolarHBondContact O-CB 3.45Å; L22-F25 PolarHBondContact O-N 3.02Å; L22-D26 PolarHBondContact O-N 3.05Å |
| 23 | C | 94.8 | Very high | 88.6 | Confident | 82 Ų | 82 | 100.6 Ų | 100.6 | 55% | 0.554 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.7 | -42 | 174.1 | -69.1 | 0 | 0 | 0 | 0 | 111.8 | S19 D20 F25 D26 A27 | S19-C23 WeakPolarHBondContact O-CB 3.44Å; S19-C23 PolarHBondContact O-N 3.31Å; S19-C23 PolarHBondContact O-SG 2.88Å; D20-C23 PolarHBondContact O-N 3.05Å; C23-F25 VanDerWaalsContact C-N 3.33Å; C23-D26 PolarHBondContact O-N 3.39Å; C23-A27 PolarHBondContact O-N 3.25Å |
| 24 | E | 94.9 | Very high | 89.9 | Confident | 136 Ų | 136 | 97.8 Ų | 97.8 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63 | -42 | 175.7 | -171.6 | 178.8 | -166.3 | 0 | 0 | 111.2 | D20 V21 A27 V28 | D20-E24 PolarHBondContact O-N 2.64Å; V21-E24 PolarHBondContact O-N 2.63Å; E24-A27 PolarHBondContact O-N 3.08Å; E24-V28 WeakPolarHBondContact O-CG2 3.4Å; E24-V28 PolarHBondContact O-N 3.14Å; E24-V28 VanDerWaalsContact O-N 3.12Å |
| 25 | F | 95.9 | Very high | 90.8 | Very high | 119 Ų | 119 | 94 Ų | 94 | 52% | 0.522 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -48.3 | 175.5 | 179.3 | -96.3 | 0 | 0 | 0 | 111.8 | V21 L22 C23 A27 V28 I29 | V21-F25 WeakPolarHBondContact O-CB 3.33Å; V21-F25 PolarHBondContact O-N 3.26Å; L22-F25 WeakPolarHBondContact O-CB 3.45Å; L22-F25 PolarHBondContact O-N 3.02Å; C23-F25 VanDerWaalsContact C-N 3.33Å; F25-A27 VanDerWaalsContact C-N 3.32Å; F25-A27 PolarHBondContact O-N 3.02Å; F25-V28 PolarHBondContact O-N 3.43Å; F25-V28 VanDerWaalsContact O-N 3.13Å; F25-I29 HydrophobicContact CD1-CG1 4.02Å; F25-I29 HydrophobicContact CE1-CD1 4.21Å; F25-I29 HydrophobicContact CE1-CG1 3.57Å; F25-I29 HydrophobicContact CE2-CD1 4.16Å; F25-I29 HydrophobicContact CE2-CG1 4.17Å; F25-I29 HydrophobicContact CZ-CD1 3.77Å; F25-I29 HydrophobicContact CZ-CG1 3.65Å; F25-I29 WeakPolarHBondContact O-CG1 3.22Å; F25-I29 PolarHBondContact O-N 3.46Å |
| 26 | D | 95.6 | Very high | 91.2 | Very high | 100 Ų | 100 | 89 Ų | 89 | 54% | 0.535 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 179.7 | -74.6 | -21.7 | 0 | 0 | 0 | 111.8 | L22 C23 V28 I29 E30 | L22-D26 PolarHBondContact O-N 3.05Å; C23-D26 PolarHBondContact O-N 3.39Å; D26-V28 VanDerWaalsContact C-N 3.3Å; D26-V28 PolarHBondContact O-N 3.02Å; D26-I29 PolarHBondContact O-N 2.92Å; D26-E30 WeakPolarHBondContact O-CB 3.49Å; D26-E30 PolarHBondContact O-N 3.17Å |
| 27 | A | 93.9 | Very high | 91.6 | Very high | 53 Ų | 53 | 88.8 Ų | 88.8 | 44% | 0.438 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.7 | -39 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C23 E24 F25 D31 | C23-A27 PolarHBondContact O-N 3.25Å; E24-A27 PolarHBondContact O-N 3.08Å; F25-A27 VanDerWaalsContact C-N 3.32Å; F25-A27 PolarHBondContact O-N 3.02Å; A27-D31 PolarHBondContact O-N 3.39Å; A27-D31 VanDerWaalsContact O-N 3.09Å |
| 28 | V | 92.8 | Very high | 91.4 | Very high | 69 Ų | 69 | 91.9 Ų | 91.9 | 42% | 0.418 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 176.5 | 171.8 | 0 | 0 | 0 | 0 | 111.2 | E24 F25 D26 D31 F32 | E24-V28 WeakPolarHBondContact O-CG2 3.4Å; E24-V28 PolarHBondContact O-N 3.14Å; E24-V28 VanDerWaalsContact O-N 3.12Å; F25-V28 PolarHBondContact O-N 3.43Å; F25-V28 VanDerWaalsContact O-N 3.13Å; D26-V28 VanDerWaalsContact C-N 3.3Å; D26-V28 PolarHBondContact O-N 3.02Å; V28-D31 WeakPolarHBondContact O-CB 3.39Å; V28-D31 PolarHBondContact O-N 3.41Å; V28-F32 HydrophobicContact CG1-CD2 3.84Å; V28-F32 HydrophobicContact CG1-CE2 3.54Å; V28-F32 WeakPolarHBondContact O-CD2 3.48Å; V28-F32 PolarHBondContact O-N 2.97Å; V28-F32 VanDerWaalsContact O-N 3.12Å |
| 29 | I | 94.3 | Very high | 91.2 | Very high | 74 Ų | 74 | 91.3 Ų | 91.3 | 38% | 0.379 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -41.3 | 177.2 | -64.5 | -60.4 | 0 | 0 | 0 | 111.2 | F25 D26 D31 F32 T33 | F25-I29 HydrophobicContact CD1-CG1 4.02Å; F25-I29 HydrophobicContact CE1-CD1 4.21Å; F25-I29 HydrophobicContact CE1-CG1 3.57Å; F25-I29 HydrophobicContact CE2-CD1 4.16Å; F25-I29 HydrophobicContact CE2-CG1 4.17Å; F25-I29 HydrophobicContact CZ-CD1 3.77Å; F25-I29 HydrophobicContact CZ-CG1 3.65Å; F25-I29 WeakPolarHBondContact O-CG1 3.22Å; F25-I29 PolarHBondContact O-N 3.46Å; D26-I29 PolarHBondContact O-N 2.92Å; I29-D31 VanDerWaalsContact C-N 3.27Å; I29-D31 PolarHBondContact O-N 2.84Å; I29-F32 PolarHBondContact O-N 2.89Å; I29-T33 HydrophobicContact CG2-CG2 4.35Å; I29-T33 WeakPolarHBondContact O-CG2 3.25Å; I29-T33 PolarHBondContact O-N 2.9Å; I29-T33 PolarHBondContact O-OG1 2.93Å; I29-T33 VanDerWaalsContact O-OG1 3.08Å |
| 30 | E | 93.6 | Very high | 90.5 | Very high | 126 Ų | 126 | 96.3 Ų | 96.3 | 59% | 0.589 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -56.8 | -43.5 | 173.2 | -174.8 | 176.8 | -132.5 | 0 | 0 | 110.8 | D26 F32 T33 S34 | D26-E30 WeakPolarHBondContact O-CB 3.49Å; D26-E30 PolarHBondContact O-N 3.17Å; E30-F32 PolarHBondContact O-N 3Å; E30-T33 WeakPolarHBondContact CA-OG1 3.45Å; E30-T33 PolarHBondContact O-N 2.74Å; E30-T33 PolarHBondContact O-OG1 3Å; E30-S34 VanDerWaalsContact O-CB 3.31Å; E30-S34 WeakPolarHBondContact O-CB 3.28Å; E30-S34 PolarHBondContact O-N 3.08Å |
| 31 | D | 90.1 | Very high | 89.4 | Confident | 27 Ų | 27 | 97.5 Ų | 97.5 | 14% | 0.144 | 50% | 0.501 | C | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 178.2 | -160.1 | 42 | 0 | 0 | 0 | 112.8 | A27 V28 I29 R39 H40 | A27-D31 PolarHBondContact O-N 3.39Å; A27-D31 VanDerWaalsContact O-N 3.09Å; V28-D31 WeakPolarHBondContact O-CB 3.39Å; V28-D31 PolarHBondContact O-N 3.41Å; I29-D31 VanDerWaalsContact C-N 3.27Å; I29-D31 PolarHBondContact O-N 2.84Å; D31-R39 VanDerWaalsContact O-CD 3.26Å; D31-R39 WeakPolarHBondContact O-CD 3.49Å; D31-R39 VanDerWaalsContact O-CG 3.23Å; D31-R39 WeakPolarHBondContact O-CG 3.46Å; D31-R39 WeakPolarHBondContact OD1-CA 3.41Å; D31-R39 WeakPolarHBondContact OD1-CB 3.4Å; D31-H40 IonicContact OD1-CD2 2.64Å; D31-H40 PolarHBondContact OD1-CD2 3.26Å; D31-H40 IonicContact OD1-CG 3.34Å; D31-H40 PolarHBondContact OD1-N 3.04Å |
| 32 | F | 89.1 | Confident | 88.6 | Confident | 151 Ų | 151 | 99.3 Ų | 99.3 | 66% | 0.662 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -72.2 | -30.4 | 176.7 | -78.4 | -69 | 0 | 0 | 0 | 113.8 | V28 I29 E30 | V28-F32 HydrophobicContact CG1-CD2 3.84Å; V28-F32 HydrophobicContact CG1-CE2 3.54Å; V28-F32 WeakPolarHBondContact O-CD2 3.48Å; V28-F32 PolarHBondContact O-N 2.97Å; V28-F32 VanDerWaalsContact O-N 3.12Å; I29-F32 PolarHBondContact O-N 2.89Å; E30-F32 PolarHBondContact O-N 3Å |
| 33 | T | 91.4 | Very high | 87.8 | Confident | 107 Ų | 107 | 101.3 Ų | 101.3 | 66% | 0.656 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -84.3 | -19.6 | 179.4 | 57 | 0 | 0 | 0 | 0 | 112.6 | I29 E30 | I29-T33 HydrophobicContact CG2-CG2 4.35Å; I29-T33 WeakPolarHBondContact O-CG2 3.25Å; I29-T33 PolarHBondContact O-N 2.9Å; I29-T33 PolarHBondContact O-OG1 2.93Å; I29-T33 VanDerWaalsContact O-OG1 3.08Å; E30-T33 WeakPolarHBondContact CA-OG1 3.45Å; E30-T33 PolarHBondContact O-N 2.74Å; E30-T33 PolarHBondContact O-OG1 3Å |
| 34 | S | 90.3 | Very high | 86.8 | Confident | 30 Ų | 30 | 101.8 Ų | 101.8 | 21% | 0.21 | 50% | 0.499 | C | S | . | . | S | Bend | trans | -67.4 | 141.6 | 176.2 | -172.6 | 0 | 0 | 0 | 0 | 112.3 | E30 K38 | E30-S34 VanDerWaalsContact O-CB 3.31Å; E30-S34 WeakPolarHBondContact O-CB 3.28Å; E30-S34 PolarHBondContact O-N 3.08Å; S34-K38 WeakPolarHBondContact OG-CB 3.31Å |
| 35 | P | 89.1 | Confident | 86.1 | Confident | 75 Ų | 75 | 101.7 Ų | 101.7 | 49% | 0.487 | 50% | 0.498 | S | S | . | . | trans | -51.8 | 148.2 | 169.9 | -25.7 | 34 | 0 | 0 | 0 | 111.8 | E37 K38 R39 | P35-E37 PolarHBondContact O-N 3.24Å; P35-K38 WeakPolarHBondContact O-CA 3.36Å; P35-K38 PolarHBondContact O-N 3.02Å; P35-R39 WeakPolarHBondContact O-CG 3.49Å; P35-R39 PolarHBondContact O-N 3.39Å | ||
| 36 | V | 81.9 | Confident | 85.4 | Confident | 69 Ų | 69 | 101 Ų | 101 | 42% | 0.418 | 50% | 0.497 | S | S | . | . | G | 310 helix | trans | -53.1 | -35.7 | -172.3 | 175.8 | 0 | 0 | 0 | 0 | 113 | K38 R39 R42 | V36-K38 VanDerWaalsContact C-N 3.25Å; V36-K38 PolarHBondContact O-N 3.4Å; V36-R39 PolarHBondContact O-N 2.84Å; V36-R42 PolarHBondContact O-NH1 3.41Å; V36-R42 VanDerWaalsContact O-NH1 3.11Å |
| 37 | E | 82.8 | Confident | 84.8 | Confident | 140 Ų | 140 | 99.6 Ų | 99.6 | 65% | 0.654 | 49% | 0.488 | S | S | * | . | G | 310 helix | trans | -73.2 | -13 | 179.5 | -60.5 | 73.1 | -159.8 | 0 | 0 | 113.7 | P35 R42 | P35-E37 PolarHBondContact O-N 3.24Å; E37-R42 PolarHBondContact O-NH1 3.4Å; E37-R42 PolarHBondContact O-NH2 3.4Å |
| 38 | K | 82.3 | Confident | 84.2 | Confident | 153 Ų | 153 | 103.4 Ų | 103.4 | 67% | 0.665 | 50% | 0.495 | S | S | * | . | G | 310 helix | trans | -111 | -3.6 | 177.7 | -68.7 | -178.4 | -176.6 | -179.8 | 0 | 112.9 | S34 P35 V36 H40 | S34-K38 WeakPolarHBondContact OG-CB 3.31Å; P35-K38 WeakPolarHBondContact O-CA 3.36Å; P35-K38 PolarHBondContact O-N 3.02Å; V36-K38 VanDerWaalsContact C-N 3.25Å; V36-K38 PolarHBondContact O-N 3.4Å; K38-H40 PolarHBondContact O-N 3.21Å |
| 39 | R | 86.4 | Confident | 83.6 | Confident | 78 Ų | 78 | 102.8 Ų | 102.8 | 29% | 0.294 | 49% | 0.491 | S | S | . | . | trans | -65.4 | 131.2 | 176 | -62.2 | -164.8 | -70.1 | 174.6 | -6.7 | 111.9 | D31 P35 V36 F41 R42 | D31-R39 VanDerWaalsContact O-CD 3.26Å; D31-R39 WeakPolarHBondContact O-CD 3.49Å; D31-R39 VanDerWaalsContact O-CG 3.23Å; D31-R39 WeakPolarHBondContact O-CG 3.46Å; D31-R39 WeakPolarHBondContact OD1-CA 3.41Å; D31-R39 WeakPolarHBondContact OD1-CB 3.4Å; P35-R39 WeakPolarHBondContact O-CG 3.49Å; P35-R39 PolarHBondContact O-N 3.39Å; V36-R39 PolarHBondContact O-N 2.84Å; R39-F41 PolarHBondContact O-N 3.39Å; R39-R42 PolarHBondContact O-NH1 3.05Å | ||
| 40 | H | 77.1 | Confident | 82.9 | Confident | 158 Ų | 158 | 102.6 Ų | 102.6 | 73% | 0.731 | 49% | 0.494 | S | S | * | . | S | Bend | trans | -57.2 | -35.4 | 177.2 | -71.2 | -75.9 | 0 | 0 | 0 | 111.7 | D31 K38 | D31-H40 IonicContact OD1-CD2 2.64Å; D31-H40 PolarHBondContact OD1-CD2 3.26Å; D31-H40 IonicContact OD1-CG 3.34Å; D31-H40 PolarHBondContact OD1-N 3.04Å; K38-H40 PolarHBondContact O-N 3.21Å |
| 41 | F | 71.6 | Confident | 82.1 | Confident | 133 Ų | 133 | 103.1 Ų | 103.1 | 58% | 0.583 | 49% | 0.494 | S | S | * | . | trans | -104.7 | 118 | 179.9 | -166.6 | -108.5 | 0 | 0 | 0 | 113.3 | R39 Y43 | R39-F41 PolarHBondContact O-N 3.39Å; F41-Y43 AromaticContact CE1-CD2 3.62Å; F41-Y43 HydrophobicContact CE1-CD2 3.62Å; F41-Y43 HydrophobicContact CE1-CG 4.12Å; F41-Y43 HydrophobicContact CZ-CD2 4.26Å; F41-Y43 PolarHBondContact O-N 2.97Å | ||
| 42 | R | 78.1 | Confident | 81.2 | Confident | 115 Ų | 115 | 109.6 Ų | 109.6 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | trans | -97 | 68.9 | 179.4 | -60.5 | -59 | -140.6 | -121 | 0.5 | 112 | V36 E37 R39 D44 E45 | V36-R42 PolarHBondContact O-NH1 3.41Å; V36-R42 VanDerWaalsContact O-NH1 3.11Å; E37-R42 PolarHBondContact O-NH1 3.4Å; E37-R42 PolarHBondContact O-NH2 3.4Å; R39-R42 PolarHBondContact O-NH1 3.05Å; R42-D44 PolarHBondContact O-N 3.13Å; R42-D44 VanDerWaalsContact O-N 3.12Å; R42-E45 PolarHBondContact O-N 3.31Å; R42-E45 VanDerWaalsContact O-N 3.13Å | ||
| 43 | Y | 77.7 | Confident | 79.8 | Confident | 132 Ų | 132 | 112.8 Ų | 112.8 | 52% | 0.518 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -55.8 | -32.3 | -178.1 | -172 | -114.6 | 0 | 0 | 0 | 113.6 | F41 E45 H46 L47 | F41-Y43 AromaticContact CE1-CD2 3.62Å; F41-Y43 HydrophobicContact CE1-CD2 3.62Å; F41-Y43 HydrophobicContact CE1-CG 4.12Å; F41-Y43 HydrophobicContact CZ-CD2 4.26Å; F41-Y43 PolarHBondContact O-N 2.97Å; Y43-E45 VanDerWaalsContact C-N 3.29Å; Y43-E45 PolarHBondContact O-N 2.95Å; Y43-H46 PolarHBondContact O-N 2.95Å; Y43-L47 WeakPolarHBondContact O-CB 3.32Å; Y43-L47 PolarHBondContact O-N 2.87Å |
| 44 | D | 74.9 | Confident | 78.1 | Confident | 93 Ų | 93 | 112.9 Ų | 112.9 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -34.9 | 179.8 | -66 | -32.6 | 0 | 0 | 0 | 113.4 | R42 K48 | R42-D44 PolarHBondContact O-N 3.13Å; R42-D44 VanDerWaalsContact O-N 3.12Å; D44-K48 WeakPolarHBondContact O-CB 3.35Å; D44-K48 WeakPolarHBondContact O-CG 3.08Å; D44-K48 PolarHBondContact O-N 3.32Å |
| 45 | E | 79.1 | Confident | 76.5 | Confident | 134 Ų | 134 | 115.7 Ų | 115.7 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -69.8 | -46.2 | 176.5 | -173 | -178.5 | 173.6 | 0 | 0 | 110.7 | R42 Y43 L47 K48 T49 | R42-E45 PolarHBondContact O-N 3.31Å; R42-E45 VanDerWaalsContact O-N 3.13Å; Y43-E45 VanDerWaalsContact C-N 3.29Å; Y43-E45 PolarHBondContact O-N 2.95Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 3.49Å; E45-K48 WeakPolarHBondContact O-CB 3.46Å; E45-K48 PolarHBondContact O-N 2.94Å; E45-K48 VanDerWaalsContact O-N 3.16Å; E45-T49 WeakPolarHBondContact O-CG2 3.44Å; E45-T49 PolarHBondContact O-N 3.16Å |
| 46 | H | 82.6 | Confident | 74.9 | Confident | 105 Ų | 105 | 116.4 Ų | 116.4 | 49% | 0.486 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.9 | -46.8 | 175.6 | -174.7 | 68 | 0 | 0 | 0 | 110.9 | Y43 K48 T49 V50 | Y43-H46 PolarHBondContact O-N 2.95Å; H46-K48 VanDerWaalsContact C-N 3.33Å; H46-K48 PolarHBondContact O-N 3.15Å; H46-T49 PolarHBondContact O-N 2.91Å; H46-T49 VanDerWaalsContact O-N 3.1Å; H46-T49 PolarHBondContact O-OG1 3.41Å; H46-V50 WeakPolarHBondContact O-CG2 3.22Å; H46-V50 PolarHBondContact O-N 3.31Å |
| 47 | L | 82.9 | Confident | 73.8 | Confident | 69 Ų | 69 | 118.2 Ų | 118.2 | 36% | 0.361 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60 | -40.8 | 176.9 | -172.9 | 62.9 | 0 | 0 | 0 | 112.2 | Y43 E45 T49 V50 K51 | Y43-L47 WeakPolarHBondContact O-CB 3.32Å; Y43-L47 PolarHBondContact O-N 2.87Å; E45-L47 VanDerWaalsContact C-N 3.32Å; E45-L47 PolarHBondContact O-N 3.49Å; L47-T49 PolarHBondContact O-N 2.87Å; L47-V50 PolarHBondContact O-N 3.18Å; L47-K51 HydrophobicContact CD1-CD 4.42Å; L47-K51 HydrophobicContact CD1-CG 4.41Å; L47-K51 HydrophobicContact CG-CD 4.1Å; L47-K51 HydrophobicContact CG-CG 4.46Å; L47-K51 WeakPolarHBondContact O-CB 3.46Å; L47-K51 WeakPolarHBondContact O-CG 3.26Å; L47-K51 PolarHBondContact O-N 2.86Å |
| 48 | K | 80.9 | Confident | 72.3 | Confident | 134 Ų | 134 | 117.9 Ų | 117.9 | 58% | 0.583 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -61.4 | -41.3 | 174.3 | -75.8 | 168.2 | -174.5 | 175.9 | 0 | 112.1 | D44 E45 H46 R52 | D44-K48 WeakPolarHBondContact O-CB 3.35Å; D44-K48 WeakPolarHBondContact O-CG 3.08Å; D44-K48 PolarHBondContact O-N 3.32Å; E45-K48 WeakPolarHBondContact O-CB 3.46Å; E45-K48 PolarHBondContact O-N 2.94Å; E45-K48 VanDerWaalsContact O-N 3.16Å; H46-K48 VanDerWaalsContact C-N 3.33Å; H46-K48 PolarHBondContact O-N 3.15Å; K48-R52 PolarHBondContact O-N 3.38Å |
| 49 | T | 80.3 | Confident | 71.1 | Confident | 55 Ų | 55 | 116.3 Ų | 116.3 | 34% | 0.337 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68 | -39.8 | 178.4 | 63.8 | 0 | 0 | 0 | 0 | 112.4 | E45 H46 L47 | E45-T49 WeakPolarHBondContact O-CG2 3.44Å; E45-T49 PolarHBondContact O-N 3.16Å; H46-T49 PolarHBondContact O-N 2.91Å; H46-T49 VanDerWaalsContact O-N 3.1Å; H46-T49 PolarHBondContact O-OG1 3.41Å; L47-T49 PolarHBondContact O-N 2.87Å |
| 50 | V | 77.9 | Confident | 69.4 | Low | 71 Ų | 71 | 119.3 Ų | 119.3 | 43% | 0.43 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -69.4 | -43.3 | 177 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | H46 L47 R52 R53 | H46-V50 WeakPolarHBondContact O-CG2 3.22Å; H46-V50 PolarHBondContact O-N 3.31Å; L47-V50 PolarHBondContact O-N 3.18Å; V50-R52 VanDerWaalsContact C-N 3.29Å; V50-R52 PolarHBondContact O-N 3.44Å; V50-R53 WeakPolarHBondContact O-CB 3.5Å; V50-R53 PolarHBondContact O-N 2.92Å; V50-R53 VanDerWaalsContact O-N 3.08Å |
| 51 | K | 78.3 | Confident | 68 | Low | 136 Ų | 136 | 115.9 Ų | 115.9 | 59% | 0.591 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -61.1 | -34.3 | 177.9 | -78.9 | 178.9 | 69 | 172.5 | 0 | 113.4 | L47 R53 S54 S55 | L47-K51 HydrophobicContact CD1-CD 4.42Å; L47-K51 HydrophobicContact CD1-CG 4.41Å; L47-K51 HydrophobicContact CG-CD 4.1Å; L47-K51 HydrophobicContact CG-CG 4.46Å; L47-K51 WeakPolarHBondContact O-CB 3.46Å; L47-K51 WeakPolarHBondContact O-CG 3.26Å; L47-K51 PolarHBondContact O-N 2.86Å; K51-R53 PolarHBondContact O-N 3.03Å; K51-S54 PolarHBondContact O-N 3.36Å; K51-S54 VanDerWaalsContact O-N 3.1Å; K51-S55 PolarHBondContact O-OG 2.72Å |
| 52 | R | 70 | Confident | 67.1 | Low | 164 Ų | 164 | 113.7 Ų | 113.7 | 62% | 0.619 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -64.7 | -24.4 | 176.6 | -87.2 | -170.3 | -94.3 | 118.9 | -7.8 | 113.4 | K48 V50 S54 | K48-R52 PolarHBondContact O-N 3.38Å; V50-R52 VanDerWaalsContact C-N 3.29Å; V50-R52 PolarHBondContact O-N 3.44Å; R52-S54 VanDerWaalsContact C-N 3.31Å |
| 53 | R | 59.3 | Low | 65.8 | Low | 218 Ų | 218 | 115 Ų | 115 | 82% | 0.823 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -76.6 | -19.4 | 174.5 | -65.7 | 176.4 | 63.4 | 108.5 | -0 | 113 | V50 K51 | V50-R53 WeakPolarHBondContact O-CB 3.5Å; V50-R53 PolarHBondContact O-N 2.92Å; V50-R53 VanDerWaalsContact O-N 3.08Å; K51-R53 PolarHBondContact O-N 3.03Å |
| 54 | S | 57.1 | Low | 64.5 | Low | 108 Ų | 108 | 113.3 Ų | 113.3 | 76% | 0.755 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -4.5 | 177.3 | -54.5 | 0 | 0 | 0 | 0 | 113.9 | K51 R52 | K51-S54 PolarHBondContact O-N 3.36Å; K51-S54 VanDerWaalsContact O-N 3.1Å; R52-S54 VanDerWaalsContact C-N 3.31Å |
| 55 | S | 55.4 | Low | 63.3 | Low | 89 Ų | 89 | 116.6 Ų | 116.6 | 62% | 0.622 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -126.5 | 10 | -171.3 | 35.2 | 0 | 0 | 0 | 0 | 114.4 | K51 S57 | K51-S55 PolarHBondContact O-OG 2.72Å; S55-S57 VanDerWaalsContact C-N 3.32Å; S55-S57 PolarHBondContact O-N 2.87Å |
| 56 | A | 56.1 | Low | 62.1 | Low | 91 Ų | 91 | 115.6 Ų | 115.6 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | S | Bend | trans | -89.9 | 14.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 57 | S | 58.7 | Low | 60.8 | Low | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -162.4 | 77 | 173.8 | 170.1 | 0 | 0 | 0 | 0 | 111.2 | S55 | S55-S57 VanDerWaalsContact C-N 3.32Å; S55-S57 PolarHBondContact O-N 2.87Å |
| 58 | V | 51.4 | Low | 59.1 | Low | 133 Ų | 133 | 120.6 Ų | 120.6 | 81% | 0.806 | 71% | 0.705 | S | S | * | * | trans | -156.1 | 106 | 133.4 | 173.5 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 59 | S | 57.6 | Low | 57.8 | Low | 120 Ų | 120 | 118 Ų | 118 | 84% | 0.839 | 71% | 0.708 | S | S | * | * | trans | -65 | 132.7 | 154.6 | -59.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 60 | D | 49.8 | Very low | 56.5 | Low | 141 Ų | 141 | 122.4 Ų | 122.4 | 75% | 0.754 | 73% | 0.73 | S | S | * | * | trans | -170.3 | 128 | 135.1 | -162.9 | 4.1 | 0 | 0 | 0 | 111 | ||||
| 61 | S | 48.8 | Very low | 55.2 | Low | 86 Ų | 86 | 124.6 Ų | 124.6 | 60% | 0.601 | 75% | 0.748 | S | S | * | * | trans | 48.2 | 93.2 | 153.6 | -64.5 | 0 | 0 | 0 | 0 | 119.8 | I63 | S61-I63 PolarHBondContact O-N 3.11Š| ||
| 62 | G | 52.6 | Low | 54.1 | Low | 88 Ų | 88 | 126 Ų | 126 | 91% | 0.907 | 76% | 0.762 | S | S | * | * | trans | -65.6 | 89.6 | 145.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 63 | I | 49.4 | Very low | 53 | Low | 142 Ų | 142 | 124.5 Ų | 124.5 | 73% | 0.728 | 77% | 0.766 | S | S | * | * | trans | -71.2 | 131.8 | 160.7 | 80.2 | 157.5 | 0 | 0 | 0 | 107.1 | S61 D65 | S61-I63 PolarHBondContact O-N 3.11Å; I63-D65 PolarHBondContact O-N 3.07Å | ||
| 64 | S | 52.2 | Low | 53 | Low | 97 Ų | 97 | 125 Ų | 125 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | -62.4 | 124.8 | 172.8 | -173.7 | 0 | 0 | 0 | 0 | 109 | T66 | S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 3.16Å | ||
| 65 | D | 49.7 | Very low | 52.8 | Low | 162 Ų | 162 | 126.1 Ų | 126.1 | 87% | 0.866 | 77% | 0.765 | S | S | * | * | trans | -59.1 | 97.4 | 165.4 | -83.5 | -36 | 0 | 0 | 0 | 107.9 | I63 | I63-D65 PolarHBondContact O-N 3.07Š| ||
| 66 | T | 52.8 | Low | 52.8 | Low | 113 Ų | 113 | 126.9 Ų | 126.9 | 69% | 0.693 | 77% | 0.77 | S | S | * | * | trans | -96.4 | 113.1 | 165 | -60 | 0 | 0 | 0 | 0 | 105.6 | S64 S68 | S64-T66 VanDerWaalsContact C-N 3.3Å; S64-T66 PolarHBondContact O-N 3.16Å; T66-S68 PolarHBondContact O-N 2.92Å | ||
| 67 | D | 55 | Low | 52.4 | Low | 166 Ų | 166 | 131.9 Ų | 131.9 | 89% | 0.888 | 78% | 0.775 | S | S | * | * | trans | -42.4 | 108.7 | 164.6 | -79.1 | -72 | 0 | 0 | 0 | 110.2 | ||||
| 68 | S | 48.6 | Very low | 52 | Low | 112 Ų | 112 | 131.6 Ų | 131.6 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -135.1 | 90.7 | 167.1 | -144.5 | 0 | 0 | 0 | 0 | 107.9 | T66 | T66-S68 PolarHBondContact O-N 2.92Š| ||
| 69 | A | 53.4 | Low | 51.9 | Low | 80 Ų | 80 | 134.6 Ų | 134.6 | 66% | 0.661 | 78% | 0.776 | S | S | * | * | trans | -53.4 | 150.4 | 160.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 70 | D | 52.8 | Low | 51.9 | Low | 148 Ų | 148 | 133.8 Ų | 133.8 | 79% | 0.791 | 77% | 0.771 | S | S | * | * | trans | 73.2 | 89.5 | 169.1 | -60.3 | -59.3 | 0 | 0 | 0 | 117.3 | ||||
| 71 | S | 49.8 | Very low | 52.1 | Low | 116 Ų | 116 | 133.7 Ų | 133.7 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | -147.1 | 117.8 | 127.1 | 70.3 | 0 | 0 | 0 | 0 | 111.5 | N73 | S71-N73 PolarHBondContact O-N 2.98Å; S71-N73 VanDerWaalsContact O-N 3.08Å | |||
| 72 | L | 55.2 | Low | 52.7 | Low | 167 Ų | 167 | 137.2 Ų | 137.2 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -55.8 | 107 | 167.2 | -77.7 | 89.9 | 0 | 0 | 0 | 109.8 | ||||
| 73 | N | 47.3 | Very low | 53.4 | Low | 131 Ų | 131 | 142.4 Ų | 142.4 | 70% | 0.701 | 77% | 0.769 | S | S | * | * | trans | -117.4 | 91.6 | 154.3 | -177.4 | 4.4 | 0 | 0 | 0 | 109.6 | S71 N75 | S71-N73 PolarHBondContact O-N 2.98Å; S71-N73 VanDerWaalsContact O-N 3.08Å; N73-N75 PolarHBondContact O-N 3.01Å | ||
| 74 | R | 60.3 | Low | 54 | Low | 229 Ų | 229 | 142.8 Ų | 142.8 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | -68.8 | 69.7 | 174.4 | -164.1 | -179.6 | 85.8 | -131.3 | 6.8 | 110.7 | ||||
| 75 | N | 51.4 | Low | 53.8 | Low | 131 Ų | 131 | 143.8 Ų | 143.8 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | trans | -103.9 | 85 | 166.2 | -108.4 | 36.8 | 0 | 0 | 0 | 110.7 | N73 F77 | N73-N75 PolarHBondContact O-N 3.01Å; N75-F77 PolarHBondContact O-N 3.37Å | ||
| 76 | S | 55.8 | Low | 53.6 | Low | 105 Ų | 105 | 141.2 Ų | 141.2 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | 24.6 | 67.6 | 145.7 | -173.5 | 0 | 0 | 0 | 0 | 118.4 | S78 | S76-S78 VanDerWaalsContact C-N 3.31Å; S76-S78 PolarHBondContact O-N 2.79Å | ||
| 77 | F | 47.3 | Very low | 53.5 | Low | 196 Ų | 196 | 141.9 Ų | 141.9 | 86% | 0.86 | 77% | 0.771 | S | S | * | * | trans | -82.7 | 92 | 138.3 | -72.3 | -75.7 | 0 | 0 | 0 | 106.4 | N75 F79 | N75-F77 PolarHBondContact O-N 3.37Å; F77-F79 PolarHBondContact O-N 3.23Å | ||
| 78 | S | 50.8 | Low | 53.1 | Low | 101 Ų | 101 | 139.3 Ų | 139.3 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -66.2 | 87.6 | 164.7 | -170 | 0 | 0 | 0 | 0 | 106.4 | S76 S80 | S76-S78 VanDerWaalsContact C-N 3.31Å; S76-S78 PolarHBondContact O-N 2.79Å; S78-S80 VanDerWaalsContact C-N 3.26Å; S78-S80 PolarHBondContact O-N 3.41Å | ||
| 79 | F | 50.6 | Low | 53.3 | Low | 195 Ų | 195 | 140.6 Ų | 140.6 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | -58.1 | 100.6 | 158.6 | -112.2 | -94.8 | 0 | 0 | 0 | 105 | F77 D81 | F77-F79 PolarHBondContact O-N 3.23Å; F79-D81 VanDerWaalsContact C-N 3.26Å; F79-D81 PolarHBondContact O-N 3.12Å | ||
| 80 | S | 56.1 | Low | 53.1 | Low | 104 Ų | 104 | 142.1 Ų | 142.1 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | trans | -63.1 | 98.7 | 167.8 | 39 | 0 | 0 | 0 | 0 | 106.6 | S78 E82 | S78-S80 VanDerWaalsContact C-N 3.26Å; S78-S80 PolarHBondContact O-N 3.41Å; S80-E82 VanDerWaalsContact C-N 3.33Å; S80-E82 PolarHBondContact O-N 3.23Å | ||
| 81 | D | 54.3 | Low | 53.1 | Low | 139 Ų | 139 | 139.3 Ų | 139.3 | 74% | 0.743 | 76% | 0.758 | S | S | * | * | trans | -64.9 | 92.2 | 172.6 | -148.3 | -15.3 | 0 | 0 | 0 | 107.1 | F79 R83 | F79-D81 VanDerWaalsContact C-N 3.26Å; F79-D81 PolarHBondContact O-N 3.12Å; D81-R83 VanDerWaalsContact C-N 3.26Å; D81-R83 PolarHBondContact O-N 3.34Å | ||
| 82 | E | 61.5 | Low | 53.3 | Low | 160 Ų | 160 | 138.9 Ų | 138.9 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | -71.7 | 86.9 | 172.5 | 61.2 | 174.4 | 125.5 | 0 | 0 | 109.1 | S80 L84 | S80-E82 VanDerWaalsContact C-N 3.33Å; S80-E82 PolarHBondContact O-N 3.23Å; E82-L84 PolarHBondContact O-N 3.46Å | ||
| 83 | R | 67.4 | Low | 53.2 | Low | 197 Ų | 197 | 136.1 Ų | 136.1 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | -71.1 | 95.6 | 175.2 | -67.6 | -177.6 | 59 | -145.6 | -6.5 | 109.7 | D81 N85 | D81-R83 VanDerWaalsContact C-N 3.26Å; D81-R83 PolarHBondContact O-N 3.34Å; R83-N85 PolarHBondContact O-N 2.68Å | ||
| 84 | L | 61.8 | Low | 53.7 | Low | 149 Ų | 149 | 136.9 Ų | 136.9 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | -73.1 | 89.1 | 171.1 | -69.7 | 178.7 | 0 | 0 | 0 | 110.8 | E82 | E82-L84 PolarHBondContact O-N 3.46Š| ||
| 85 | N | 48.5 | Very low | 53.6 | Low | 118 Ų | 118 | 134.1 Ų | 134.1 | 63% | 0.631 | 75% | 0.746 | S | S | * | * | trans | -141.7 | 93.6 | 168.5 | -57.1 | 78.7 | 0 | 0 | 0 | 110.7 | R83 | R83-N85 PolarHBondContact O-N 2.68Š| ||
| 86 | S | 44.6 | Very low | 54.1 | Low | 109 Ų | 109 | 131.5 Ų | 131.5 | 76% | 0.762 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 82.8 | 152.3 | 146.6 | -44.7 | 0 | 0 | 0 | 0 | 118.7 | T88 | S86-T88 PolarHBondContact O-N 3.09Š|
| 87 | P | 51.8 | Low | 54.5 | Low | 126 Ų | 126 | 132.1 Ų | 132.1 | 82% | 0.818 | 74% | 0.74 | S | S | * | * | trans | -87.9 | 110.8 | -138.3 | 33.9 | -32.6 | 0 | 0 | 0 | 112.3 | ||||
| 88 | T | 45.4 | Very low | 55.5 | Low | 112 Ų | 112 | 131.9 Ų | 131.9 | 69% | 0.687 | 74% | 0.739 | S | S | * | * | trans | -101.4 | 108 | 165.4 | -58.5 | 0 | 0 | 0 | 0 | 108.5 | S86 T90 | S86-T88 PolarHBondContact O-N 3.09Å; T88-T90 VanDerWaalsContact C-N 3.25Å; T88-T90 HydrophobicContact CG2-CG2 4.15Å; T88-T90 PolarHBondContact O-N 3.12Å; T88-T90 PolarHBondContact O-OG1 2.77Å | ||
| 89 | T | 52.9 | Low | 56.1 | Low | 140 Ų | 140 | 133 Ų | 133 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | trans | -50.7 | 86.1 | 160.9 | 48.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 90 | T | 49.8 | Very low | 57.2 | Low | 111 Ų | 111 | 133.3 Ų | 133.3 | 68% | 0.681 | 74% | 0.744 | S | S | * | * | trans | -140.2 | 85.5 | 166.2 | 35.3 | 0 | 0 | 0 | 0 | 107.2 | T88 | T88-T90 VanDerWaalsContact C-N 3.25Å; T88-T90 HydrophobicContact CG2-CG2 4.15Å; T88-T90 PolarHBondContact O-N 3.12Å; T88-T90 PolarHBondContact O-OG1 2.77Å | ||
| 91 | S | 52.4 | Low | 58 | Low | 89 Ų | 89 | 135.3 Ų | 135.3 | 62% | 0.622 | 75% | 0.746 | S | S | * | * | trans | -51.9 | 138.5 | 159.3 | 64.3 | 0 | 0 | 0 | 0 | 108 | ||||
| 92 | P | 55.1 | Low | 59.4 | Low | 107 Ų | 107 | 131.4 Ų | 131.4 | 70% | 0.695 | 74% | 0.739 | S | S | * | * | trans | -53.8 | 141.6 | 163.6 | 24.8 | -31.6 | 0 | 0 | 0 | 108 | L94 | P92-L94 PolarHBondContact O-N 3.05Š| ||
| 93 | P | 52.7 | Low | 60.7 | Low | 110 Ų | 110 | 130.8 Ų | 130.8 | 71% | 0.714 | 74% | 0.741 | S | S | * | * | trans | -58.9 | 113.3 | -176.5 | 24.9 | -32 | 0 | 0 | 0 | 108 | M95 | P93-M95 HydrophobicContact CB-CG 4.24Å; P93-M95 PolarHBondContact O-N 2.89Å | ||
| 94 | L | 58.5 | Low | 61.9 | Low | 147 Ų | 147 | 123.4 Ų | 123.4 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | -65.6 | 70.7 | 168.6 | -72.1 | 167.7 | 0 | 0 | 0 | 108 | P92 S96 | P92-L94 PolarHBondContact O-N 3.05Å; L94-S96 VanDerWaalsContact C-N 3.26Å | ||
| 95 | M | 57.3 | Low | 63.5 | Low | 170 Ų | 170 | 121.1 Ų | 121.1 | 84% | 0.837 | 70% | 0.701 | S | S | * | * | trans | -95.5 | 20.9 | 167.4 | -67.1 | -167.8 | 76.6 | 0 | 0 | 111.2 | P93 | P93-M95 HydrophobicContact CB-CG 4.24Å; P93-M95 PolarHBondContact O-N 2.89Å | ||
| 96 | S | 61.7 | Low | 65.8 | Low | 77 Ų | 77 | 123.5 Ų | 123.5 | 54% | 0.538 | 71% | 0.709 | S | S | . | * | S | Bend | trans | -65.1 | 128 | 157.7 | 52.6 | 0 | 0 | 0 | 0 | 108 | L94 K98 | L94-S96 VanDerWaalsContact C-N 3.26Å; S96-K98 PolarHBondContact O-N 2.66Å; S96-K98 VanDerWaalsContact O-N 3.17Å |
| 97 | P | 63.7 | Low | 68.2 | Low | 117 Ų | 117 | 123.3 Ų | 123.3 | 76% | 0.76 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 128.3 | 168.9 | -21.3 | 30.7 | 0 | 0 | 0 | 108 | P99 | P97-P99 VanDerWaalsContact O-CD 3.25Å; P97-P99 WeakPolarHBondContact O-CD 3.23Å |
| 98 | K | 67.9 | Low | 70.3 | Confident | 192 Ų | 192 | 122.4 Ų | 122.4 | 84% | 0.835 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52.1 | 118.7 | 168.9 | -76.6 | -169.1 | 173.6 | 80.5 | 0 | 105.8 | S96 K100 | S96-K98 PolarHBondContact O-N 2.66Å; S96-K98 VanDerWaalsContact O-N 3.17Å; K98-K100 PolarHBondContact O-N 2.86Å |
| 99 | P | 64.1 | Low | 72.8 | Confident | 123 Ų | 123 | 120.8 Ų | 120.8 | 80% | 0.799 | 67% | 0.67 | S | S | * | * | trans | -58.8 | 112.8 | 173.8 | 23.3 | -30.3 | 0 | 0 | 0 | 105.6 | P97 L101 | P97-P99 VanDerWaalsContact O-CD 3.25Å; P97-P99 WeakPolarHBondContact O-CD 3.23Å; P99-L101 PolarHBondContact O-N 3.11Å | ||
| 100 | K | 73.6 | Confident | 74.9 | Confident | 203 Ų | 203 | 120.2 Ų | 120.2 | 88% | 0.883 | 66% | 0.656 | S | S | * | * | trans | -65.4 | 108.7 | 167.2 | -92.2 | 176.8 | 167.1 | -180 | 0 | 104.2 | K98 G102 | K98-K100 PolarHBondContact O-N 2.86Å; K100-G102 PolarHBondContact O-N 2.76Å | ||
| 101 | L | 73.9 | Confident | 77.2 | Confident | 146 Ų | 146 | 118.9 Ų | 118.9 | 76% | 0.764 | 64% | 0.644 | S | S | * | * | trans | -52.2 | 114.9 | 167.2 | -169.3 | 60.6 | 0 | 0 | 0 | 105.3 | P99 T104 | P99-L101 PolarHBondContact O-N 3.11Å; L101-T104 HydrophobicContact CD1-CG2 3.77Å; L101-T104 HydrophobicContact CD2-CG2 4.11Å; L101-T104 HydrophobicContact CG-CG2 3.74Å | ||
| 102 | G | 82.8 | Confident | 79.3 | Confident | 57 Ų | 57 | 116.9 Ų | 116.9 | 59% | 0.588 | 63% | 0.633 | S | S | * | * | trans | -64.3 | -172.9 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | K100 T104 | K100-G102 PolarHBondContact O-N 2.76Å; G102-T104 PolarHBondContact O-N 3.37Å; G102-T104 VanDerWaalsContact O-N 3.14Å | ||
| 103 | D | 88.8 | Confident | 81.4 | Confident | 147 Ų | 147 | 115.9 Ų | 115.9 | 79% | 0.786 | 62% | 0.622 | S | S | * | * | trans | -61.4 | 120 | 170.2 | -169.7 | 4.8 | 0 | 0 | 0 | 109.6 | K105 | D103-K105 VanDerWaalsContact OD1-CB 3.22Å; D103-K105 WeakPolarHBondContact OD1-CB 3.1Å; D103-K105 PolarHBondContact OD1-N 3.25Å; D103-K105 VanDerWaalsContact OD1-N 3.08Å | ||
| 104 | T | 93 | Very high | 83.5 | Confident | 41 Ų | 41 | 114.1 Ų | 114.1 | 25% | 0.252 | 61% | 0.606 | S | S | . | * | trans | -98.8 | 6.1 | 178.2 | 47 | 0 | 0 | 0 | 0 | 112.5 | L101 G102 E106 L107 E108 | L101-T104 HydrophobicContact CD1-CG2 3.77Å; L101-T104 HydrophobicContact CD2-CG2 4.11Å; L101-T104 HydrophobicContact CG-CG2 3.74Å; G102-T104 PolarHBondContact O-N 3.37Å; G102-T104 VanDerWaalsContact O-N 3.14Å; T104-E106 VanDerWaalsContact C-N 3.33Å; T104-E106 PolarHBondContact O-N 3.31Å; T104-L107 WeakPolarHBondContact O-CB 3.15Å; T104-L107 PolarHBondContact O-N 2.85Å; T104-E108 WeakPolarHBondContact CB-OE1 3.37Å; T104-E108 WeakPolarHBondContact O-CG 3.49Å; T104-E108 PolarHBondContact O-N 3.39Å; T104-E108 PolarHBondContact OG1-OE1 3.36Å | ||
| 105 | K | 95.8 | Very high | 85.4 | Confident | 101 Ų | 101 | 111.1 Ų | 111.1 | 44% | 0.439 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -55.3 | -42.7 | -175.7 | -169.9 | -168.5 | -177.8 | -43 | 0 | 113.7 | D103 L107 E108 D109 | D103-K105 VanDerWaalsContact OD1-CB 3.22Å; D103-K105 WeakPolarHBondContact OD1-CB 3.1Å; D103-K105 PolarHBondContact OD1-N 3.25Å; D103-K105 VanDerWaalsContact OD1-N 3.08Å; K105-L107 VanDerWaalsContact C-N 3.28Å; K105-L107 PolarHBondContact O-N 3.12Å; K105-E108 PolarHBondContact O-N 3.06Å; K105-D109 IonicContact NZ-OD1 3.77Å; K105-D109 PolarHBondContact NZ-OD1 3.13Å; K105-D109 IonicContact NZ-OD2 2.88Å; K105-D109 PolarHBondContact NZ-OD2 2.92Å; K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.01Å |
| 106 | E | 95.5 | Very high | 87.2 | Confident | 169 Ų | 169 | 110.2 Ų | 110.2 | 79% | 0.79 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.3 | -37.6 | 178.7 | -175.2 | -179.5 | -176.6 | 0 | 0 | 112 | T104 F110 | T104-E106 VanDerWaalsContact C-N 3.33Å; T104-E106 PolarHBondContact O-N 3.31Å; E106-F110 WeakPolarHBondContact O-CB 3.5Å; E106-F110 PolarHBondContact O-N 3.32Å |
| 107 | L | 95.7 | Very high | 88.9 | Confident | 104 Ų | 104 | 110.1 Ų | 110.1 | 55% | 0.545 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.5 | -40.2 | 177.1 | -179.2 | 61.9 | 0 | 0 | 0 | 111.2 | T104 K105 F110 I111 | T104-L107 WeakPolarHBondContact O-CB 3.15Å; T104-L107 PolarHBondContact O-N 2.85Å; K105-L107 VanDerWaalsContact C-N 3.28Å; K105-L107 PolarHBondContact O-N 3.12Å; L107-F110 PolarHBondContact O-N 3.26Å; L107-I111 HydrophobicContact CD1-CD1 4.33Å; L107-I111 HydrophobicContact CG-CD1 4.1Å; L107-I111 VanDerWaalsContact O-CG1 3.27Å; L107-I111 WeakPolarHBondContact O-CG1 3.18Å; L107-I111 PolarHBondContact O-N 3.37Å |
| 108 | E | 96.1 | Very high | 90.4 | Very high | 107 Ų | 107 | 109.7 Ų | 109.7 | 50% | 0.5 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.7 | -43.2 | 176.1 | -68.1 | 157.4 | -155 | 0 | 0 | 111.7 | T104 K105 I111 A112 | T104-E108 WeakPolarHBondContact CB-OE1 3.37Å; T104-E108 WeakPolarHBondContact O-CG 3.49Å; T104-E108 PolarHBondContact O-N 3.39Å; T104-E108 PolarHBondContact OG1-OE1 3.36Å; K105-E108 PolarHBondContact O-N 3.06Å; E108-I111 PolarHBondContact O-N 3.02Å; E108-A112 PolarHBondContact O-N 3.16Å |
| 109 | D | 97.6 | Very high | 91.7 | Very high | 79 Ų | 79 | 108.4 Ų | 108.4 | 42% | 0.422 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.4 | -43.7 | 176.3 | -67.8 | -18.2 | 0 | 0 | 0 | 110.9 | K105 I111 A112 D113 | K105-D109 IonicContact NZ-OD1 3.77Å; K105-D109 PolarHBondContact NZ-OD1 3.13Å; K105-D109 IonicContact NZ-OD2 2.88Å; K105-D109 PolarHBondContact NZ-OD2 2.92Å; K105-D109 VanDerWaalsContact O-CG 3.26Å; K105-D109 PolarHBondContact O-N 3.01Å; D109-I111 PolarHBondContact O-N 2.99Å; D109-A112 PolarHBondContact O-N 3.22Å; D109-D113 PolarHBondContact O-N 3.08Å |
| 110 | F | 97.4 | Very high | 92.7 | Very high | 127 Ų | 127 | 107.5 Ų | 107.5 | 56% | 0.557 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -62 | -42.3 | 177.3 | 177 | -103.5 | 0 | 0 | 0 | 112.8 | E106 L107 D113 L114 | E106-F110 WeakPolarHBondContact O-CB 3.5Å; E106-F110 PolarHBondContact O-N 3.32Å; L107-F110 PolarHBondContact O-N 3.26Å; F110-D113 PolarHBondContact O-N 2.86Å; F110-L114 HydrophobicContact CD1-CD1 3.89Å; F110-L114 HydrophobicContact CE1-CD1 3.25Å; F110-L114 HydrophobicContact CE1-CG 4.33Å; F110-L114 HydrophobicContact CE2-CD1 4.38Å; F110-L114 HydrophobicContact CZ-CD1 3.54Å; F110-L114 HydrophobicContact CZ-CG 4.27Å; F110-L114 WeakPolarHBondContact O-CB 3.48Å; F110-L114 PolarHBondContact O-N 3.41Å |
| 111 | I | 97.9 | Very high | 92.9 | Very high | 83 Ų | 83 | 107.6 Ų | 107.6 | 43% | 0.426 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -62.9 | -45.3 | 176.4 | -68.3 | 165.1 | 0 | 0 | 0 | 110.2 | L107 E108 D109 D113 L114 D115 | L107-I111 HydrophobicContact CD1-CD1 4.33Å; L107-I111 HydrophobicContact CG-CD1 4.1Å; L107-I111 VanDerWaalsContact O-CG1 3.27Å; L107-I111 WeakPolarHBondContact O-CG1 3.18Å; L107-I111 PolarHBondContact O-N 3.37Å; E108-I111 PolarHBondContact O-N 3.02Å; D109-I111 PolarHBondContact O-N 2.99Å; I111-D113 VanDerWaalsContact C-N 3.32Å; I111-D113 PolarHBondContact O-N 3.1Å; I111-L114 WeakPolarHBondContact O-CB 3.43Å; I111-L114 PolarHBondContact O-N 2.7Å; I111-L114 VanDerWaalsContact O-N 3.17Å; I111-D115 PolarHBondContact O-N 2.91Å |
| 112 | A | 97.3 | Very high | 93.9 | Very high | 47 Ų | 47 | 105.7 Ų | 105.7 | 39% | 0.388 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -62.8 | -37.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | E108 D109 R116 | E108-A112 PolarHBondContact O-N 3.16Å; D109-A112 PolarHBondContact O-N 3.22Å; A112-R116 WeakPolarHBondContact O-CB 3.21Å; A112-R116 PolarHBondContact O-N 2.88Å |
| 113 | D | 97.7 | Very high | 94.4 | Very high | 86 Ų | 86 | 108.2 Ų | 108.2 | 46% | 0.46 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -72.8 | -32.9 | 175.6 | -76.9 | -15.2 | 0 | 0 | 0 | 112.6 | D109 F110 I111 R116 T117 | D109-D113 PolarHBondContact O-N 3.08Å; F110-D113 PolarHBondContact O-N 2.86Å; I111-D113 VanDerWaalsContact C-N 3.32Å; I111-D113 PolarHBondContact O-N 3.1Å; D113-R116 IonicContact OD1-CZ 3.69Å; D113-R116 IonicContact OD1-NE 3.52Å; D113-R116 IonicContact OD1-NH2 2.95Å; D113-R116 PolarHBondContact OD1-NH2 3Å; D113-T117 WeakPolarHBondContact O-CB 3.46Å; D113-T117 PolarHBondContact O-N 2.83Å; D113-T117 PolarHBondContact O-OG1 3.31Å |
| 114 | L | 97.8 | Very high | 94.8 | Very high | 74 Ų | 74 | 106.1 Ų | 106.1 | 39% | 0.387 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -51.1 | 170 | -107.3 | 166.3 | 0 | 0 | 0 | 111.4 | F110 I111 R116 T117 L118 | F110-L114 HydrophobicContact CD1-CD1 3.89Å; F110-L114 HydrophobicContact CE1-CD1 3.25Å; F110-L114 HydrophobicContact CE1-CG 4.33Å; F110-L114 HydrophobicContact CE2-CD1 4.38Å; F110-L114 HydrophobicContact CZ-CD1 3.54Å; F110-L114 HydrophobicContact CZ-CG 4.27Å; F110-L114 WeakPolarHBondContact O-CB 3.48Å; F110-L114 PolarHBondContact O-N 3.41Å; I111-L114 WeakPolarHBondContact O-CB 3.43Å; I111-L114 PolarHBondContact O-N 2.7Å; I111-L114 VanDerWaalsContact O-N 3.17Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 3.41Å; L114-T117 WeakPolarHBondContact O-CB 3.34Å; L114-T117 PolarHBondContact O-N 3.42Å; L114-T117 VanDerWaalsContact O-N 3.07Å; L114-L118 WeakPolarHBondContact O-CG 3.32Å; L114-L118 PolarHBondContact O-N 3.1Å |
| 115 | D | 97.2 | Very high | 94.9 | Very high | 83 Ų | 83 | 109.9 Ų | 109.9 | 44% | 0.444 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -58.4 | -45.8 | 179.2 | -73.3 | -21.3 | 0 | 0 | 0 | 110.7 | I111 T117 L118 E119 | I111-D115 PolarHBondContact O-N 2.91Å; D115-T117 VanDerWaalsContact C-N 3.28Å; D115-T117 PolarHBondContact O-N 3Å; D115-L118 PolarHBondContact O-N 3.49Å; D115-E119 WeakPolarHBondContact O-CB 3.43Å; D115-E119 WeakPolarHBondContact O-CG 3.5Å; D115-E119 PolarHBondContact O-N 3.21Å |
| 116 | R | 96.4 | Very high | 94.8 | Very high | 151 Ų | 151 | 110.4 Ų | 110.4 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -57.9 | -40.2 | 175 | -169.4 | -161 | -41 | -72.8 | -4.7 | 112.7 | A112 D113 L114 S120 | A112-R116 WeakPolarHBondContact O-CB 3.21Å; A112-R116 PolarHBondContact O-N 2.88Å; D113-R116 IonicContact OD1-CZ 3.69Å; D113-R116 IonicContact OD1-NE 3.52Å; D113-R116 IonicContact OD1-NH2 2.95Å; D113-R116 PolarHBondContact OD1-NH2 3Å; L114-R116 VanDerWaalsContact C-N 3.33Å; L114-R116 PolarHBondContact O-N 3.41Å; R116-S120 WeakPolarHBondContact O-CB 3.45Å; R116-S120 PolarHBondContact O-N 2.98Å; R116-S120 VanDerWaalsContact O-N 3.15Å |
| 117 | T | 96.8 | Very high | 94.8 | Very high | 76 Ų | 76 | 106.5 Ų | 106.5 | 47% | 0.466 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -68.9 | -40.3 | 179.4 | -58.4 | 0 | 0 | 0 | 0 | 110.9 | D113 L114 D115 S120 M121 | D113-T117 WeakPolarHBondContact O-CB 3.46Å; D113-T117 PolarHBondContact O-N 2.83Å; D113-T117 PolarHBondContact O-OG1 3.31Å; L114-T117 WeakPolarHBondContact O-CB 3.34Å; L114-T117 PolarHBondContact O-N 3.42Å; L114-T117 VanDerWaalsContact O-N 3.07Å; D115-T117 VanDerWaalsContact C-N 3.28Å; D115-T117 PolarHBondContact O-N 3Å; T117-S120 PolarHBondContact O-N 3.49Å; T117-M121 HydrophobicContact CG2-CE 4.13Å; T117-M121 PolarHBondContact O-N 2.9Å |
| 118 | L | 96.1 | Very high | 94.7 | Very high | 107 Ų | 107 | 106.7 Ų | 106.7 | 56% | 0.56 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.3 | -37.2 | 177.2 | -67.7 | 175.3 | 0 | 0 | 0 | 112.4 | L114 D115 S120 M121 | L114-L118 WeakPolarHBondContact O-CG 3.32Å; L114-L118 PolarHBondContact O-N 3.1Å; D115-L118 PolarHBondContact O-N 3.49Å; L118-S120 PolarHBondContact O-N 3.08Å; L118-M121 PolarHBondContact O-N 3.31Å |
| 119 | E | 94.3 | Very high | 94.6 | Very high | 165 Ų | 165 | 106.7 Ų | 106.7 | 77% | 0.771 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.9 | -21.5 | 174.5 | -72.7 | 178.1 | 175.6 | 0 | 0 | 113.1 | D115 | D115-E119 WeakPolarHBondContact O-CB 3.43Å; D115-E119 WeakPolarHBondContact O-CG 3.5Å; D115-E119 PolarHBondContact O-N 3.21Å |
| 120 | S | 84.4 | Confident | 94.3 | Very high | 104 Ų | 104 | 109 Ų | 109 | 73% | 0.727 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -7.2 | 178.6 | -177.2 | 0 | 0 | 0 | 0 | 114.1 | R116 T117 L118 | R116-S120 WeakPolarHBondContact O-CB 3.45Å; R116-S120 PolarHBondContact O-N 2.98Å; R116-S120 VanDerWaalsContact O-N 3.15Å; T117-S120 PolarHBondContact O-N 3.49Å; L118-S120 PolarHBondContact O-N 3.08Å |
| 121 | M | 78.4 | Confident | 94 | Very high | 205 Ų | 205 | 107.4 Ų | 107.4 | 100% | 1.01 | 57% | 0.565 | S | S | * | * | trans | -92.2 | 0 | 172.4 | -73.6 | -168.1 | -160.3 | 0 | 0 | 111.3 | T117 L118 | T117-M121 HydrophobicContact CG2-CE 4.13Å; T117-M121 PolarHBondContact O-N 2.9Å; L118-M121 PolarHBondContact O-N 3.31Å |
Retrieved 121 of 121 residues in 152.7 ms
(Link to these results)