| 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 | 32.3 | Very low | 32.3 | Very low | 225 Ų | 225 | 150.1 Ų | 150.1 | 100% | 1.108 | 85% | 0.847 | S | S | * | * | 0 | 116.2 | 0 | -88.3 | -176.2 | -155.5 | 0 | 0 | 107.6 | |||||
| 2 | F | 29.1 | Very low | 32.5 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 88% | 0.882 | 85% | 0.845 | S | S | * | * | trans | 49.1 | 142.1 | 157.6 | -61.3 | -83.2 | 0 | 0 | 0 | 119.3 | ||||
| 3 | S | 28.3 | Very low | 32.7 | Very low | 104 Ų | 104 | 145.3 Ų | 145.3 | 73% | 0.727 | 83% | 0.833 | S | S | * | * | cis | -176.3 | 127.2 | -10.6 | 179.5 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 4 | S | 30.2 | Very low | 32.8 | Very low | 129 Ų | 129 | 144.2 Ų | 144.2 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -120 | 111.1 | 168.4 | -166.8 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 5 | A | 34.2 | Very low | 32.9 | Very low | 87 Ų | 87 | 145.5 Ų | 145.5 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | trans | -100.5 | 128.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 6 | C | 33.4 | Very low | 32.9 | Very low | 120 Ų | 120 | 146.1 Ų | 146.1 | 81% | 0.811 | 81% | 0.813 | S | S | * | * | trans | -57.1 | 139.2 | 162.6 | -76.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 7 | C | 28.4 | Very low | 33 | Very low | 132 Ų | 132 | 146.4 Ų | 146.4 | 89% | 0.892 | 81% | 0.807 | S | S | * | * | trans | -141.6 | 98.7 | 150.8 | -104 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 8 | F | 31.3 | Very low | 33.2 | Very low | 202 Ų | 202 | 143.1 Ų | 143.1 | 89% | 0.886 | 79% | 0.792 | S | S | * | * | trans | -81.3 | 119.8 | 160.9 | -102.8 | -91.9 | 0 | 0 | 0 | 107.1 | L10 | F8-L10 PolarHBondContact O-N 2.81Š| ||
| 9 | S | 30.7 | Very low | 33.2 | Very low | 102 Ų | 102 | 138.8 Ų | 138.8 | 71% | 0.713 | 77% | 0.773 | S | S | * | * | trans | -79.6 | 113 | 174.4 | -178.2 | 0 | 0 | 0 | 0 | 109.2 | K11 | S9-K11 PolarHBondContact O-N 2.87Š| ||
| 10 | L | 40.3 | Very low | 33.4 | Very low | 174 Ų | 174 | 135.7 Ų | 135.7 | 91% | 0.911 | 76% | 0.757 | S | S | * | * | trans | -74.9 | 100.2 | 158.8 | -90.6 | 143.6 | 0 | 0 | 0 | 108 | F8 | F8-L10 PolarHBondContact O-N 2.81Š| ||
| 11 | K | 37.1 | Very low | 33.5 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | -166.4 | 113.5 | 160.9 | -99.9 | 172.9 | -170.8 | -172.8 | 0 | 104.8 | S9 | S9-K11 PolarHBondContact O-N 2.87Š| ||
| 12 | D | 35 | Very low | 33.8 | Very low | 154 Ų | 154 | 126.2 Ų | 126.2 | 82% | 0.824 | 71% | 0.713 | S | S | * | * | S | Bend | trans | 166.6 | 2.9 | 158.8 | -81.5 | -12.3 | 0 | 0 | 0 | 112.8 | ||
| 13 | A | 34.9 | Very low | 34.3 | Very low | 84 Ų | 84 | 120.7 Ų | 120.7 | 69% | 0.694 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -92.1 | 3.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 14 | N | 33.8 | Very low | 35 | Very low | 130 Ų | 130 | 122.2 Ų | 122.2 | 70% | 0.695 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -115.4 | -6.2 | -169.2 | -119.3 | 36 | 0 | 0 | 0 | 115.9 | T18 | N14-T18 PolarHBondContact O-OG1 2.59Å; N14-T18 VanDerWaalsContact O-OG1 3.09Å |
| 15 | E | 35.3 | Very low | 35.9 | Very low | 163 Ų | 163 | 118.6 Ų | 118.6 | 76% | 0.762 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -96.5 | -24.6 | 179.1 | -76.1 | -177 | 171.5 | 0 | 0 | 113.2 | T18 S19 | E15-T18 PolarHBondContact O-OG1 2.73Å; E15-S19 PolarHBondContact O-N 2.84Å |
| 16 | E | 33 | Very low | 36.6 | Very low | 155 Ų | 155 | 120.7 Ų | 120.7 | 72% | 0.724 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -76.1 | -41.1 | 176.9 | -77.3 | -174.3 | 158.3 | 0 | 0 | 112.6 | T18 S19 V20 | E16-T18 VanDerWaalsContact C-N 3.33Å; E16-T18 PolarHBondContact O-N 3.12Å; E16-S19 PolarHBondContact O-N 2.81Å; E16-S19 PolarHBondContact O-OG 2.83Å; E16-V20 WeakPolarHBondContact O-CG2 3.48Å; E16-V20 PolarHBondContact O-N 3.24Å |
| 17 | E | 34.6 | Very low | 37.6 | Very low | 152 Ų | 152 | 117.7 Ų | 117.7 | 71% | 0.71 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -65.7 | -31.4 | 179.5 | -78.8 | -173.9 | 166 | 0 | 0 | 113.4 | G21 | E17-G21 PolarHBondContact O-N 3.28Å |
| 18 | T | 35 | Very low | 38.9 | Very low | 86 Ų | 86 | 113.7 Ų | 113.7 | 53% | 0.528 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -74.2 | -37.5 | 177.1 | 32.6 | 0 | 0 | 0 | 0 | 112.2 | N14 E15 E16 E22 | N14-T18 PolarHBondContact O-OG1 2.59Å; N14-T18 VanDerWaalsContact O-OG1 3.09Å; E15-T18 PolarHBondContact O-OG1 2.73Å; E16-T18 VanDerWaalsContact C-N 3.33Å; E16-T18 PolarHBondContact O-N 3.12Å; T18-E22 WeakPolarHBondContact O-CG 3.43Å; T18-E22 PolarHBondContact O-N 3.48Å; T18-E22 VanDerWaalsContact O-N 3.12Å |
| 19 | S | 34.6 | Very low | 40.1 | Very low | 63 Ų | 63 | 104.9 Ų | 104.9 | 44% | 0.441 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -71 | -37 | 178.7 | 78.4 | 0 | 0 | 0 | 0 | 113.5 | E15 E16 T23 | E15-S19 PolarHBondContact O-N 2.84Å; E16-S19 PolarHBondContact O-N 2.81Å; E16-S19 PolarHBondContact O-OG 2.83Å; S19-T23 PolarHBondContact O-N 3.47Å; S19-T23 VanDerWaalsContact O-N 3.15Å; S19-T23 PolarHBondContact O-OG1 3.27Å |
| 20 | V | 36.6 | Very low | 41.6 | Very low | 75 Ų | 75 | 103.6 Ų | 103.6 | 46% | 0.455 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.6 | -41.9 | 177.2 | 176.7 | 0 | 0 | 0 | 0 | 110.4 | E16 E22 T23 E24 | E16-V20 WeakPolarHBondContact O-CG2 3.48Å; E16-V20 PolarHBondContact O-N 3.24Å; V20-E22 PolarHBondContact O-N 3.28Å; V20-T23 WeakPolarHBondContact CA-OG1 3.31Å; V20-T23 PolarHBondContact O-N 3.44Å; V20-T23 PolarHBondContact O-OG1 2.87Å; V20-E24 PolarHBondContact O-N 3.22Å |
| 21 | G | 35.4 | Very low | 43.3 | Very low | 32 Ų | 32 | 97.3 Ų | 97.3 | 33% | 0.33 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -38.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | E17 T25 | E17-G21 PolarHBondContact O-N 3.28Å; G21-T25 WeakPolarHBondContact O-CB 3.07Å; G21-T25 PolarHBondContact O-N 3.44Å; G21-T25 VanDerWaalsContact O-N 3.07Å; G21-T25 PolarHBondContact O-OG1 2.97Å |
| 22 | E | 38.3 | Very low | 45.3 | Very low | 131 Ų | 131 | 89.1 Ų | 89.1 | 61% | 0.612 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.3 | -37 | 176.5 | -76.8 | -175.9 | 169.6 | 0 | 0 | 113.1 | T18 V20 M26 | T18-E22 WeakPolarHBondContact O-CG 3.43Å; T18-E22 PolarHBondContact O-N 3.48Å; T18-E22 VanDerWaalsContact O-N 3.12Å; V20-E22 PolarHBondContact O-N 3.28Å; E22-M26 WeakPolarHBondContact O-CB 3.22Å; E22-M26 WeakPolarHBondContact O-CG 3.49Å; E22-M26 PolarHBondContact O-N 3.47Å |
| 23 | T | 39.9 | Very low | 47.6 | Very low | 84 Ų | 84 | 82 Ų | 82 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73 | -41.1 | 178.7 | 30.5 | 0 | 0 | 0 | 0 | 112.8 | S19 V20 T25 M26 A27 | S19-T23 PolarHBondContact O-N 3.47Å; S19-T23 VanDerWaalsContact O-N 3.15Å; S19-T23 PolarHBondContact O-OG1 3.27Å; V20-T23 WeakPolarHBondContact CA-OG1 3.31Å; V20-T23 PolarHBondContact O-N 3.44Å; V20-T23 PolarHBondContact O-OG1 2.87Å; T23-T25 VanDerWaalsContact C-N 3.33Å; T23-M26 PolarHBondContact O-N 3.32Å; T23-A27 WeakPolarHBondContact O-CB 3.44Å; T23-A27 PolarHBondContact O-N 3.41Å |
| 24 | E | 42.6 | Very low | 50.2 | Low | 137 Ų | 137 | 81.9 Ų | 81.9 | 64% | 0.64 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -37.2 | 171.8 | -76.1 | -173.9 | 161 | 0 | 0 | 112.2 | V20 A27 S28 | V20-E24 PolarHBondContact O-N 3.22Å; E24-A27 PolarHBondContact O-N 3.49Å; E24-S28 WeakPolarHBondContact O-CB 3.43Å; E24-S28 PolarHBondContact O-N 2.87Å; E24-S28 PolarHBondContact O-OG 3.49Å |
| 25 | T | 49 | Very low | 52.9 | Low | 53 Ų | 53 | 75.9 Ų | 75.9 | 33% | 0.325 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -67.4 | -38 | 176 | -63.6 | 0 | 0 | 0 | 0 | 112.4 | G21 T23 S28 S29 | G21-T25 WeakPolarHBondContact O-CB 3.07Å; G21-T25 PolarHBondContact O-N 3.44Å; G21-T25 VanDerWaalsContact O-N 3.07Å; G21-T25 PolarHBondContact O-OG1 2.97Å; T23-T25 VanDerWaalsContact C-N 3.33Å; T25-S28 WeakPolarHBondContact CA-OG 3.44Å; T25-S28 PolarHBondContact O-OG 2.89Å; T25-S29 VanDerWaalsContact O-CB 3.29Å; T25-S29 WeakPolarHBondContact O-CB 3.34Å; T25-S29 PolarHBondContact O-N 3Å |
| 26 | M | 50.4 | Low | 55.6 | Low | 130 Ų | 130 | 68.2 Ų | 68.2 | 64% | 0.64 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -71.3 | -38.3 | 174.4 | -78.3 | -154.3 | -91.1 | 0 | 0 | 112.1 | E22 T23 S30 | E22-M26 WeakPolarHBondContact O-CB 3.22Å; E22-M26 WeakPolarHBondContact O-CG 3.49Å; E22-M26 PolarHBondContact O-N 3.47Å; T23-M26 PolarHBondContact O-N 3.32Å; M26-S30 WeakPolarHBondContact O-CB 3.5Å; M26-S30 PolarHBondContact O-N 2.79Å |
| 27 | A | 52.8 | Low | 58.5 | Low | 57 Ų | 57 | 60.9 Ų | 60.9 | 47% | 0.471 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.3 | -46.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | T23 E24 S30 S31 | T23-A27 WeakPolarHBondContact O-CB 3.44Å; T23-A27 PolarHBondContact O-N 3.41Å; E24-A27 PolarHBondContact O-N 3.49Å; A27-S30 PolarHBondContact O-N 3.03Å; A27-S30 PolarHBondContact O-OG 2.76Å; A27-S31 PolarHBondContact O-N 2.83Å; A27-S31 VanDerWaalsContact O-N 3.15Å |
| 28 | S | 55.7 | Low | 61.4 | Low | 48 Ų | 48 | 55.7 Ų | 55.7 | 34% | 0.336 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.6 | -40.7 | 176.2 | 55.6 | 0 | 0 | 0 | 0 | 112.6 | E24 T25 S30 S31 L32 | E24-S28 WeakPolarHBondContact O-CB 3.43Å; E24-S28 PolarHBondContact O-N 2.87Å; E24-S28 PolarHBondContact O-OG 3.49Å; T25-S28 WeakPolarHBondContact CA-OG 3.44Å; T25-S28 PolarHBondContact O-OG 2.89Å; S28-S30 VanDerWaalsContact C-N 3.33Å; S28-S30 PolarHBondContact O-N 3.26Å; S28-S31 PolarHBondContact O-N 2.95Å; S28-L32 PolarHBondContact O-N 3.46Å; S28-L32 VanDerWaalsContact O-N 3.14Å |
| 29 | S | 58.1 | Low | 64.4 | Low | 18 Ų | 18 | 51.6 Ų | 51.6 | 13% | 0.126 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.6 | -38 | 172.3 | -177.1 | 0 | 0 | 0 | 0 | 112.6 | T25 S31 S33 | T25-S29 VanDerWaalsContact O-CB 3.29Å; T25-S29 WeakPolarHBondContact O-CB 3.34Å; T25-S29 PolarHBondContact O-N 3Å; S29-S31 VanDerWaalsContact C-N 3.29Å; S29-S31 PolarHBondContact O-N 2.68Å; S29-S33 VanDerWaalsContact O-CB 3.3Å; S29-S33 WeakPolarHBondContact O-CB 3.36Å; S29-S33 PolarHBondContact O-N 2.6Å |
| 30 | S | 62.3 | Low | 67.3 | Low | 74 Ų | 74 | 48.6 Ų | 48.6 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.1 | -36.2 | 177.6 | 83 | 0 | 0 | 0 | 0 | 111.8 | M26 A27 S28 S33 K34 | M26-S30 WeakPolarHBondContact O-CB 3.5Å; M26-S30 PolarHBondContact O-N 2.79Å; A27-S30 PolarHBondContact O-N 3.03Å; A27-S30 PolarHBondContact O-OG 2.76Å; S28-S30 VanDerWaalsContact C-N 3.33Å; S28-S30 PolarHBondContact O-N 3.26Å; S30-S33 PolarHBondContact O-N 3.47Å; S30-K34 PolarHBondContact O-N 3.31Å |
| 31 | S | 75.6 | Confident | 70.2 | Confident | 42 Ų | 42 | 45.3 Ų | 45.3 | 29% | 0.294 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -72.3 | -44.1 | -178.7 | -156.6 | 0 | 0 | 0 | 0 | 112.5 | A27 S28 S29 S33 K34 A35 W91 | A27-S31 PolarHBondContact O-N 2.83Å; A27-S31 VanDerWaalsContact O-N 3.15Å; S28-S31 PolarHBondContact O-N 2.95Å; S29-S31 VanDerWaalsContact C-N 3.29Å; S29-S31 PolarHBondContact O-N 2.68Å; S31-S33 VanDerWaalsContact C-N 3.33Å; S31-S33 PolarHBondContact O-N 3.42Å; S31-K34 PolarHBondContact O-N 2.82Å; S31-A35 PolarHBondContact O-N 3.23Å; S31-W91 WeakPolarHBondContact OG-CH2 3.46Å; S31-W91 WeakPolarHBondContact OG-CZ2 3.47Å |
| 32 | L | 78.9 | Confident | 73.1 | Confident | 4 Ų | 4 | 44.8 Ų | 44.8 | 2% | 0.021 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.9 | -38.8 | 172.6 | -179.6 | 67 | 0 | 0 | 0 | 111.7 | S28 K34 A35 N36 I88 V95 L98 F99 I102 | S28-L32 PolarHBondContact O-N 3.46Å; S28-L32 VanDerWaalsContact O-N 3.14Å; L32-K34 VanDerWaalsContact C-N 3.29Å; L32-K34 PolarHBondContact O-N 3.08Å; L32-A35 PolarHBondContact O-N 3.38Å; L32-N36 VanDerWaalsContact O-CB 3.29Å; L32-N36 WeakPolarHBondContact O-CB 3.46Å; L32-N36 PolarHBondContact O-N 3.15Å; L32-I88 HydrophobicContact CD1-CG2 4.11Å; L32-V95 HydrophobicContact CD1-CG2 4.17Å; L32-L98 HydrophobicContact CB-CD2 3.34Å; L32-L98 HydrophobicContact CB-CG 4.35Å; L32-L98 HydrophobicContact CD2-CB 4.14Å; L32-L98 HydrophobicContact CD2-CD2 3.39Å; L32-L98 HydrophobicContact CD2-CG 3.46Å; L32-L98 VanDerWaalsContact CD2-CG 3.46Å; L32-L98 HydrophobicContact CG-CD2 3.93Å; L32-F99 HydrophobicContact CD1-CE2 4.37Å; L32-F99 HydrophobicContact CD1-CZ 4.16Å; L32-F99 HydrophobicContact CD2-CE1 4.48Å; L32-I102 HydrophobicContact CD2-CD1 3.84Å |
| 33 | S | 83.1 | Confident | 75.9 | Confident | 5 Ų | 5 | 38.6 Ų | 38.6 | 4% | 0.035 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -59.4 | -43 | 176.3 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | S29 S30 S31 T37 T395 K396 T397 | S29-S33 VanDerWaalsContact O-CB 3.3Å; S29-S33 WeakPolarHBondContact O-CB 3.36Å; S29-S33 PolarHBondContact O-N 2.6Å; S30-S33 PolarHBondContact O-N 3.47Å; S31-S33 VanDerWaalsContact C-N 3.33Å; S31-S33 PolarHBondContact O-N 3.42Å; S33-T37 VanDerWaalsContact O-CB 3.31Å; S33-T37 WeakPolarHBondContact O-CB 3.43Å; S33-T37 PolarHBondContact O-N 3.14Å; S33-T37 PolarHBondContact O-OG1 2.94Å; S33-T395 VanDerWaalsContact CB-O 3.31Å; S33-T395 WeakPolarHBondContact CB-O 3.27Å; S33-T395 PolarHBondContact OG-O 3.21Å; S33-K396 PolarHBondContact OG-O 3.01Å; S33-T397 PolarHBondContact OG-N 3.32Å |
| 34 | K | 89.2 | Confident | 78.6 | Confident | 81 Ų | 81 | 34.8 Ų | 34.8 | 35% | 0.352 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -62.9 | -45.6 | 173.4 | -175.1 | 175 | -176.4 | 172.3 | 0 | 112 | S30 S31 L32 T37 T38 E285 M288 | S30-K34 PolarHBondContact O-N 3.31Å; S31-K34 PolarHBondContact O-N 2.82Å; L32-K34 VanDerWaalsContact C-N 3.29Å; L32-K34 PolarHBondContact O-N 3.08Å; K34-T37 PolarHBondContact O-N 3.23Å; K34-T38 WeakPolarHBondContact O-CB 3.23Å; K34-T38 PolarHBondContact O-N 2.91Å; K34-T38 PolarHBondContact O-OG1 3.24Å; K34-E285 WeakPolarHBondContact CE-OE1 3.34Å; K34-E285 IonicContact NZ-OE1 2.8Å; K34-E285 PolarHBondContact NZ-OE1 2.92Å; K34-M288 HydrophobicContact CB-CE 4.39Å; K34-M288 HydrophobicContact CB-SD 4.15Å; K34-M288 HydrophobicContact CD-CE 3.7Å; K34-M288 HydrophobicContact CD-SD 4.44Å; K34-M288 HydrophobicContact CG-CE 3.73Å; K34-M288 HydrophobicContact CG-SD 4.13Å |
| 35 | A | 90.8 | Very high | 81.1 | Confident | 4 Ų | 4 | 32.9 Ų | 32.9 | 3% | 0.033 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.4 | -49.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | S31 L32 T37 T38 F39 R87 I88 W91 | S31-A35 PolarHBondContact O-N 3.23Å; L32-A35 PolarHBondContact O-N 3.38Å; A35-T37 VanDerWaalsContact C-N 3.33Å; A35-T37 PolarHBondContact O-N 3.45Å; A35-T38 WeakPolarHBondContact O-CB 3.37Å; A35-T38 PolarHBondContact O-N 2.84Å; A35-F39 WeakPolarHBondContact O-CB 3.42Å; A35-F39 PolarHBondContact O-N 2.72Å; A35-R87 HydrophobicContact CB-CB 4.24Å; A35-R87 WeakPolarHBondContact CB-O 3.07Å; A35-I88 HydrophobicContact CB-CG2 3.98Å; A35-W91 HydrophobicContact CB-CZ3 4.24Å |
| 36 | N | 91.7 | Very high | 83.3 | Confident | 2 Ų | 2 | 32.9 Ų | 32.9 | 1% | 0.011 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -62.2 | -38.5 | 177.2 | 178.7 | 78.2 | 0 | 0 | 0 | 112.1 | L32 S40 F61 T397 I398 | L32-N36 VanDerWaalsContact O-CB 3.29Å; L32-N36 WeakPolarHBondContact O-CB 3.46Å; L32-N36 PolarHBondContact O-N 3.15Å; N36-S40 WeakPolarHBondContact O-CB 3.36Å; N36-S40 PolarHBondContact O-N 2.92Å; N36-F61 VanDerWaalsContact OD1-CA 3.25Å; N36-F61 WeakPolarHBondContact OD1-CA 3.4Å; N36-F61 PolarHBondContact OD1-N 3.24Å; N36-T397 HydrophobicContact CB-CG2 4.49Å; N36-I398 PolarHBondContact ND2-O 2.94Å |
| 37 | T | 94.5 | Very high | 85.4 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.006 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.3 | -46.2 | 173.6 | -60.2 | 0 | 0 | 0 | 0 | 111 | S33 K34 A35 F39 S40 L41 A284 F287 I398 | S33-T37 VanDerWaalsContact O-CB 3.31Å; S33-T37 WeakPolarHBondContact O-CB 3.43Å; S33-T37 PolarHBondContact O-N 3.14Å; S33-T37 PolarHBondContact O-OG1 2.94Å; K34-T37 PolarHBondContact O-N 3.23Å; A35-T37 VanDerWaalsContact C-N 3.33Å; A35-T37 PolarHBondContact O-N 3.45Å; T37-F39 PolarHBondContact O-N 2.87Å; T37-S40 WeakPolarHBondContact O-CB 3.26Å; T37-S40 PolarHBondContact O-N 3.14Å; T37-L41 HydrophobicContact CG2-CD1 4.1Å; T37-L41 HydrophobicContact CG2-CG 4.48Å; T37-L41 WeakPolarHBondContact O-CG 3.4Å; T37-L41 PolarHBondContact O-N 3.46Å; T37-A284 HydrophobicContact CG2-CB 4.07Å; T37-F287 HydrophobicContact CG2-CB 4.19Å; T37-F287 HydrophobicContact CG2-CD1 3.85Å; T37-F287 HydrophobicContact CG2-CG 4.01Å; T37-I398 HydrophobicContact CG2-CD1 3.87Å |
| 38 | T | 95.9 | Very high | 87.2 | Confident | 43 Ų | 43 | 25.7 Ų | 25.7 | 26% | 0.264 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -60.4 | -46.6 | 177.6 | -51.6 | 0 | 0 | 0 | 0 | 111.3 | K34 A35 A42 R87 A284 | K34-T38 WeakPolarHBondContact O-CB 3.23Å; K34-T38 PolarHBondContact O-N 2.91Å; K34-T38 PolarHBondContact O-OG1 3.24Å; A35-T38 WeakPolarHBondContact O-CB 3.37Å; A35-T38 PolarHBondContact O-N 2.84Å; T38-A42 WeakPolarHBondContact O-CB 3.43Å; T38-A42 PolarHBondContact O-N 2.95Å; T38-R87 HydrophobicContact CG2-CG 3.84Å; T38-A284 VanDerWaalsContact OG1-CB 3.23Å; T38-A284 WeakPolarHBondContact OG1-CB 2.89Å |
| 39 | F | 96.2 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -61.2 | -45.7 | 174.2 | 171.9 | -107 | 0 | 0 | 0 | 111.7 | A35 T37 L41 A42 L43 P60 I63 S64 L67 C85 L86 L320 M323 | A35-F39 WeakPolarHBondContact O-CB 3.42Å; A35-F39 PolarHBondContact O-N 2.72Å; T37-F39 PolarHBondContact O-N 2.87Å; F39-L41 PolarHBondContact O-N 2.78Å; F39-A42 PolarHBondContact O-N 3.46Å; F39-L43 HydrophobicContact CE1-CD2 4.03Å; F39-L43 HydrophobicContact CZ-CD2 3.86Å; F39-L43 VanDerWaalsContact O-CB 3.32Å; F39-L43 WeakPolarHBondContact O-CB 3.27Å; F39-L43 PolarHBondContact O-N 2.79Å; F39-P60 HydrophobicContact CD1-CB 4.21Å; F39-P60 HydrophobicContact CE1-CB 4.45Å; F39-I63 HydrophobicContact CE1-CB 4.18Å; F39-I63 HydrophobicContact CE1-CG2 3.96Å; F39-I63 HydrophobicContact CZ-CB 4.42Å; F39-I63 HydrophobicContact CZ-CG2 3.7Å; F39-S64 WeakPolarHBondContact CD1-OG 3.38Å; F39-S64 VanDerWaalsContact CE1-OG 3.26Å; F39-S64 WeakPolarHBondContact CE1-OG 3.32Å; F39-L67 HydrophobicContact CZ-CD1 4.47Å; F39-C85 WeakPolarHBondContact CD2-O 3.47Å; F39-L86 HydrophobicContact CD2-CD2 4.39Å; F39-L86 HydrophobicContact CE2-CD2 4.3Å; F39-L86 HydrophobicContact CZ-CD2 4.41Å; F39-L320 HydrophobicContact CE2-CD2 4.24Å; F39-L320 HydrophobicContact CZ-CD2 4.42Å; F39-M323 HydrophobicContact CD2-CE 3.83Å; F39-M323 HydrophobicContact CE2-CE 3.8Å |
| 40 | S | 96.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -56.2 | -48.7 | 178.8 | -177.3 | 0 | 0 | 0 | 0 | 112.1 | N36 T37 L43 L44 F58 P60 A401 | N36-S40 WeakPolarHBondContact O-CB 3.36Å; N36-S40 PolarHBondContact O-N 2.92Å; T37-S40 WeakPolarHBondContact O-CB 3.26Å; T37-S40 PolarHBondContact O-N 3.14Å; S40-L43 PolarHBondContact O-N 3.2Å; S40-L44 WeakPolarHBondContact O-CB 3.45Å; S40-L44 PolarHBondContact O-N 3.45Å; S40-F58 WeakPolarHBondContact O-CZ 3.33Å; S40-P60 VanDerWaalsContact CB-CB 3.48Å; S40-P60 WeakPolarHBondContact OG-CG 3.08Å; S40-A401 WeakPolarHBondContact OG-CB 3.43Å |
| 41 | L | 96.9 | Very high | 91.1 | Very high | 5 Ų | 5 | 36.2 Ų | 36.2 | 3% | 0.026 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -71.1 | -37.6 | -177.8 | -63.5 | 176.3 | 0 | 0 | 0 | 111.6 | T37 F39 L44 R45 L282 T283 F287 F389 | T37-L41 HydrophobicContact CG2-CD1 4.1Å; T37-L41 HydrophobicContact CG2-CG 4.48Å; T37-L41 WeakPolarHBondContact O-CG 3.4Å; T37-L41 PolarHBondContact O-N 3.46Å; F39-L41 PolarHBondContact O-N 2.78Å; L41-L44 PolarHBondContact O-N 3.08Å; L41-R45 WeakPolarHBondContact O-CG 3.46Å; L41-R45 PolarHBondContact O-N 3.38Å; L41-L282 HydrophobicContact CD1-CG 4.11Å; L41-L282 HydrophobicContact CD2-CD2 3.56Å; L41-L282 HydrophobicContact CD2-CG 3.82Å; L41-T283 VanDerWaalsContact CD1-C 3.4Å; L41-T283 WeakPolarHBondContact CD1-O 3.45Å; L41-F287 HydrophobicContact CD1-CB 4.24Å; L41-F389 HydrophobicContact CD2-CE1 4.08Å; L41-F389 HydrophobicContact CD2-CZ 4.07Å |
| 42 | A | 96.6 | Very high | 91.7 | Very high | 22 Ų | 22 | 36.8 Ų | 36.8 | 18% | 0.182 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.2 | -42.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T38 F39 R45 K46 M323 | T38-A42 WeakPolarHBondContact O-CB 3.43Å; T38-A42 PolarHBondContact O-N 2.95Å; F39-A42 PolarHBondContact O-N 3.46Å; A42-R45 PolarHBondContact O-N 2.91Å; A42-K46 PolarHBondContact O-N 3.34Å; A42-M323 HydrophobicContact CB-CE 3.86Å |
| 43 | L | 96.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -67 | -42.7 | 177 | -179 | 57.9 | 0 | 0 | 0 | 111.6 | F39 S40 R45 K46 L47 F58 I63 L316 V319 M323 | F39-L43 HydrophobicContact CE1-CD2 4.03Å; F39-L43 HydrophobicContact CZ-CD2 3.86Å; F39-L43 VanDerWaalsContact O-CB 3.32Å; F39-L43 WeakPolarHBondContact O-CB 3.27Å; F39-L43 PolarHBondContact O-N 2.79Å; S40-L43 PolarHBondContact O-N 3.2Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.47Å; L43-K46 PolarHBondContact O-N 2.89Å; L43-L47 HydrophobicContact CD1-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CD2 4.49Å; L43-L47 HydrophobicContact CD1-CG 4.04Å; L43-L47 HydrophobicContact CG-CD1 4.03Å; L43-L47 HydrophobicContact CG-CG 4.34Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 3.49Å; L43-F58 HydrophobicContact CB-CE2 4.1Å; L43-F58 HydrophobicContact CB-CZ 4.2Å; L43-F58 HydrophobicContact CD2-CD2 3.61Å; L43-F58 HydrophobicContact CD2-CE2 3.54Å; L43-F58 HydrophobicContact CD2-CG 4.4Å; L43-F58 HydrophobicContact CD2-CZ 4.28Å; L43-F58 HydrophobicContact CG-CD2 4.25Å; L43-F58 HydrophobicContact CG-CE2 3.85Å; L43-F58 HydrophobicContact CG-CZ 4.09Å; L43-I63 HydrophobicContact CD2-CD1 3.6Å; L43-L316 HydrophobicContact CD1-CD2 4.42Å; L43-V319 HydrophobicContact CD1-CG1 3.45Å; L43-V319 VanDerWaalsContact CD1-CG1 3.45Å; L43-M323 HydrophobicContact CB-CE 4.42Å; L43-M323 HydrophobicContact CD1-SD 4.18Å |
| 44 | L | 96.5 | Very high | 92.9 | Very high | 5 Ų | 5 | 41.4 Ų | 41.4 | 3% | 0.026 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -55.6 | -48.7 | 174.6 | 178.6 | 62.6 | 0 | 0 | 0 | 110.6 | S40 L41 K46 L47 S48 I56 F58 L387 F389 | S40-L44 WeakPolarHBondContact O-CB 3.45Å; S40-L44 PolarHBondContact O-N 3.45Å; L41-L44 PolarHBondContact O-N 3.08Å; L44-K46 PolarHBondContact O-N 3.32Å; L44-L47 PolarHBondContact O-N 3.37Å; L44-S48 WeakPolarHBondContact O-CB 3.41Å; L44-S48 PolarHBondContact O-N 3.37Å; L44-S48 PolarHBondContact O-OG 2.79Å; L44-S48 VanDerWaalsContact O-OG 3.09Å; L44-I56 HydrophobicContact CD1-CB 4.32Å; L44-I56 HydrophobicContact CD1-CD1 4.18Å; L44-I56 HydrophobicContact CD1-CG2 3.85Å; L44-F58 HydrophobicContact CB-CE1 4.06Å; L44-F58 HydrophobicContact CB-CZ 3.93Å; L44-F58 HydrophobicContact CD1-CE1 4Å; L44-L387 HydrophobicContact CD2-CD1 4.27Å; L44-L387 HydrophobicContact CD2-CD2 4.28Å; L44-F389 HydrophobicContact CD2-CZ 4.49Å |
| 45 | R | 95 | Very high | 93.3 | Very high | 96 Ų | 96 | 38.9 Ų | 38.9 | 36% | 0.362 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57 | -47.6 | 176 | -74.2 | 175.9 | 178.5 | 137.1 | 0.2 | 111.9 | L41 A42 L43 L47 S48 E49 E279 L282 | L41-R45 WeakPolarHBondContact O-CG 3.46Å; L41-R45 PolarHBondContact O-N 3.38Å; A42-R45 PolarHBondContact O-N 2.91Å; L43-R45 VanDerWaalsContact C-N 3.32Å; L43-R45 PolarHBondContact O-N 3.47Å; R45-L47 VanDerWaalsContact C-N 3.34Å; R45-L47 PolarHBondContact O-N 2.97Å; R45-S48 WeakPolarHBondContact O-CB 3.41Å; R45-S48 PolarHBondContact O-N 2.97Å; R45-S48 VanDerWaalsContact O-N 3.11Å; R45-E49 PolarHBondContact O-N 3.36Å; R45-E279 PolarHBondContact NE-O 3.42Å; R45-E279 PolarHBondContact NH2-O 2.87Å; R45-L282 PolarHBondContact NH2-O 2.99Å |
| 46 | K | 95.3 | Very high | 93.6 | Very high | 53 Ų | 53 | 39 Ų | 39 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.6 | -38.1 | 178.2 | -73.1 | -50.3 | -166.3 | -179 | 0 | 113.6 | A42 L43 L44 S48 E49 V319 S322 M323 | A42-K46 PolarHBondContact O-N 3.34Å; L43-K46 PolarHBondContact O-N 2.89Å; L44-K46 PolarHBondContact O-N 3.32Å; K46-S48 VanDerWaalsContact C-N 3.28Å; K46-S48 PolarHBondContact O-N 3.1Å; K46-E49 VanDerWaalsContact CD-OE1 3.3Å; K46-E49 WeakPolarHBondContact CD-OE1 3.37Å; K46-E49 VanDerWaalsContact CD-OE2 3.3Å; K46-E49 WeakPolarHBondContact CD-OE2 3.46Å; K46-E49 VanDerWaalsContact NZ-CD 3.26Å; K46-E49 IonicContact NZ-OE1 3.73Å; K46-E49 PolarHBondContact NZ-OE1 3.01Å; K46-E49 IonicContact NZ-OE2 3.34Å; K46-E49 PolarHBondContact NZ-OE2 3.23Å; K46-E49 PolarHBondContact O-N 3.11Å; K46-V319 HydrophobicContact CB-CG1 3.76Å; K46-V319 HydrophobicContact CG-CG1 4.45Å; K46-S322 WeakPolarHBondContact CE-OG 3.41Å; K46-M323 HydrophobicContact CG-CG 3.8Å; K46-M323 HydrophobicContact CG-SD 4.08Å |
| 47 | L | 94.6 | Very high | 93.8 | Very high | 23 Ų | 23 | 38.9 Ų | 38.9 | 12% | 0.12 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -72.2 | -23.6 | 175.8 | -65.8 | 177.4 | 0 | 0 | 0 | 112.6 | L43 L44 R45 I56 F58 Y314 L316 V319 | L43-L47 HydrophobicContact CD1-CD1 4.15Å; L43-L47 HydrophobicContact CD1-CD2 4.49Å; L43-L47 HydrophobicContact CD1-CG 4.04Å; L43-L47 HydrophobicContact CG-CD1 4.03Å; L43-L47 HydrophobicContact CG-CG 4.34Å; L43-L47 WeakPolarHBondContact O-CG 3.4Å; L43-L47 PolarHBondContact O-N 3.49Å; L44-L47 PolarHBondContact O-N 3.37Å; R45-L47 VanDerWaalsContact C-N 3.34Å; R45-L47 PolarHBondContact O-N 2.97Å; L47-I56 HydrophobicContact CB-CD1 4.11Å; L47-I56 HydrophobicContact CB-CG2 4.28Å; L47-I56 HydrophobicContact CD1-CG2 4.19Å; L47-F58 HydrophobicContact CD1-CD1 3.61Å; L47-F58 HydrophobicContact CD1-CE1 3.91Å; L47-F58 HydrophobicContact CD1-CG 4.12Å; L47-Y314 HydrophobicContact CD1-CD1 4.31Å; L47-Y314 HydrophobicContact CD1-CE1 4.06Å; L47-Y314 HydrophobicContact CD1-CE2 4.26Å; L47-Y314 HydrophobicContact CD2-CD1 3.58Å; L47-Y314 HydrophobicContact CD2-CE1 3.85Å; L47-Y314 HydrophobicContact CD2-CG 4.17Å; L47-Y314 HydrophobicContact CG-CE1 4.4Å; L47-L316 HydrophobicContact CD2-CD2 4.49Å; L47-V319 HydrophobicContact CD2-CG1 4.43Å; L47-V319 HydrophobicContact CD2-CG2 4.05Å |
| 48 | S | 90.4 | Very high | 93.9 | Very high | 13 Ų | 13 | 38.8 Ų | 38.8 | 9% | 0.091 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -80.2 | -20 | 175.8 | -68 | 0 | 0 | 0 | 0 | 114.2 | L44 R45 K46 D50 N51 I56 R403 | L44-S48 WeakPolarHBondContact O-CB 3.41Å; L44-S48 PolarHBondContact O-N 3.37Å; L44-S48 PolarHBondContact O-OG 2.79Å; L44-S48 VanDerWaalsContact O-OG 3.09Å; R45-S48 WeakPolarHBondContact O-CB 3.41Å; R45-S48 PolarHBondContact O-N 2.97Å; R45-S48 VanDerWaalsContact O-N 3.11Å; K46-S48 VanDerWaalsContact C-N 3.28Å; K46-S48 PolarHBondContact O-N 3.1Å; S48-D50 VanDerWaalsContact C-N 3.31Å; S48-D50 PolarHBondContact O-N 2.97Å; S48-N51 CarbonylContact O-C 3.54Å; S48-N51 PolarHBondContact O-N 2.69Å; S48-I56 WeakPolarHBondContact OG-CD1 3.43Å; S48-R403 PolarHBondContact OG-NH1 3.29Å |
| 49 | E | 88.8 | Confident | 93.9 | Very high | 124 Ų | 124 | 36.8 Ų | 36.8 | 58% | 0.579 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -59 | -37.1 | -173.3 | -78.9 | 175.1 | 177.6 | 0 | 0 | 113.2 | R45 K46 | R45-E49 PolarHBondContact O-N 3.36Å; K46-E49 VanDerWaalsContact CD-OE1 3.3Å; K46-E49 WeakPolarHBondContact CD-OE1 3.37Å; K46-E49 VanDerWaalsContact CD-OE2 3.3Å; K46-E49 WeakPolarHBondContact CD-OE2 3.46Å; K46-E49 VanDerWaalsContact NZ-CD 3.26Å; K46-E49 IonicContact NZ-OE1 3.73Å; K46-E49 PolarHBondContact NZ-OE1 3.01Å; K46-E49 IonicContact NZ-OE2 3.34Å; K46-E49 PolarHBondContact NZ-OE2 3.23Å; K46-E49 PolarHBondContact O-N 3.11Å |
| 50 | D | 82.7 | Confident | 93.8 | Very high | 165 Ų | 165 | 36.8 Ų | 36.8 | 88% | 0.882 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -83 | -28 | -176.8 | -72.5 | -21.3 | 0 | 0 | 0 | 113.5 | S48 | S48-D50 VanDerWaalsContact C-N 3.31Å; S48-D50 PolarHBondContact O-N 2.97Å |
| 51 | N | 87.8 | Confident | 93.5 | Very high | 73 Ų | 73 | 37 Ų | 37 | 39% | 0.39 | 20% | 0.195 | S | C | . | . | trans | -157.7 | 106.8 | 179.9 | -171.5 | -17.2 | 0 | 0 | 0 | 111 | S48 T53 A54 R403 | S48-N51 CarbonylContact O-C 3.54Å; S48-N51 PolarHBondContact O-N 2.69Å; N51-T53 VanDerWaalsContact C-N 3.33Å; N51-T53 PolarHBondContact O-N 3.47Å; N51-T53 PolarHBondContact OD1-N 2.93Å; N51-T53 PolarHBondContact OD1-OG1 2.75Å; N51-A54 HydrophobicContact CB-CB 4.09Å; N51-A54 PolarHBondContact OD1-N 3.46Å; N51-R403 PolarHBondContact O-NH2 2.86Å | ||
| 52 | N | 88.2 | Confident | 93.2 | Very high | 54 Ų | 54 | 36.7 Ų | 36.7 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | -9.5 | 178.7 | 56.5 | 3.3 | 0 | 0 | 0 | 114.6 | E272 T273 R403 | N52-E272 PolarHBondContact ND2-OE1 3.21Å; N52-E272 PolarHBondContact ND2-OE2 2.81Å; N52-T273 WeakPolarHBondContact O-CG2 3.28Å; N52-R403 VanDerWaalsContact O-CZ 3.31Å; N52-R403 PolarHBondContact O-NH1 2.89Å |
| 53 | T | 92.1 | Very high | 93.1 | Very high | 72 Ų | 72 | 35.8 Ų | 35.8 | 44% | 0.442 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | -8.3 | 180 | 65.5 | 0 | 0 | 0 | 0 | 113.9 | N51 T273 C405 | N51-T53 VanDerWaalsContact C-N 3.33Å; N51-T53 PolarHBondContact O-N 3.47Å; N51-T53 PolarHBondContact OD1-N 2.93Å; N51-T53 PolarHBondContact OD1-OG1 2.75Å; T53-T273 HydrophobicContact CG2-CG2 4.31Å; T53-C405 WeakPolarHBondContact O-CB 3.42Å |
| 54 | A | 94.5 | Very high | 92.9 | Very high | 33 Ų | 33 | 36 Ų | 36 | 27% | 0.273 | 19% | 0.187 | S | C | . | . | S | Bend | trans | -79.6 | 153.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N51 R403 | N51-A54 HydrophobicContact CB-CB 4.09Å; N51-A54 PolarHBondContact OD1-N 3.46Å; A54-R403 PolarHBondContact O-NE 3.04Å; A54-R403 PolarHBondContact O-NH2 3.22Å |
| 55 | N | 96.8 | Very high | 92.6 | Very high | 29 Ų | 29 | 35.8 Ų | 35.8 | 16% | 0.155 | 19% | 0.186 | C | C | . | . | trans | -64.5 | 147 | 164.6 | -66.4 | -22.8 | 0 | 0 | 0 | 109.7 | L310 R403 C405 S406 | N55-L310 HydrophobicContact CB-CD2 3.92Å; N55-L310 VanDerWaalsContact ND2-CD2 3.33Å; N55-L310 WeakPolarHBondContact ND2-CD2 3.41Å; N55-R403 VanDerWaalsContact CA-O 3.29Å; N55-R403 WeakPolarHBondContact CA-O 3.33Å; N55-C405 PolarHBondContact OD1-N 3.24Å; N55-S406 PolarHBondContact ND2-O 2.7Å; N55-S406 PolarHBondContact OD1-N 2.68Å; N55-S406 VanDerWaalsContact OD1-N 3.09Å; N55-S406 PolarHBondContact OD1-O 2.8Å | ||
| 56 | I | 97 | Very high | 92.4 | Very high | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.026 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 138.5 | 173.1 | -65 | 175 | 0 | 0 | 0 | 107.2 | L44 L47 S48 F58 G402 R403 | L44-I56 HydrophobicContact CD1-CB 4.32Å; L44-I56 HydrophobicContact CD1-CD1 4.18Å; L44-I56 HydrophobicContact CD1-CG2 3.85Å; L47-I56 HydrophobicContact CB-CD1 4.11Å; L47-I56 HydrophobicContact CB-CG2 4.28Å; L47-I56 HydrophobicContact CD1-CG2 4.19Å; S48-I56 WeakPolarHBondContact OG-CD1 3.43Å; I56-F58 HydrophobicContact CG2-CD1 3.72Å; I56-F58 HydrophobicContact CG2-CE1 3.86Å; I56-G402 CarbonylContact O-C 3.52Å; I56-G402 WeakPolarHBondContact O-CA 3.35Å; I56-R403 HydrophobicContact CB-CB 4.13Å; I56-R403 PolarHBondContact N-O 2.67Å; I56-R403 PolarHBondContact O-N 3.44Å |
| 57 | F | 96.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 120.5 | 174 | -174.8 | -113.1 | 0 | 0 | 0 | 111.8 | L310 E312 Y314 A354 F355 V356 F388 F400 | F57-L310 HydrophobicContact CB-CB 4.12Å; F57-L310 HydrophobicContact CB-CD1 4.12Å; F57-L310 HydrophobicContact CG-CB 4.37Å; F57-E312 HydrophobicContact CB-CB 4.23Å; F57-E312 HydrophobicContact CB-CG 3.82Å; F57-E312 WeakPolarHBondContact O-CB 3.29Å; F57-Y314 PolarHBondContact N-OH 2.85Å; F57-Y314 WeakPolarHBondContact O-CE2 3.44Å; F57-A354 HydrophobicContact CD1-CB 3.59Å; F57-A354 HydrophobicContact CE1-CB 3.62Å; F57-F355 VanDerWaalsContact CE1-C 3.43Å; F57-V356 HydrophobicContact CD1-CB 4.29Å; F57-V356 HydrophobicContact CD1-CG1 3.76Å; F57-V356 HydrophobicContact CD2-CG1 3.86Å; F57-V356 HydrophobicContact CE1-CB 3.57Å; F57-V356 HydrophobicContact CE1-CG1 3.54Å; F57-V356 HydrophobicContact CE2-CB 3.97Å; F57-V356 HydrophobicContact CE2-CG1 3.63Å; F57-V356 HydrophobicContact CG-CG1 3.91Å; F57-V356 HydrophobicContact CZ-CB 3.38Å; F57-V356 HydrophobicContact CZ-CG1 3.48Å; F57-V356 VanDerWaalsContact CZ-CG1 3.48Å; F57-V356 HydrophobicContact CZ-CG2 4.29Å; F57-F388 AromaticContact CD2-CE2 3.85Å; F57-F388 HydrophobicContact CD2-CE2 3.85Å; F57-F388 AromaticContact CD2-CZ 3.53Å; F57-F388 HydrophobicContact CD2-CZ 3.53Å; F57-F388 AromaticContact CE2-CE2 3.7Å; F57-F388 HydrophobicContact CE2-CE2 3.7Å; F57-F388 AromaticContact CE2-CZ 3.87Å; F57-F388 HydrophobicContact CE2-CZ 3.87Å; F57-F400 AromaticContact CE1-CD1 3.94Å; F57-F400 HydrophobicContact CE1-CD1 3.94Å; F57-F400 HydrophobicContact CE1-CE1 4.37Å; F57-F400 HydrophobicContact CE2-CB 3.72Å; F57-F400 AromaticContact CE2-CD1 3.99Å; F57-F400 HydrophobicContact CE2-CD1 3.99Å; F57-F400 HydrophobicContact CE2-CG 4.19Å; F57-F400 HydrophobicContact CZ-CB 3.87Å; F57-F400 AromaticContact CZ-CD1 3.27Å; F57-F400 HydrophobicContact CZ-CD1 3.27Å; F57-F400 HydrophobicContact CZ-CE1 4Å; F57-F400 AromaticContact CZ-CG 3.8Å; F57-F400 HydrophobicContact CZ-CG 3.8Å |
| 58 | F | 96.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 170 | 178.3 | 63.5 | -83.3 | 0 | 0 | 0 | 111.4 | S40 L43 L44 L47 I56 P60 I63 Y314 F400 A401 | S40-F58 WeakPolarHBondContact O-CZ 3.33Å; L43-F58 HydrophobicContact CB-CE2 4.1Å; L43-F58 HydrophobicContact CB-CZ 4.2Å; L43-F58 HydrophobicContact CD2-CD2 3.61Å; L43-F58 HydrophobicContact CD2-CE2 3.54Å; L43-F58 HydrophobicContact CD2-CG 4.4Å; L43-F58 HydrophobicContact CD2-CZ 4.28Å; L43-F58 HydrophobicContact CG-CD2 4.25Å; L43-F58 HydrophobicContact CG-CE2 3.85Å; L43-F58 HydrophobicContact CG-CZ 4.09Å; L44-F58 HydrophobicContact CB-CE1 4.06Å; L44-F58 HydrophobicContact CB-CZ 3.93Å; L44-F58 HydrophobicContact CD1-CE1 4Å; L47-F58 HydrophobicContact CD1-CD1 3.61Å; L47-F58 HydrophobicContact CD1-CE1 3.91Å; L47-F58 HydrophobicContact CD1-CG 4.12Å; I56-F58 HydrophobicContact CG2-CD1 3.72Å; I56-F58 HydrophobicContact CG2-CE1 3.86Å; F58-P60 HydrophobicContact CD2-CB 4.4Å; F58-P60 HydrophobicContact CE2-CB 3.99Å; F58-P60 HydrophobicContact CE2-CG 4.31Å; F58-I63 HydrophobicContact CB-CD1 4.33Å; F58-I63 HydrophobicContact CD2-CD1 4.08Å; F58-Y314 HydrophobicContact CB-CE2 4.17Å; F58-F400 WeakPolarHBondContact O-CA 3.4Å; F58-A401 HydrophobicContact CE1-CB 4.14Å; F58-A401 HydrophobicContact CE2-CB 4.21Å; F58-A401 HydrophobicContact CZ-CB 3.85Å; F58-A401 PolarHBondContact N-O 2.97Å; F58-A401 PolarHBondContact O-N 2.79Å |
| 59 | S | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -111.2 | 100.6 | 173 | 177.9 | 0 | 0 | 0 | 0 | 109.3 | F61 S62 I63 I197 H352 L399 | S59-F61 VanDerWaalsContact C-N 3.3Å; S59-F61 PolarHBondContact O-N 3.29Å; S59-S62 PolarHBondContact O-N 2.77Å; S59-S62 WeakPolarHBondContact OG-CB 3.45Å; S59-S62 PolarHBondContact OG-N 3.29Å; S59-S62 VanDerWaalsContact OG-N 3.12Å; S59-I63 WeakPolarHBondContact O-CD1 3.23Å; S59-I63 VanDerWaalsContact O-CG1 3.3Å; S59-I63 WeakPolarHBondContact O-CG1 3.2Å; S59-I63 PolarHBondContact O-N 3.25Å; S59-I197 WeakPolarHBondContact OG-CD1 3.02Å; S59-H352 PolarHBondContact N-NE2 3.35Å; S59-L399 VanDerWaalsContact CA-O 3.3Å; S59-L399 WeakPolarHBondContact CA-O 3.46Å; S59-L399 VanDerWaalsContact CB-O 3.27Å; S59-L399 WeakPolarHBondContact CB-O 3.27Å; S59-L399 PolarHBondContact OG-O 2.84Å | ||
| 60 | P | 94.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -58.7 | -45.7 | 176.4 | 23.9 | -34.4 | 0 | 0 | 0 | 110.7 | F39 S40 F58 S62 I63 S64 I398 | F39-P60 HydrophobicContact CD1-CB 4.21Å; F39-P60 HydrophobicContact CE1-CB 4.45Å; S40-P60 VanDerWaalsContact CB-CB 3.48Å; S40-P60 WeakPolarHBondContact OG-CG 3.08Å; F58-P60 HydrophobicContact CD2-CB 4.4Å; F58-P60 HydrophobicContact CE2-CB 3.99Å; F58-P60 HydrophobicContact CE2-CG 4.31Å; P60-S62 VanDerWaalsContact C-N 3.33Å; P60-S62 PolarHBondContact O-N 2.8Å; P60-I63 PolarHBondContact O-N 2.88Å; P60-S64 WeakPolarHBondContact O-CB 3.11Å; P60-S64 PolarHBondContact O-N 3.28Å; P60-S64 PolarHBondContact O-OG 3.34Å; P60-I398 HydrophobicContact CG-CB 4.29Å; P60-I398 HydrophobicContact CG-CG2 3.73Å |
| 61 | F | 89.8 | Confident | 93 | Very high | 4 Ų | 4 | 14.1 Ų | 14.1 | 2% | 0.018 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -57.2 | -44.9 | 179.1 | 176.6 | -98.9 | 0 | 0 | 0 | 112.7 | N36 S59 S64 S65 F99 I102 L103 T397 I398 L399 | N36-F61 VanDerWaalsContact OD1-CA 3.25Å; N36-F61 WeakPolarHBondContact OD1-CA 3.4Å; N36-F61 PolarHBondContact OD1-N 3.24Å; S59-F61 VanDerWaalsContact C-N 3.3Å; S59-F61 PolarHBondContact O-N 3.29Å; F61-S64 PolarHBondContact O-N 2.96Å; F61-S65 VanDerWaalsContact O-CB 3.25Å; F61-S65 WeakPolarHBondContact O-CB 3.35Å; F61-S65 PolarHBondContact O-N 3.37Å; F61-F99 HydrophobicContact CD2-CD1 4.26Å; F61-F99 AromaticContact CD2-CE1 3.95Å; F61-F99 HydrophobicContact CD2-CE1 3.95Å; F61-F99 AromaticContact CE2-CD1 3.53Å; F61-F99 HydrophobicContact CE2-CD1 3.53Å; F61-F99 AromaticContact CE2-CE1 3.68Å; F61-F99 HydrophobicContact CE2-CE1 3.68Å; F61-F99 AromaticContact CZ-CD1 3.87Å; F61-F99 HydrophobicContact CZ-CD1 3.87Å; F61-F99 HydrophobicContact CZ-CE1 4.37Å; F61-I102 HydrophobicContact CD2-CG2 4.42Å; F61-I102 HydrophobicContact CE1-CG2 4.06Å; F61-I102 HydrophobicContact CE2-CB 3.91Å; F61-I102 HydrophobicContact CE2-CD1 3.92Å; F61-I102 HydrophobicContact CE2-CG2 3.5Å; F61-I102 VanDerWaalsContact CE2-CG2 3.5Å; F61-I102 HydrophobicContact CZ-CB 3.72Å; F61-I102 HydrophobicContact CZ-CG2 3.29Å; F61-L103 HydrophobicContact CE1-CD2 3.71Å; F61-L103 HydrophobicContact CE1-CG 4.2Å; F61-L103 HydrophobicContact CZ-CD2 4.18Å; F61-L103 HydrophobicContact CZ-CG 4.16Å; F61-T397 HydrophobicContact CB-CG2 4.48Å; F61-T397 HydrophobicContact CD2-CG2 3.71Å; F61-T397 HydrophobicContact CE2-CG2 4.41Å; F61-T397 HydrophobicContact CG-CG2 4.38Å; F61-I398 WeakPolarHBondContact CB-O 3.46Å; F61-L399 HydrophobicContact CB-CD2 4.14Å; F61-L399 HydrophobicContact CD1-CD2 3.95Å; F61-L399 HydrophobicContact CG-CD2 3.93Å |
| 62 | S | 90.6 | Very high | 93.2 | Very high | 0 Ų | 0 | 11.4 Ų | 11.4 | 0% | 0 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -65 | -46.6 | 178.9 | -161.7 | 0 | 0 | 0 | 0 | 111.2 | S59 P60 S64 S65 A66 N122 N195 | S59-S62 PolarHBondContact O-N 2.77Å; S59-S62 WeakPolarHBondContact OG-CB 3.45Å; S59-S62 PolarHBondContact OG-N 3.29Å; S59-S62 VanDerWaalsContact OG-N 3.12Å; P60-S62 VanDerWaalsContact C-N 3.33Å; P60-S62 PolarHBondContact O-N 2.8Å; S62-S64 PolarHBondContact O-N 3.46Å; S62-S65 PolarHBondContact O-N 2.88Å; S62-A66 WeakPolarHBondContact O-CB 3.34Å; S62-A66 PolarHBondContact O-N 3.09Å; S62-N122 PolarHBondContact O-ND2 3.39Å; S62-N122 PolarHBondContact OG-ND2 2.97Å; S62-N122 VanDerWaalsContact OG-ND2 3.14Å; S62-N122 PolarHBondContact OG-OD1 3.39Å; S62-N122 VanDerWaalsContact OG-OD1 3.05Å; S62-N195 WeakPolarHBondContact CB-ND2 3.34Å; S62-N195 VanDerWaalsContact CB-OD1 3.28Å; S62-N195 WeakPolarHBondContact CB-OD1 3.29Å; S62-N195 PolarHBondContact O-ND2 3.49Å; S62-N195 PolarHBondContact OG-ND2 2.93Å; S62-N195 PolarHBondContact OG-OD1 3.18Å |
| 63 | I | 94.8 | Very high | 93.4 | Very high | 3 Ų | 3 | 8.8 Ų | 8.8 | 2% | 0.015 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -61 | -46.7 | 178.1 | -65.1 | 164.1 | 0 | 0 | 0 | 110.1 | F39 L43 F58 S59 P60 S65 A66 L67 L316 H352 | F39-I63 HydrophobicContact CE1-CB 4.18Å; F39-I63 HydrophobicContact CE1-CG2 3.96Å; F39-I63 HydrophobicContact CZ-CB 4.42Å; F39-I63 HydrophobicContact CZ-CG2 3.7Å; L43-I63 HydrophobicContact CD2-CD1 3.6Å; F58-I63 HydrophobicContact CB-CD1 4.33Å; F58-I63 HydrophobicContact CD2-CD1 4.08Å; S59-I63 WeakPolarHBondContact O-CD1 3.23Å; S59-I63 VanDerWaalsContact O-CG1 3.3Å; S59-I63 WeakPolarHBondContact O-CG1 3.2Å; S59-I63 PolarHBondContact O-N 3.25Å; P60-I63 PolarHBondContact O-N 2.88Å; I63-S65 VanDerWaalsContact C-N 3.35Å; I63-S65 PolarHBondContact O-N 3.42Å; I63-A66 PolarHBondContact O-N 2.71Å; I63-L67 HydrophobicContact CG2-CD1 3.82Å; I63-L67 HydrophobicContact CG2-CG 4.27Å; I63-L67 WeakPolarHBondContact O-CB 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.24Å; I63-L67 PolarHBondContact O-N 2.84Å; I63-L316 HydrophobicContact CD1-CD1 3.79Å; I63-L316 HydrophobicContact CG1-CD1 4.01Å; I63-L316 HydrophobicContact CG2-CD1 3.94Å; I63-H352 HydrophobicContact CD1-CB 4.36Å; I63-H352 HydrophobicContact CG1-CB 4.35Å; I63-H352 WeakPolarHBondContact CG1-ND1 3.45Å |
| 64 | S | 92.7 | Very high | 93.5 | Very high | 4 Ų | 4 | 5.5 Ų | 5.5 | 3% | 0.028 | 3% | 0.034 | C | C | . | . | H | α-helix | trans | -60.8 | -43.5 | 178.2 | -60.1 | 0 | 0 | 0 | 0 | 112.1 | F39 P60 F61 S62 A66 L67 A68 | F39-S64 WeakPolarHBondContact CD1-OG 3.38Å; F39-S64 VanDerWaalsContact CE1-OG 3.26Å; F39-S64 WeakPolarHBondContact CE1-OG 3.32Å; P60-S64 WeakPolarHBondContact O-CB 3.11Å; P60-S64 PolarHBondContact O-N 3.28Å; P60-S64 PolarHBondContact O-OG 3.34Å; F61-S64 PolarHBondContact O-N 2.96Å; S62-S64 PolarHBondContact O-N 3.46Å; S64-A66 PolarHBondContact O-N 3.38Å; S64-L67 PolarHBondContact O-N 2.83Å; S64-A68 VanDerWaalsContact O-CB 3.24Å; S64-A68 WeakPolarHBondContact O-CB 3.5Å; S64-A68 PolarHBondContact O-N 3.34Å |
| 65 | S | 89.4 | Confident | 93.6 | Very high | 0 Ų | 0 | 9 Ų | 9 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -60.4 | -44.4 | 175.1 | 174 | 0 | 0 | 0 | 0 | 111.9 | F61 S62 I63 A68 M69 Y144 | F61-S65 VanDerWaalsContact O-CB 3.25Å; F61-S65 WeakPolarHBondContact O-CB 3.35Å; F61-S65 PolarHBondContact O-N 3.37Å; S62-S65 PolarHBondContact O-N 2.88Å; I63-S65 VanDerWaalsContact C-N 3.35Å; I63-S65 PolarHBondContact O-N 3.42Å; S65-A68 PolarHBondContact O-N 3.09Å; S65-M69 PolarHBondContact O-N 2.95Å; S65-Y144 WeakPolarHBondContact O-CE1 3.36Å; S65-Y144 WeakPolarHBondContact OG-CD1 3.31Å; S65-Y144 WeakPolarHBondContact OG-CE1 3.49Å |
| 66 | A | 91.9 | Very high | 93.5 | Very high | 1 Ų | 1 | 9.9 Ų | 9.9 | 1% | 0.008 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -67.9 | -38.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | S62 I63 S64 M69 A70 N122 L193 N195 | S62-A66 WeakPolarHBondContact O-CB 3.34Å; S62-A66 PolarHBondContact O-N 3.09Å; I63-A66 PolarHBondContact O-N 2.71Å; S64-A66 PolarHBondContact O-N 3.38Å; A66-M69 WeakPolarHBondContact O-CB 3.29Å; A66-M69 PolarHBondContact O-N 2.96Å; A66-A70 PolarHBondContact O-N 3.4Å; A66-N122 HydrophobicContact CB-CB 4.43Å; A66-L193 HydrophobicContact CB-CD1 3.96Å; A66-L193 HydrophobicContact CB-CD2 3.91Å; A66-L193 HydrophobicContact CB-CG 4.16Å; A66-L193 WeakPolarHBondContact O-CD2 3.15Å; A66-N195 HydrophobicContact CB-CB 4.49Å; A66-N195 WeakPolarHBondContact CB-ND2 3.37Å |
| 67 | L | 94.3 | Very high | 93.4 | Very high | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.01 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -72 | -37.5 | 174.5 | -69.3 | 176.1 | 0 | 0 | 0 | 111.9 | F39 I63 S64 M69 A70 M71 I82 L86 L193 L320 M325 | F39-L67 HydrophobicContact CZ-CD1 4.47Å; I63-L67 HydrophobicContact CG2-CD1 3.82Å; I63-L67 HydrophobicContact CG2-CG 4.27Å; I63-L67 WeakPolarHBondContact O-CB 3.31Å; I63-L67 WeakPolarHBondContact O-CG 3.24Å; I63-L67 PolarHBondContact O-N 2.84Å; S64-L67 PolarHBondContact O-N 2.83Å; L67-M69 VanDerWaalsContact C-N 3.29Å; L67-M69 PolarHBondContact O-N 3.48Å; L67-A70 CarbonylContact O-C 3.58Å; L67-A70 WeakPolarHBondContact O-CA 3.35Å; L67-A70 WeakPolarHBondContact O-CB 3.44Å; L67-A70 PolarHBondContact O-N 3.3Å; L67-A70 VanDerWaalsContact O-N 3.09Å; L67-M71 PolarHBondContact O-N 3.01Å; L67-I82 HydrophobicContact CB-CG2 4.48Å; L67-L86 HydrophobicContact CB-CD1 3.97Å; L67-L86 HydrophobicContact CB-CD2 4.03Å; L67-L86 HydrophobicContact CB-CG 4.34Å; L67-L86 HydrophobicContact CD1-CD2 3.9Å; L67-L193 HydrophobicContact CD2-CD2 3.82Å; L67-L193 HydrophobicContact CG-CD2 4.41Å; L67-L320 HydrophobicContact CD1-CD1 4.01Å; L67-L320 HydrophobicContact CD1-CD2 3.88Å; L67-L320 HydrophobicContact CD2-CD1 4.07Å; L67-M325 HydrophobicContact CD2-CE 3.92Å; L67-M325 HydrophobicContact CD2-SD 4.14Å |
| 68 | A | 91.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -62.9 | -37 | 172.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | S64 S65 A70 M71 L72 L86 H96 F99 Y144 | S64-A68 VanDerWaalsContact O-CB 3.24Å; S64-A68 WeakPolarHBondContact O-CB 3.5Å; S64-A68 PolarHBondContact O-N 3.34Å; S65-A68 PolarHBondContact O-N 3.09Å; A68-A70 VanDerWaalsContact C-N 3.29Å; A68-A70 PolarHBondContact O-N 3.11Å; A68-M71 WeakPolarHBondContact O-CA 3.37Å; A68-M71 VanDerWaalsContact O-CB 3.27Å; A68-M71 WeakPolarHBondContact O-CB 3.31Å; A68-M71 PolarHBondContact O-N 2.87Å; A68-L72 PolarHBondContact O-N 3.11Å; A68-L86 HydrophobicContact CB-CD1 4.24Å; A68-H96 PolarHBondContact O-CE1 2.91Å; A68-F99 HydrophobicContact CB-CD2 3.98Å; A68-F99 HydrophobicContact CB-CE2 3.69Å; A68-Y144 VanDerWaalsContact CB-OH 3.23Å; A68-Y144 WeakPolarHBondContact CB-OH 3.45Å |
| 69 | M | 91.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -59.2 | -39.8 | 171.1 | -172 | -165.6 | -49.2 | 0 | 0 | 112 | S65 A66 L67 M71 N122 L124 T140 Y144 | S65-M69 PolarHBondContact O-N 2.95Å; A66-M69 WeakPolarHBondContact O-CB 3.29Å; A66-M69 PolarHBondContact O-N 2.96Å; L67-M69 VanDerWaalsContact C-N 3.29Å; L67-M69 PolarHBondContact O-N 3.48Å; M69-M71 VanDerWaalsContact C-N 3.34Å; M69-N122 HydrophobicContact CE-CB 4.16Å; M69-L124 HydrophobicContact CG-CD1 4.19Å; M69-L124 HydrophobicContact SD-CD1 4.14Å; M69-L124 HydrophobicContact SD-CG 4.29Å; M69-T140 HydrophobicContact CG-CG2 3.69Å; M69-T140 HydrophobicContact SD-CG2 4.5Å; M69-Y144 HydrophobicContact CB-CD1 4.39Å; M69-Y144 HydrophobicContact CB-CD2 4.02Å; M69-Y144 HydrophobicContact CB-CE1 4.32Å; M69-Y144 HydrophobicContact CB-CE2 3.95Å; M69-Y144 HydrophobicContact CB-CG 4.24Å; M69-Y144 HydrophobicContact CE-CD1 4.1Å; M69-Y144 HydrophobicContact CE-CD2 4.46Å; M69-Y144 HydrophobicContact CE-CG 3.83Å; M69-Y144 HydrophobicContact CG-CD2 3.91Å; M69-Y144 HydrophobicContact CG-CE2 4.25Å; M69-Y144 HydrophobicContact CG-CG 4.22Å; M69-Y144 PolarHBondContact N-OH 3.33Å |
| 70 | A | 93.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69 | -33.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.2 | A66 L67 A68 L72 G73 A74 L124 F336 M339 | A66-A70 PolarHBondContact O-N 3.4Å; L67-A70 CarbonylContact O-C 3.58Å; L67-A70 WeakPolarHBondContact O-CA 3.35Å; L67-A70 WeakPolarHBondContact O-CB 3.44Å; L67-A70 PolarHBondContact O-N 3.3Å; L67-A70 VanDerWaalsContact O-N 3.09Å; A68-A70 VanDerWaalsContact C-N 3.29Å; A68-A70 PolarHBondContact O-N 3.11Å; A70-L72 VanDerWaalsContact C-N 3.31Å; A70-L72 PolarHBondContact O-N 3.05Å; A70-G73 PolarHBondContact O-N 3.06Å; A70-A74 PolarHBondContact O-N 3.01Å; A70-L124 HydrophobicContact CB-CD1 4.48Å; A70-F336 HydrophobicContact CB-CE1 4.47Å; A70-M339 HydrophobicContact CB-CE 4.14Å; A70-M339 WeakPolarHBondContact O-CE 3.31Å |
| 71 | M | 93.1 | Very high | 93.4 | Very high | 14 Ų | 14 | 20.5 Ų | 20.5 | 7% | 0.069 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -62.9 | -33.3 | 178.3 | -162.3 | 177.8 | 71.3 | 0 | 0 | 113.1 | L67 A68 M69 G73 A74 I82 I88 V95 | L67-M71 PolarHBondContact O-N 3.01Å; A68-M71 WeakPolarHBondContact O-CA 3.37Å; A68-M71 VanDerWaalsContact O-CB 3.27Å; A68-M71 WeakPolarHBondContact O-CB 3.31Å; A68-M71 PolarHBondContact O-N 2.87Å; M69-M71 VanDerWaalsContact C-N 3.34Å; M71-G73 PolarHBondContact O-N 3.21Å; M71-G73 VanDerWaalsContact O-N 3.08Å; M71-A74 PolarHBondContact O-N 3.49Å; M71-I82 HydrophobicContact CB-CG2 3.85Å; M71-I82 HydrophobicContact CG-CB 4.26Å; M71-I82 HydrophobicContact CG-CG2 3.99Å; M71-I82 HydrophobicContact SD-CB 4.49Å; M71-I82 HydrophobicContact SD-CG2 4.08Å; M71-I88 HydrophobicContact CE-CD1 3.73Å; M71-I88 HydrophobicContact SD-CD1 3.95Å; M71-V95 HydrophobicContact CE-CG1 4.05Å |
| 72 | L | 91.4 | Very high | 93.7 | Very high | 16 Ų | 16 | 20.4 Ų | 20.4 | 8% | 0.084 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.3 | -39.1 | 176.8 | -80.7 | 172.9 | 0 | 0 | 0 | 112.9 | A68 A70 R75 H96 F136 Q139 T140 Y144 | A68-L72 PolarHBondContact O-N 3.11Å; A70-L72 VanDerWaalsContact C-N 3.31Å; A70-L72 PolarHBondContact O-N 3.05Å; L72-R75 PolarHBondContact O-NH1 2.86Å; L72-H96 VanDerWaalsContact CD2-CD2 3.45Å; L72-H96 WeakPolarHBondContact CD2-CD2 3.26Å; L72-H96 WeakPolarHBondContact CD2-NE2 3.27Å; L72-F136 HydrophobicContact CB-CD2 4.09Å; L72-F136 HydrophobicContact CB-CE2 3.94Å; L72-Q139 HydrophobicContact CD1-CB 4.08Å; L72-Q139 HydrophobicContact CD2-CB 4.45Å; L72-T140 HydrophobicContact CD1-CG2 3.87Å; L72-Y144 HydrophobicContact CD1-CD2 4.25Å; L72-Y144 HydrophobicContact CD1-CE2 3.76Å |
| 73 | G | 93.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.12 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 0.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | A70 M71 F336 G338 M339 | A70-G73 PolarHBondContact O-N 3.06Å; M71-G73 PolarHBondContact O-N 3.21Å; M71-G73 VanDerWaalsContact O-N 3.08Å; G73-F336 CarbonylContact O-C 3.59Å; G73-F336 VanDerWaalsContact O-C 3.23Å; G73-F336 VanDerWaalsContact O-CA 3.24Å; G73-F336 WeakPolarHBondContact O-CA 3.47Å; G73-G338 CarbonylContact O-C 3.53Å; G73-G338 VanDerWaalsContact O-CA 3.23Å; G73-G338 WeakPolarHBondContact O-CA 3.29Å; G73-G338 PolarHBondContact O-N 3.33Å; G73-M339 PolarHBondContact O-N 3.14Å |
| 74 | A | 94.9 | Very high | 93.7 | Very high | 3 Ų | 3 | 24.4 Ų | 24.4 | 3% | 0.025 | 14% | 0.136 | C | C | . | . | trans | -84 | 152 | 176 | 0 | 0 | 0 | 0 | 0 | 111.2 | A70 M71 T78 A79 I82 D335 F336 | A70-A74 PolarHBondContact O-N 3.01Å; M71-A74 PolarHBondContact O-N 3.49Å; A74-T78 HydrophobicContact CB-CG2 3.99Å; A74-A79 HydrophobicContact CB-CB 3.92Å; A74-I82 HydrophobicContact CB-CD1 3.89Å; A74-D335 CarbonylContact C-O 3.16Å; A74-D335 VanDerWaalsContact CA-O 3.24Å; A74-D335 WeakPolarHBondContact CA-O 3.47Å; A74-F336 HydrophobicContact CB-CD1 4Å; A74-F336 HydrophobicContact CB-CE1 3.92Å | ||
| 75 | R | 95.1 | Very high | 93.8 | Very high | 106 Ų | 106 | 24.3 Ų | 24.3 | 40% | 0.4 | 14% | 0.135 | S | C | . | . | trans | -134.9 | 171.4 | 173.2 | -61.8 | -65.4 | 179.9 | -91.6 | 3.6 | 110.6 | L72 T78 A79 D335 S337 | L72-R75 PolarHBondContact O-NH1 2.86Å; R75-T78 PolarHBondContact O-N 3.38Å; R75-A79 PolarHBondContact O-N 3.45Å; R75-A79 VanDerWaalsContact O-N 3.14Å; R75-D335 HydrophobicContact CB-CB 4.48Å; R75-D335 WeakPolarHBondContact CB-OD2 3.48Å; R75-D335 PolarHBondContact N-O 2.69Å; R75-S337 WeakPolarHBondContact CG-OG 3.29Å | ||
| 76 | G | 94.6 | Very high | 94 | Very high | 48 Ų | 48 | 24.4 Ų | 24.4 | 50% | 0.495 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | 53.8 | -136.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | T78 A79 T80 | G76-T78 VanDerWaalsContact C-N 3.27Å; G76-T78 PolarHBondContact O-N 2.89Å; G76-A79 PolarHBondContact O-N 2.92Å; G76-T80 PolarHBondContact O-N 2.71Å; G76-T80 VanDerWaalsContact O-N 3.09Å; G76-T80 PolarHBondContact O-OG1 3.39Å |
| 77 | D | 96.1 | Very high | 93.9 | Very high | 113 Ų | 113 | 30.1 Ų | 30.1 | 60% | 0.604 | 16% | 0.157 | S | C | * | . | H | α-helix | trans | -65.3 | -31 | -178.5 | -67.5 | -21.2 | 0 | 0 | 0 | 112.3 | T80 Q81 D327 | D77-T80 PolarHBondContact O-N 3.08Å; D77-Q81 WeakPolarHBondContact O-CB 3.39Å; D77-Q81 VanDerWaalsContact O-CG 3.23Å; D77-Q81 WeakPolarHBondContact O-CG 3.32Å; D77-Q81 PolarHBondContact O-N 3.22Å; D77-D327 WeakPolarHBondContact CB-OD2 3.08Å |
| 78 | T | 96.7 | Very high | 93.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -48.4 | 176.5 | -61.6 | 0 | 0 | 0 | 0 | 111 | A74 R75 G76 I82 A328 D335 F336 | A74-T78 HydrophobicContact CB-CG2 3.99Å; R75-T78 PolarHBondContact O-N 3.38Å; G76-T78 VanDerWaalsContact C-N 3.27Å; G76-T78 PolarHBondContact O-N 2.89Å; T78-I82 HydrophobicContact CG2-CD1 4.04Å; T78-I82 WeakPolarHBondContact O-CD1 3.44Å; T78-I82 VanDerWaalsContact O-CG1 3.24Å; T78-I82 WeakPolarHBondContact O-CG1 3.4Å; T78-I82 PolarHBondContact O-N 3.4Å; T78-I82 VanDerWaalsContact O-N 3.1Å; T78-A328 HydrophobicContact CG2-CB 4.05Å; T78-D335 PolarHBondContact OG1-N 2.95Å; T78-F336 HydrophobicContact CG2-CE1 4.26Å; T78-F336 HydrophobicContact CG2-CE2 4.05Å; T78-F336 HydrophobicContact CG2-CZ 3.89Å |
| 79 | A | 94.8 | Very high | 92.3 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 9% | 0.091 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | A74 R75 G76 Q81 I82 S83 | A74-A79 HydrophobicContact CB-CB 3.92Å; R75-A79 PolarHBondContact O-N 3.45Å; R75-A79 VanDerWaalsContact O-N 3.14Å; G76-A79 PolarHBondContact O-N 2.92Å; A79-Q81 PolarHBondContact O-N 2.9Å; A79-I82 PolarHBondContact O-N 2.95Å; A79-S83 WeakPolarHBondContact O-CB 3.23Å; A79-S83 PolarHBondContact O-N 2.66Å |
| 80 | T | 94.5 | Very high | 90.7 | Very high | 67 Ų | 67 | 43.7 Ų | 43.7 | 41% | 0.411 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.5 | -52.3 | 178.2 | -58.2 | 0 | 0 | 0 | 0 | 111.1 | G76 D77 I82 S83 E84 | G76-T80 PolarHBondContact O-N 2.71Å; G76-T80 VanDerWaalsContact O-N 3.09Å; G76-T80 PolarHBondContact O-OG1 3.39Å; D77-T80 PolarHBondContact O-N 3.08Å; T80-I82 VanDerWaalsContact C-N 3.35Å; T80-I82 PolarHBondContact O-N 2.77Å; T80-S83 WeakPolarHBondContact O-CB 3.34Å; T80-S83 PolarHBondContact O-N 2.89Å; T80-E84 HydrophobicContact CG2-CG 4.3Å; T80-E84 VanDerWaalsContact O-CG 3.29Å; T80-E84 WeakPolarHBondContact O-CG 3.32Å; T80-E84 PolarHBondContact O-N 2.91Å |
| 81 | Q | 96.6 | Very high | 89.1 | Confident | 35 Ų | 35 | 47.6 Ų | 47.6 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.1 | -38.9 | -179.6 | -73.8 | 172.6 | 16.8 | 0 | 0 | 112.8 | D77 A79 C85 G324 D327 | D77-Q81 WeakPolarHBondContact O-CB 3.39Å; D77-Q81 VanDerWaalsContact O-CG 3.23Å; D77-Q81 WeakPolarHBondContact O-CG 3.32Å; D77-Q81 PolarHBondContact O-N 3.22Å; A79-Q81 PolarHBondContact O-N 2.9Å; Q81-C85 VanDerWaalsContact O-CB 3.24Å; Q81-C85 WeakPolarHBondContact O-CB 2.9Å; Q81-C85 PolarHBondContact O-N 3.49Å; Q81-G324 WeakPolarHBondContact CG-O 3.21Å; Q81-G324 PolarHBondContact OE1-O 2.96Å; Q81-D327 PolarHBondContact NE2-OD2 2.82Å |
| 82 | I | 95.4 | Very high | 87.4 | Confident | 2 Ų | 2 | 53.5 Ų | 53.5 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.1 | -48.8 | 174.3 | -65.4 | 163.7 | 0 | 0 | 0 | 109.9 | L67 M71 A74 T78 A79 T80 E84 C85 L86 M325 F336 | L67-I82 HydrophobicContact CB-CG2 4.48Å; M71-I82 HydrophobicContact CB-CG2 3.85Å; M71-I82 HydrophobicContact CG-CB 4.26Å; M71-I82 HydrophobicContact CG-CG2 3.99Å; M71-I82 HydrophobicContact SD-CB 4.49Å; M71-I82 HydrophobicContact SD-CG2 4.08Å; A74-I82 HydrophobicContact CB-CD1 3.89Å; T78-I82 HydrophobicContact CG2-CD1 4.04Å; T78-I82 WeakPolarHBondContact O-CD1 3.44Å; T78-I82 VanDerWaalsContact O-CG1 3.24Å; T78-I82 WeakPolarHBondContact O-CG1 3.4Å; T78-I82 PolarHBondContact O-N 3.4Å; T78-I82 VanDerWaalsContact O-N 3.1Å; A79-I82 PolarHBondContact O-N 2.95Å; T80-I82 VanDerWaalsContact C-N 3.35Å; T80-I82 PolarHBondContact O-N 2.77Å; I82-E84 PolarHBondContact O-N 3.03Å; I82-C85 PolarHBondContact O-N 2.89Å; I82-L86 HydrophobicContact CG2-CD1 3.94Å; I82-L86 HydrophobicContact CG2-CG 4.43Å; I82-L86 WeakPolarHBondContact O-CB 3.33Å; I82-L86 VanDerWaalsContact O-CG 3.3Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.92Å; I82-M325 HydrophobicContact CB-SD 4.34Å; I82-M325 HydrophobicContact CG1-CG 3.89Å; I82-M325 HydrophobicContact CG1-SD 3.65Å; I82-M325 HydrophobicContact CG2-SD 4.5Å; I82-F336 HydrophobicContact CD1-CE1 4.34Å; I82-F336 HydrophobicContact CD1-CZ 4.44Å |
| 83 | S | 92.8 | Very high | 85.7 | Confident | 12 Ų | 12 | 59.8 Ų | 59.8 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 178.8 | -179 | 0 | 0 | 0 | 0 | 112.5 | A79 T80 L86 R87 I88 | A79-S83 WeakPolarHBondContact O-CB 3.23Å; A79-S83 PolarHBondContact O-N 2.66Å; T80-S83 WeakPolarHBondContact O-CB 3.34Å; T80-S83 PolarHBondContact O-N 2.89Å; S83-L86 CarbonylContact O-C 3.54Å; S83-L86 PolarHBondContact O-N 2.84Å; S83-R87 PolarHBondContact O-N 3.1Å; S83-I88 WeakPolarHBondContact O-CG1 3.05Å; S83-I88 PolarHBondContact O-N 2.91Å; S83-I88 VanDerWaalsContact O-N 3.07Å |
| 84 | E | 93.7 | Very high | 84.6 | Confident | 75 Ų | 75 | 65 Ų | 65 | 35% | 0.35 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -65.5 | -43.8 | 176.6 | -70.8 | -163.8 | 149.9 | 0 | 0 | 112.8 | T80 I82 L86 R87 K89 | T80-E84 HydrophobicContact CG2-CG 4.3Å; T80-E84 VanDerWaalsContact O-CG 3.29Å; T80-E84 WeakPolarHBondContact O-CG 3.32Å; T80-E84 PolarHBondContact O-N 2.91Å; I82-E84 PolarHBondContact O-N 3.03Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.88Å; E84-R87 WeakPolarHBondContact O-CD 3.03Å; E84-R87 PolarHBondContact O-N 2.9Å; E84-R87 VanDerWaalsContact O-N 3.14Å; E84-K89 HydrophobicContact CG-CG 4.48Å; E84-K89 WeakPolarHBondContact OE1-CE 3.31Å; E84-K89 IonicContact OE1-NZ 2.63Å; E84-K89 PolarHBondContact OE1-NZ 3.44Å |
| 85 | C | 94.8 | Very high | 83.8 | Confident | 2 Ų | 2 | 65 Ų | 65 | 1% | 0.014 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.1 | -42.1 | 175.6 | -177.5 | 0 | 0 | 0 | 0 | 110.8 | F39 Q81 I82 R87 M325 | F39-C85 WeakPolarHBondContact CD2-O 3.47Å; Q81-C85 VanDerWaalsContact O-CB 3.24Å; Q81-C85 WeakPolarHBondContact O-CB 2.9Å; Q81-C85 PolarHBondContact O-N 3.49Å; I82-C85 PolarHBondContact O-N 2.89Å; C85-R87 VanDerWaalsContact C-N 3.27Å; C85-R87 PolarHBondContact O-N 2.86Å; C85-M325 HydrophobicContact CB-CB 4.15Å |
| 86 | L | 92.3 | Very high | 83.1 | Confident | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -76.6 | -9.3 | 178 | -69 | -178.8 | 0 | 0 | 0 | 114.3 | F39 L67 A68 I82 S83 E84 I88 | F39-L86 HydrophobicContact CD2-CD2 4.39Å; F39-L86 HydrophobicContact CE2-CD2 4.3Å; F39-L86 HydrophobicContact CZ-CD2 4.41Å; L67-L86 HydrophobicContact CB-CD1 3.97Å; L67-L86 HydrophobicContact CB-CD2 4.03Å; L67-L86 HydrophobicContact CB-CG 4.34Å; L67-L86 HydrophobicContact CD1-CD2 3.9Å; A68-L86 HydrophobicContact CB-CD1 4.24Å; I82-L86 HydrophobicContact CG2-CD1 3.94Å; I82-L86 HydrophobicContact CG2-CG 4.43Å; I82-L86 WeakPolarHBondContact O-CB 3.33Å; I82-L86 VanDerWaalsContact O-CG 3.3Å; I82-L86 WeakPolarHBondContact O-CG 3.33Å; I82-L86 PolarHBondContact O-N 2.92Å; S83-L86 CarbonylContact O-C 3.54Å; S83-L86 PolarHBondContact O-N 2.84Å; E84-L86 VanDerWaalsContact C-N 3.29Å; E84-L86 PolarHBondContact O-N 2.88Å; L86-I88 VanDerWaalsContact C-N 3.29Å; L86-I88 HydrophobicContact CB-CD1 3.92Å; L86-I88 HydrophobicContact CB-CG1 3.81Å; L86-I88 HydrophobicContact CB-CG2 4.25Å; L86-I88 HydrophobicContact CD1-CD1 3.82Å; L86-I88 PolarHBondContact O-N 2.85Å |
| 87 | R | 91.6 | Very high | 82.3 | Confident | 122 Ų | 122 | 61.9 Ų | 61.9 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 31.4 | -178 | -49.8 | -65.7 | -179.3 | -172.6 | 2 | 113.6 | A35 T38 S83 E84 C85 | A35-R87 HydrophobicContact CB-CB 4.24Å; A35-R87 WeakPolarHBondContact CB-O 3.07Å; T38-R87 HydrophobicContact CG2-CG 3.84Å; S83-R87 PolarHBondContact O-N 3.1Å; E84-R87 WeakPolarHBondContact O-CD 3.03Å; E84-R87 PolarHBondContact O-N 2.9Å; E84-R87 VanDerWaalsContact O-N 3.14Å; C85-R87 VanDerWaalsContact C-N 3.27Å; C85-R87 PolarHBondContact O-N 2.86Å |
| 88 | I | 84.1 | Confident | 81.3 | Confident | 5 Ų | 5 | 57.6 Ų | 57.6 | 3% | 0.026 | 28% | 0.281 | C | S | . | . | trans | -108.5 | 28.8 | -175.6 | 59.1 | 175.8 | 0 | 0 | 0 | 113.6 | L32 A35 M71 S83 L86 H90 W91 V95 | L32-I88 HydrophobicContact CD1-CG2 4.11Å; A35-I88 HydrophobicContact CB-CG2 3.98Å; M71-I88 HydrophobicContact CE-CD1 3.73Å; M71-I88 HydrophobicContact SD-CD1 3.95Å; S83-I88 WeakPolarHBondContact O-CG1 3.05Å; S83-I88 PolarHBondContact O-N 2.91Å; S83-I88 VanDerWaalsContact O-N 3.07Å; L86-I88 VanDerWaalsContact C-N 3.29Å; L86-I88 HydrophobicContact CB-CD1 3.92Å; L86-I88 HydrophobicContact CB-CG1 3.81Å; L86-I88 HydrophobicContact CB-CG2 4.25Å; L86-I88 HydrophobicContact CD1-CD1 3.82Å; L86-I88 PolarHBondContact O-N 2.85Å; I88-H90 PolarHBondContact O-N 3.23Å; I88-W91 HydrophobicContact CB-CE3 3.95Å; I88-W91 HydrophobicContact CB-CZ3 4.25Å; I88-W91 HydrophobicContact CG2-CE3 4.32Å; I88-W91 HydrophobicContact CG2-CZ3 4.33Å; I88-V95 HydrophobicContact CB-CG2 4.49Å; I88-V95 HydrophobicContact CD1-CG1 4.44Å; I88-V95 HydrophobicContact CD1-CG2 4.02Å; I88-V95 HydrophobicContact CG2-CG2 4.27Å | ||
| 89 | K | 67.8 | Low | 80.4 | Confident | 108 Ų | 108 | 57.6 Ų | 57.6 | 47% | 0.47 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50 | 131.1 | -176.6 | -77.4 | -167.2 | 173 | -168.4 | 0 | 111.5 | E84 | E84-K89 HydrophobicContact CG-CG 4.48Å; E84-K89 WeakPolarHBondContact OE1-CE 3.31Å; E84-K89 IonicContact OE1-NZ 2.63Å; E84-K89 PolarHBondContact OE1-NZ 3.44Å |
| 90 | H | 58 | Low | 79.6 | Confident | 175 Ų | 175 | 58 Ų | 58 | 81% | 0.81 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | 17.5 | 174 | -47.8 | -72 | 0 | 0 | 0 | 118.8 | I88 | I88-H90 PolarHBondContact O-N 3.23Š|
| 91 | W | 59.8 | Low | 78.6 | Confident | 83 Ų | 83 | 59.3 Ų | 59.3 | 31% | 0.314 | 29% | 0.285 | S | S | . | . | trans | -125.1 | 43.6 | -176.9 | -55.9 | -42.4 | 0 | 0 | 0 | 116.3 | S31 A35 I88 D93 D94 V95 | S31-W91 WeakPolarHBondContact OG-CH2 3.46Å; S31-W91 WeakPolarHBondContact OG-CZ2 3.47Å; A35-W91 HydrophobicContact CB-CZ3 4.24Å; I88-W91 HydrophobicContact CB-CE3 3.95Å; I88-W91 HydrophobicContact CB-CZ3 4.25Å; I88-W91 HydrophobicContact CG2-CE3 4.32Å; I88-W91 HydrophobicContact CG2-CZ3 4.33Å; W91-D93 PolarHBondContact O-N 3Å; W91-D93 VanDerWaalsContact O-N 3.17Å; W91-D94 PolarHBondContact O-N 2.76Å; W91-V95 HydrophobicContact CB-CB 4.34Å; W91-V95 WeakPolarHBondContact O-CB 3.39Å; W91-V95 WeakPolarHBondContact O-CG1 3.43Å; W91-V95 PolarHBondContact O-N 2.94Å | ||
| 92 | E | 57.3 | Low | 77.3 | Confident | 138 Ų | 138 | 57.8 Ų | 57.8 | 65% | 0.645 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -30.5 | -173.3 | -68.1 | 178.8 | 173.5 | 0 | 0 | 113.7 | H96 | E92-H96 PolarHBondContact O-CD2 3.01Š|
| 93 | D | 55.1 | Low | 76.1 | Confident | 147 Ų | 147 | 59.5 Ų | 59.5 | 79% | 0.786 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.9 | -30.9 | -179.4 | -67 | -29.8 | 0 | 0 | 0 | 114.5 | W91 | W91-D93 PolarHBondContact O-N 3Å; W91-D93 VanDerWaalsContact O-N 3.17Å |
| 94 | D | 70.6 | Confident | 74.7 | Confident | 109 Ų | 109 | 63.2 Ų | 63.2 | 58% | 0.583 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -92.1 | -24.2 | -173.2 | -79.5 | -27 | 0 | 0 | 0 | 114.5 | W91 H96 T97 L98 | W91-D94 PolarHBondContact O-N 2.76Å; D94-H96 PolarHBondContact O-N 2.93Å; D94-T97 PolarHBondContact O-N 3.25Å; D94-L98 WeakPolarHBondContact O-CB 3.24Å; D94-L98 PolarHBondContact O-N 2.92Å |
| 95 | V | 77.5 | Confident | 73 | Confident | 4 Ų | 4 | 62.1 Ų | 62.1 | 2% | 0.024 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.5 | -38.4 | -171.3 | 72.7 | 0 | 0 | 0 | 0 | 112.5 | L32 M71 I88 W91 L98 F99 | L32-V95 HydrophobicContact CD1-CG2 4.17Å; M71-V95 HydrophobicContact CE-CG1 4.05Å; I88-V95 HydrophobicContact CB-CG2 4.49Å; I88-V95 HydrophobicContact CD1-CG1 4.44Å; I88-V95 HydrophobicContact CD1-CG2 4.02Å; I88-V95 HydrophobicContact CG2-CG2 4.27Å; W91-V95 HydrophobicContact CB-CB 4.34Å; W91-V95 WeakPolarHBondContact O-CB 3.39Å; W91-V95 WeakPolarHBondContact O-CG1 3.43Å; W91-V95 PolarHBondContact O-N 2.94Å; V95-L98 PolarHBondContact O-N 2.78Å; V95-F99 HydrophobicContact CG2-CD2 3.93Å; V95-F99 HydrophobicContact CG2-CE2 3.67Å; V95-F99 WeakPolarHBondContact O-CD2 3.32Å; V95-F99 PolarHBondContact O-N 2.85Å |
| 96 | H | 82.2 | Confident | 70.7 | Confident | 12 Ų | 12 | 68.3 Ų | 68.3 | 6% | 0.056 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -69.9 | -40.7 | -179.4 | -59.3 | -63.3 | 0 | 0 | 0 | 111.4 | A68 L72 E92 D94 L98 F99 A100 H143 Y144 | A68-H96 PolarHBondContact O-CE1 2.91Å; L72-H96 VanDerWaalsContact CD2-CD2 3.45Å; L72-H96 WeakPolarHBondContact CD2-CD2 3.26Å; L72-H96 WeakPolarHBondContact CD2-NE2 3.27Å; E92-H96 PolarHBondContact O-CD2 3.01Å; D94-H96 PolarHBondContact O-N 2.93Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 2.94Å; H96-F99 PolarHBondContact O-N 2.92Å; H96-A100 WeakPolarHBondContact O-CB 3.43Å; H96-A100 PolarHBondContact O-N 3.46Å; H96-H143 HydrophobicContact CB-CB 4.14Å; H96-Y144 AromaticContact ND1-CE2 3.81Å; H96-Y144 AromaticContact ND1-CZ 3.7Å; H96-Y144 PolarHBondContact ND1-OH 3.12Å |
| 97 | T | 77.6 | Confident | 68.8 | Low | 77 Ų | 77 | 70.9 Ų | 70.9 | 47% | 0.472 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.6 | -39.3 | 174.1 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | D94 A100 K101 | D94-T97 PolarHBondContact O-N 3.25Å; T97-A100 WeakPolarHBondContact O-CB 3.47Å; T97-A100 PolarHBondContact O-N 3.14Å; T97-K101 WeakPolarHBondContact O-CB 3.37Å; T97-K101 PolarHBondContact O-N 3.09Å |
| 98 | L | 74.1 | Confident | 66.3 | Low | 22 Ų | 22 | 69.4 Ų | 69.4 | 12% | 0.115 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -70.3 | -40.2 | 178.4 | -171.2 | 57.1 | 0 | 0 | 0 | 112.5 | L32 D94 V95 H96 A100 K101 I102 | L32-L98 HydrophobicContact CB-CD2 3.34Å; L32-L98 HydrophobicContact CB-CG 4.35Å; L32-L98 HydrophobicContact CD2-CB 4.14Å; L32-L98 HydrophobicContact CD2-CD2 3.39Å; L32-L98 HydrophobicContact CD2-CG 3.46Å; L32-L98 VanDerWaalsContact CD2-CG 3.46Å; L32-L98 HydrophobicContact CG-CD2 3.93Å; D94-L98 WeakPolarHBondContact O-CB 3.24Å; D94-L98 PolarHBondContact O-N 2.92Å; V95-L98 PolarHBondContact O-N 2.78Å; H96-L98 VanDerWaalsContact C-N 3.32Å; H96-L98 PolarHBondContact O-N 2.94Å; L98-A100 VanDerWaalsContact C-N 3.34Å; L98-K101 PolarHBondContact O-N 3.38Å; L98-I102 HydrophobicContact CG-CD1 4.38Å; L98-I102 WeakPolarHBondContact O-CG1 3.25Å; L98-I102 PolarHBondContact O-N 3.17Å |
| 99 | F | 78.8 | Confident | 64.3 | Low | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.009 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -60.3 | -45.1 | 169 | -82.9 | -61.6 | 0 | 0 | 0 | 111.4 | L32 F61 A68 V95 H96 K101 I102 L103 Y144 | L32-F99 HydrophobicContact CD1-CE2 4.37Å; L32-F99 HydrophobicContact CD1-CZ 4.16Å; L32-F99 HydrophobicContact CD2-CE1 4.48Å; F61-F99 HydrophobicContact CD2-CD1 4.26Å; F61-F99 AromaticContact CD2-CE1 3.95Å; F61-F99 HydrophobicContact CD2-CE1 3.95Å; F61-F99 AromaticContact CE2-CD1 3.53Å; F61-F99 HydrophobicContact CE2-CD1 3.53Å; F61-F99 AromaticContact CE2-CE1 3.68Å; F61-F99 HydrophobicContact CE2-CE1 3.68Å; F61-F99 AromaticContact CZ-CD1 3.87Å; F61-F99 HydrophobicContact CZ-CD1 3.87Å; F61-F99 HydrophobicContact CZ-CE1 4.37Å; A68-F99 HydrophobicContact CB-CD2 3.98Å; A68-F99 HydrophobicContact CB-CE2 3.69Å; V95-F99 HydrophobicContact CG2-CD2 3.93Å; V95-F99 HydrophobicContact CG2-CE2 3.67Å; V95-F99 WeakPolarHBondContact O-CD2 3.32Å; V95-F99 PolarHBondContact O-N 2.85Å; H96-F99 PolarHBondContact O-N 2.92Å; F99-K101 VanDerWaalsContact C-N 3.3Å; F99-K101 PolarHBondContact O-N 3.23Å; F99-I102 PolarHBondContact O-N 3.05Å; F99-L103 VanDerWaalsContact O-CB 3.3Å; F99-L103 WeakPolarHBondContact O-CB 3.36Å; F99-L103 WeakPolarHBondContact O-CG 3.5Å; F99-L103 PolarHBondContact O-N 2.6Å; F99-Y144 HydrophobicContact CB-CE1 4.02Å; F99-Y144 HydrophobicContact CG-CE1 4.41Å |
| 100 | A | 77.1 | Confident | 62.9 | Low | 20 Ų | 20 | 72 Ų | 72 | 17% | 0.165 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.6 | -43.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | H96 T97 L98 L103 S104 H143 | H96-A100 WeakPolarHBondContact O-CB 3.43Å; H96-A100 PolarHBondContact O-N 3.46Å; T97-A100 WeakPolarHBondContact O-CB 3.47Å; T97-A100 PolarHBondContact O-N 3.14Å; L98-A100 VanDerWaalsContact C-N 3.34Å; A100-L103 PolarHBondContact O-N 3.34Å; A100-S104 WeakPolarHBondContact O-CB 3.32Å; A100-S104 PolarHBondContact O-N 3.22Å; A100-S104 PolarHBondContact O-OG 3.5Å; A100-H143 VanDerWaalsContact CA-O 3.31Å; A100-H143 WeakPolarHBondContact CA-O 3.42Å; A100-H143 HydrophobicContact CB-CB 4.37Å; A100-H143 WeakPolarHBondContact CB-O 3.44Å |
| 101 | K | 74.1 | Confident | 62.1 | Low | 94 Ų | 94 | 67.3 Ų | 67.3 | 41% | 0.409 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -60 | -51.4 | 175.9 | -174.5 | 177.4 | 178.6 | 178 | 0 | 111.5 | T97 L98 F99 L103 S104 E105 | T97-K101 WeakPolarHBondContact O-CB 3.37Å; T97-K101 PolarHBondContact O-N 3.09Å; L98-K101 PolarHBondContact O-N 3.38Å; F99-K101 VanDerWaalsContact C-N 3.3Å; F99-K101 PolarHBondContact O-N 3.23Å; K101-L103 VanDerWaalsContact C-N 3.28Å; K101-L103 PolarHBondContact O-N 3Å; K101-S104 WeakPolarHBondContact CA-OG 3.23Å; K101-S104 PolarHBondContact O-N 2.93Å; K101-S104 VanDerWaalsContact O-N 3.17Å; K101-S104 PolarHBondContact O-OG 3.06Å; K101-S104 VanDerWaalsContact O-OG 3.13Å; K101-E105 PolarHBondContact O-N 2.88Å |
| 102 | I | 69.6 | Low | 61.3 | Low | 2 Ų | 2 | 68.8 Ų | 68.8 | 1% | 0.01 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -64.9 | -34.8 | -179.4 | -63.1 | 166.9 | 0 | 0 | 0 | 111.1 | L32 F61 L98 F99 R107 | L32-I102 HydrophobicContact CD2-CD1 3.84Å; F61-I102 HydrophobicContact CD2-CG2 4.42Å; F61-I102 HydrophobicContact CE1-CG2 4.06Å; F61-I102 HydrophobicContact CE2-CB 3.91Å; F61-I102 HydrophobicContact CE2-CD1 3.92Å; F61-I102 HydrophobicContact CE2-CG2 3.5Å; F61-I102 VanDerWaalsContact CE2-CG2 3.5Å; F61-I102 HydrophobicContact CZ-CB 3.72Å; F61-I102 HydrophobicContact CZ-CG2 3.29Å; L98-I102 HydrophobicContact CG-CD1 4.38Å; L98-I102 WeakPolarHBondContact O-CG1 3.25Å; L98-I102 PolarHBondContact O-N 3.17Å; F99-I102 PolarHBondContact O-N 3.05Å; I102-R107 VanDerWaalsContact O-CZ 3.3Å; I102-R107 PolarHBondContact O-NE 3.08Å; I102-R107 PolarHBondContact O-NH2 2.9Å |
| 103 | L | 69.3 | Low | 60.9 | Low | 39 Ų | 39 | 69.6 Ų | 69.6 | 20% | 0.204 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -73.3 | -29.9 | 175.7 | -71.7 | 171.3 | 0 | 0 | 0 | 113.4 | F61 F99 A100 K101 Y144 | F61-L103 HydrophobicContact CE1-CD2 3.71Å; F61-L103 HydrophobicContact CE1-CG 4.2Å; F61-L103 HydrophobicContact CZ-CD2 4.18Å; F61-L103 HydrophobicContact CZ-CG 4.16Å; F99-L103 VanDerWaalsContact O-CB 3.3Å; F99-L103 WeakPolarHBondContact O-CB 3.36Å; F99-L103 WeakPolarHBondContact O-CG 3.5Å; F99-L103 PolarHBondContact O-N 2.6Å; A100-L103 PolarHBondContact O-N 3.34Å; K101-L103 VanDerWaalsContact C-N 3.28Å; K101-L103 PolarHBondContact O-N 3Å; L103-Y144 HydrophobicContact CD1-CD1 4.06Å |
| 104 | S | 63.5 | Low | 60.8 | Low | 89 Ų | 89 | 62.8 Ų | 62.8 | 62% | 0.622 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -94.7 | -13.1 | -177.4 | 61 | 0 | 0 | 0 | 0 | 114.6 | A100 K101 | A100-S104 WeakPolarHBondContact O-CB 3.32Å; A100-S104 PolarHBondContact O-N 3.22Å; A100-S104 PolarHBondContact O-OG 3.5Å; K101-S104 WeakPolarHBondContact CA-OG 3.23Å; K101-S104 PolarHBondContact O-N 2.93Å; K101-S104 VanDerWaalsContact O-N 3.17Å; K101-S104 PolarHBondContact O-OG 3.06Å; K101-S104 VanDerWaalsContact O-OG 3.13Å |
| 105 | E | 59 | Low | 60.4 | Low | 52 Ų | 52 | 61.9 Ų | 61.9 | 24% | 0.243 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -46.1 | 130.6 | 168.4 | -87.3 | 179 | -170.1 | 0 | 0 | 108.6 | K101 R107 N392 | K101-E105 PolarHBondContact O-N 2.88Å; E105-R107 WeakPolarHBondContact O-CG 2.98Å; E105-R107 PolarHBondContact O-N 3.5Å; E105-N392 PolarHBondContact OE2-ND2 2.8Å |
| 106 | P | 44.6 | Very low | 59.7 | Low | 133 Ų | 133 | 62.9 Ų | 62.9 | 86% | 0.864 | 35% | 0.35 | S | S | * | . | trans | -66.1 | 79.9 | -173.8 | 25.7 | -33.3 | 0 | 0 | 0 | 109.9 | ||||
| 107 | R | 52.7 | Low | 59 | Low | 55 Ų | 55 | 63.8 Ų | 63.8 | 21% | 0.208 | 36% | 0.356 | C | S | . | . | trans | -77.1 | 126.3 | 160.4 | -59 | 156.3 | -175.7 | -152.5 | 4.6 | 102.4 | I102 E105 L109 | I102-R107 VanDerWaalsContact O-CZ 3.3Å; I102-R107 PolarHBondContact O-NE 3.08Å; I102-R107 PolarHBondContact O-NH2 2.9Å; E105-R107 WeakPolarHBondContact O-CG 2.98Å; E105-R107 PolarHBondContact O-N 3.5Å; R107-L109 HydrophobicContact CB-CD1 3.44Å; R107-L109 VanDerWaalsContact CB-CD1 3.44Å; R107-L109 HydrophobicContact CB-CD2 3.68Å; R107-L109 HydrophobicContact CB-CG 3.24Å; R107-L109 VanDerWaalsContact CD-CD1 3.45Å; R107-L109 HydrophobicContact CG-CD1 4.12Å; R107-L109 HydrophobicContact CG-CD2 4.45Å; R107-L109 HydrophobicContact CG-CG 4.31Å; R107-L109 PolarHBondContact O-N 3.28Å | ||
| 108 | E | 40.3 | Very low | 58.8 | Low | 91 Ų | 91 | 60.5 Ų | 60.5 | 43% | 0.425 | 34% | 0.336 | S | S | . | . | trans | -64.4 | 59 | 174.3 | -65.5 | 178.2 | -178.9 | 0 | 0 | 110 | S110 A114 K115 | E108-S110 VanDerWaalsContact C-N 3.31Å; E108-S110 PolarHBondContact O-N 2.64Å; E108-A114 HydrophobicContact CB-CB 3.72Å; E108-A114 WeakPolarHBondContact O-CB 3.36Å; E108-K115 IonicContact OE1-NZ 3.44Å; E108-K115 PolarHBondContact OE1-NZ 3.21Å; E108-K115 IonicContact OE2-NZ 3.59Å | ||
| 109 | L | 40.9 | Very low | 58.7 | Low | 55 Ų | 55 | 59.9 Ų | 59.9 | 29% | 0.288 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -2.2 | -161.4 | -71.1 | 163.4 | 0 | 0 | 0 | 114.9 | R107 L118 | R107-L109 HydrophobicContact CB-CD1 3.44Å; R107-L109 VanDerWaalsContact CB-CD1 3.44Å; R107-L109 HydrophobicContact CB-CD2 3.68Å; R107-L109 HydrophobicContact CB-CG 3.24Å; R107-L109 VanDerWaalsContact CD-CD1 3.45Å; R107-L109 HydrophobicContact CG-CD1 4.12Å; R107-L109 HydrophobicContact CG-CD2 4.45Å; R107-L109 HydrophobicContact CG-CG 4.31Å; R107-L109 PolarHBondContact O-N 3.28Å; L109-L118 HydrophobicContact CD2-CB 3.49Å; L109-L118 VanDerWaalsContact CD2-CB 3.49Å; L109-L118 HydrophobicContact CD2-CD2 4.5Å; L109-L118 HydrophobicContact CD2-CG 4.07Å; L109-L118 WeakPolarHBondContact CD2-O 3.4Å |
| 110 | S | 39.3 | Very low | 58.7 | Low | 112 Ų | 112 | 62 Ų | 62 | 78% | 0.783 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -128 | 5 | -173 | -52.1 | 0 | 0 | 0 | 0 | 113.2 | E108 | E108-S110 VanDerWaalsContact C-N 3.31Å; E108-S110 PolarHBondContact O-N 2.64Å |
| 111 | N | 41.2 | Very low | 58.8 | Low | 78 Ų | 78 | 61.1 Ų | 61.1 | 42% | 0.417 | 34% | 0.339 | S | S | . | . | trans | -100.5 | 122.5 | 171.9 | -171.5 | -0.1 | 0 | 0 | 0 | 109.7 | E113 A114 | N111-E113 PolarHBondContact O-N 2.92Å; N111-E113 VanDerWaalsContact O-N 3.11Å; N111-E113 PolarHBondContact OD1-N 3.49Å; N111-A114 HydrophobicContact CB-CB 4.23Å; N111-A114 WeakPolarHBondContact O-CB 3.47Å; N111-A114 PolarHBondContact O-N 2.99Å | ||
| 112 | P | 42.8 | Very low | 59.4 | Low | 113 Ų | 113 | 57.3 Ų | 57.3 | 73% | 0.734 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -21.4 | 170.7 | -23.9 | 32.7 | 0 | 0 | 0 | 114.2 | ||
| 113 | E | 48.6 | Very low | 60.5 | Low | 156 Ų | 156 | 59.2 Ų | 59.2 | 73% | 0.729 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.7 | -0.6 | 175.8 | -60.6 | -178.4 | 163.7 | 0 | 0 | 113.7 | N111 | N111-E113 PolarHBondContact O-N 2.92Å; N111-E113 VanDerWaalsContact O-N 3.11Å; N111-E113 PolarHBondContact OD1-N 3.49Å |
| 114 | A | 52.8 | Low | 61.7 | Low | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.033 | 32% | 0.32 | C | S | . | . | trans | -58.8 | 149.4 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | E108 N111 C116 | E108-A114 HydrophobicContact CB-CB 3.72Å; E108-A114 WeakPolarHBondContact O-CB 3.36Å; N111-A114 HydrophobicContact CB-CB 4.23Å; N111-A114 WeakPolarHBondContact O-CB 3.47Å; N111-A114 PolarHBondContact O-N 2.99Å; A114-C116 PolarHBondContact O-N 3.21Å | ||
| 115 | K | 63 | Low | 63.3 | Low | 89 Ų | 89 | 53.1 Ų | 53.1 | 39% | 0.387 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -61.8 | -26.1 | -178.8 | -59.8 | 171.7 | -175.3 | 133.8 | 0 | 113.1 | E108 K202 E254 | E108-K115 IonicContact OE1-NZ 3.44Å; E108-K115 PolarHBondContact OE1-NZ 3.21Å; E108-K115 IonicContact OE2-NZ 3.59Å; K115-K202 PolarHBondContact O-N 3.44Å; K115-E254 WeakPolarHBondContact CA-OE2 3.32Å; K115-E254 HydrophobicContact CB-CB 4.2Å; K115-E254 HydrophobicContact CB-CG 3.79Å; K115-E254 WeakPolarHBondContact CB-OE2 3.06Å; K115-E254 HydrophobicContact CD-CG 4.12Å; K115-E254 VanDerWaalsContact CG-CD 3.49Å; K115-E254 HydrophobicContact CG-CG 3.9Å |
| 116 | C | 62.4 | Low | 65.1 | Low | 26 Ų | 26 | 50.6 Ų | 50.6 | 18% | 0.176 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.5 | 119.6 | 178 | 176.7 | 0 | 0 | 0 | 0 | 109.8 | A114 L118 F199 | A114-C116 PolarHBondContact O-N 3.21Å; C116-L118 PolarHBondContact O-N 2.82Å; C116-F199 WeakPolarHBondContact SG-CE2 3.41Å |
| 117 | V | 66.8 | Low | 67.7 | Low | 31 Ų | 31 | 44.4 Ų | 44.4 | 19% | 0.188 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 107.9 | 173 | -174.8 | 0 | 0 | 0 | 0 | 108 | Y198 F199 K200 | V117-Y198 HydrophobicContact CB-CE1 4.24Å; V117-Y198 HydrophobicContact CG1-CD1 4.05Å; V117-Y198 HydrophobicContact CG1-CE1 3.81Å; V117-F199 WeakPolarHBondContact O-CA 3.34Å; V117-K200 PolarHBondContact N-O 2.8Å; V117-K200 PolarHBondContact O-N 3.02Å |
| 118 | L | 73.3 | Confident | 69.7 | Low | 8 Ų | 8 | 47.3 Ų | 47.3 | 4% | 0.042 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 130.6 | 169.2 | 173.1 | 60.7 | 0 | 0 | 0 | 106.8 | L109 C116 V120 I197 Y198 F199 F400 | L109-L118 HydrophobicContact CD2-CB 3.49Å; L109-L118 VanDerWaalsContact CD2-CB 3.49Å; L109-L118 HydrophobicContact CD2-CD2 4.5Å; L109-L118 HydrophobicContact CD2-CG 4.07Å; L109-L118 WeakPolarHBondContact CD2-O 3.4Å; C116-L118 PolarHBondContact O-N 2.82Å; L118-V120 HydrophobicContact CD1-CG2 4.23Å; L118-V120 HydrophobicContact CG-CG2 4.24Å; L118-I197 HydrophobicContact CD1-CD1 3.91Å; L118-I197 HydrophobicContact CD1-CG1 3.9Å; L118-Y198 CarbonylContact C-O 3.54Å; L118-Y198 WeakPolarHBondContact CA-O 3.35Å; L118-Y198 WeakPolarHBondContact CD1-O 3.44Å; L118-F199 HydrophobicContact CD1-CB 4.49Å; L118-F199 HydrophobicContact CD1-CD2 4.34Å; L118-F400 HydrophobicContact CD1-CE2 3.79Å; L118-F400 HydrophobicContact CD1-CZ 3.54Å |
| 119 | S | 72.9 | Confident | 72.3 | Confident | 9 Ų | 9 | 45.7 Ų | 45.7 | 6% | 0.063 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 118.6 | 177.7 | -54.9 | 0 | 0 | 0 | 0 | 107.7 | I197 Y198 | S119-I197 CarbonylContact O-C 3.52Å; S119-I197 VanDerWaalsContact O-CA 3.25Å; S119-I197 WeakPolarHBondContact O-CA 3.26Å; S119-Y198 PolarHBondContact N-O 3.25Å; S119-Y198 PolarHBondContact O-N 3.49Å |
| 120 | V | 77.7 | Confident | 74.9 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 28% | 0.279 | 24% | 0.242 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.1 | -178 | -176.5 | 0 | 0 | 0 | 0 | 108 | L118 N122 I197 | L118-V120 HydrophobicContact CD1-CG2 4.23Å; L118-V120 HydrophobicContact CG-CG2 4.24Å; V120-N122 VanDerWaalsContact CG1-CG 3.49Å; V120-N122 VanDerWaalsContact CG1-ND2 3.32Å; V120-N122 WeakPolarHBondContact CG1-ND2 3.32Å; V120-N122 WeakPolarHBondContact CG1-OD1 3.42Å; V120-I197 HydrophobicContact CG2-CD1 3.75Å; V120-I197 HydrophobicContact CG2-CG1 3.97Å |
| 121 | A | 80.8 | Confident | 77.5 | Confident | 2 Ų | 2 | 42.2 Ų | 42.2 | 2% | 0.017 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 91.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | W167 K171 T172 A196 | A121-W167 HydrophobicContact CB-CH2 3.87Å; A121-W167 HydrophobicContact CB-CZ3 3.88Å; A121-K171 HydrophobicContact CB-CB 3.63Å; A121-K171 HydrophobicContact CB-CG 4.43Å; A121-T172 HydrophobicContact CB-CG2 4.1Å; A121-A196 HydrophobicContact CB-CB 4.2Å; A121-A196 PolarHBondContact N-O 3.31Å; A121-A196 PolarHBondContact O-N 2.6Å |
| 122 | N | 86.7 | Confident | 80.1 | Confident | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.07 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 119.3 | 180 | -63.3 | -7.8 | 0 | 0 | 0 | 108.9 | S62 A66 M69 V120 S146 V194 N195 | S62-N122 PolarHBondContact O-ND2 3.39Å; S62-N122 PolarHBondContact OG-ND2 2.97Å; S62-N122 VanDerWaalsContact OG-ND2 3.14Å; S62-N122 PolarHBondContact OG-OD1 3.39Å; S62-N122 VanDerWaalsContact OG-OD1 3.05Å; A66-N122 HydrophobicContact CB-CB 4.43Å; M69-N122 HydrophobicContact CE-CB 4.16Å; V120-N122 VanDerWaalsContact CG1-CG 3.49Å; V120-N122 VanDerWaalsContact CG1-ND2 3.32Å; V120-N122 WeakPolarHBondContact CG1-ND2 3.32Å; V120-N122 WeakPolarHBondContact CG1-OD1 3.42Å; N122-S146 VanDerWaalsContact O-CB 3.24Å; N122-S146 WeakPolarHBondContact O-CB 3.49Å; N122-S146 PolarHBondContact O-OG 3.42Å; N122-S146 VanDerWaalsContact O-OG 3.11Å; N122-V194 WeakPolarHBondContact CA-O 3.48Å; N122-N195 VanDerWaalsContact CG-ND2 3.29Å; N122-N195 PolarHBondContact ND2-ND2 2.88Å; N122-N195 VanDerWaalsContact OD1-CG 3.3Å; N122-N195 PolarHBondContact OD1-ND2 3.4Å |
| 123 | R | 92.1 | Very high | 82.6 | Confident | 42 Ų | 42 | 37.6 Ų | 37.6 | 16% | 0.158 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 145.2 | 178.4 | 177.8 | 168.9 | -73.1 | -170.4 | 0.5 | 112.4 | F125 S146 E147 E149 W167 V194 | R123-F125 HydrophobicContact CB-CE2 3.92Å; R123-F125 HydrophobicContact CB-CZ 4.36Å; R123-F125 VanDerWaalsContact CD-CZ 3.42Å; R123-F125 HydrophobicContact CG-CD2 4.09Å; R123-F125 HydrophobicContact CG-CE1 4.38Å; R123-F125 HydrophobicContact CG-CE2 3.72Å; R123-F125 HydrophobicContact CG-CZ 3.89Å; R123-S146 PolarHBondContact NE-OG 2.81Å; R123-E147 PolarHBondContact NE-O 3.29Å; R123-E149 IonicContact CZ-OE2 3.6Å; R123-E149 IonicContact NH1-OE2 2.6Å; R123-E149 PolarHBondContact NH1-OE2 2.65Å; R123-W167 HydrophobicContact CB-CE3 4.44Å; R123-W167 HydrophobicContact CB-CH2 3.29Å; R123-W167 HydrophobicContact CB-CZ2 3.71Å; R123-W167 HydrophobicContact CB-CZ3 3.71Å; R123-W167 HydrophobicContact CG-CH2 4.36Å; R123-W167 HydrophobicContact CG-CZ2 4.4Å; R123-W167 VanDerWaalsContact CZ-CE2 3.46Å; R123-V194 PolarHBondContact N-O 3.14Å; R123-V194 PolarHBondContact O-N 3.34Å |
| 124 | L | 95.2 | Very high | 84.8 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 132.5 | 164.7 | -73.8 | 163.5 | 0 | 0 | 0 | 110 | M69 A70 F136 L148 E149 M191 V192 L193 M339 L347 | M69-L124 HydrophobicContact CG-CD1 4.19Å; M69-L124 HydrophobicContact SD-CD1 4.14Å; M69-L124 HydrophobicContact SD-CG 4.29Å; A70-L124 HydrophobicContact CB-CD1 4.48Å; L124-F136 HydrophobicContact CD1-CZ 3.86Å; L124-L148 HydrophobicContact CB-CB 4.12Å; L124-L148 HydrophobicContact CB-CD1 3.93Å; L124-L148 HydrophobicContact CB-CG 3.92Å; L124-L148 WeakPolarHBondContact O-CA 2.92Å; L124-E149 PolarHBondContact O-N 3.43Å; L124-M191 HydrophobicContact CD2-CG 4.03Å; L124-M191 HydrophobicContact CD2-SD 3.97Å; L124-V192 WeakPolarHBondContact CA-O 3.33Å; L124-L193 HydrophobicContact CD2-CB 3.84Å; L124-L193 HydrophobicContact CD2-CD1 3.58Å; L124-L193 HydrophobicContact CD2-CG 4.27Å; L124-L193 HydrophobicContact CG-CD1 3.77Å; L124-M339 HydrophobicContact CD1-CE 4.18Å; L124-L347 HydrophobicContact CD2-CD1 4.38Å |
| 125 | F | 96.9 | Very high | 86.7 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 117.7 | 170 | -66.1 | -90.9 | 0 | 0 | 0 | 108.6 | R123 E149 V151 F153 I164 W167 M191 V192 V194 | R123-F125 HydrophobicContact CB-CE2 3.92Å; R123-F125 HydrophobicContact CB-CZ 4.36Å; R123-F125 VanDerWaalsContact CD-CZ 3.42Å; R123-F125 HydrophobicContact CG-CD2 4.09Å; R123-F125 HydrophobicContact CG-CE1 4.38Å; R123-F125 HydrophobicContact CG-CE2 3.72Å; R123-F125 HydrophobicContact CG-CZ 3.89Å; F125-E149 CarbonylContact C-O 3.6Å; F125-E149 VanDerWaalsContact CA-O 3.31Å; F125-E149 WeakPolarHBondContact CA-O 3.24Å; F125-E149 HydrophobicContact CD1-CB 3.84Å; F125-E149 HydrophobicContact CD1-CG 4.28Å; F125-E149 HydrophobicContact CE1-CB 4Å; F125-E149 HydrophobicContact CE1-CG 4.31Å; F125-E149 WeakPolarHBondContact CE1-OE2 3.15Å; F125-V151 HydrophobicContact CB-CG2 4.2Å; F125-V151 HydrophobicContact CD1-CG1 3.91Å; F125-F153 HydrophobicContact CB-CZ 4.2Å; F125-I164 HydrophobicContact CB-CD1 4.18Å; F125-I164 HydrophobicContact CB-CG1 4.38Å; F125-I164 HydrophobicContact CD1-CD1 4.39Å; F125-I164 HydrophobicContact CD1-CG1 3.7Å; F125-I164 HydrophobicContact CD2-CD1 4.27Å; F125-I164 HydrophobicContact CD2-CG1 3.87Å; F125-I164 HydrophobicContact CD2-CG2 4.35Å; F125-I164 HydrophobicContact CE1-CG1 3.81Å; F125-I164 HydrophobicContact CE2-CB 4.42Å; F125-I164 HydrophobicContact CE2-CG1 3.98Å; F125-I164 HydrophobicContact CE2-CG2 3.99Å; F125-I164 HydrophobicContact CG-CD1 4.03Å; F125-I164 HydrophobicContact CG-CG1 3.72Å; F125-I164 HydrophobicContact CZ-CB 4.36Å; F125-I164 HydrophobicContact CZ-CG1 3.94Å; F125-I164 HydrophobicContact CZ-CG2 4.33Å; F125-W167 HydrophobicContact CE2-CE3 4.14Å; F125-W167 HydrophobicContact CE2-CZ3 4.41Å; F125-W167 HydrophobicContact CZ-CB 4.44Å; F125-W167 HydrophobicContact CZ-CD2 4.03Å; F125-W167 AromaticContact CZ-CE3 3.85Å; F125-W167 HydrophobicContact CZ-CE3 3.85Å; F125-W167 HydrophobicContact CZ-CG 4.28Å; F125-W167 HydrophobicContact CZ-CZ3 4.49Å; F125-M191 CarbonylContact O-C 3.38Å; F125-M191 VanDerWaalsContact O-CA 3.29Å; F125-M191 WeakPolarHBondContact O-CA 3.33Å; F125-V192 PolarHBondContact N-O 3.28Å; F125-V192 PolarHBondContact O-N 3.37Å; F125-V194 HydrophobicContact CD2-CG2 4.04Å; F125-V194 HydrophobicContact CE2-CB 4.24Å; F125-V194 HydrophobicContact CE2-CG2 4.08Å |
| 126 | G | 96.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 149.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K128 E149 A150 V151 K190 | G126-K128 PolarHBondContact O-N 3.14Å; G126-E149 PolarHBondContact N-O 2.63Å; G126-A150 CarbonylContact O-C 3.51Å; G126-A150 WeakPolarHBondContact O-CA 3.23Å; G126-V151 PolarHBondContact O-N 3.22Å; G126-K190 CarbonylContact C-O 3.53Å |
| 127 | E | 97.6 | Very high | 89.6 | Confident | 2 Ų | 2 | 38.9 Ų | 38.9 | 1% | 0.009 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 128.3 | 173.5 | 170.9 | 54.3 | -140 | 0 | 0 | 110.4 | S129 Y130 V151 F153 R154 K190 | E127-S129 WeakPolarHBondContact CG-OG 3.04Å; E127-S129 PolarHBondContact O-N 2.83Å; E127-S129 VanDerWaalsContact O-N 3.08Å; E127-S129 PolarHBondContact OE1-N 2.96Å; E127-Y130 HydrophobicContact CB-CD2 3.86Å; E127-Y130 HydrophobicContact CB-CE2 4.03Å; E127-Y130 HydrophobicContact CG-CD2 4.05Å; E127-Y130 HydrophobicContact CG-CE2 4.12Å; E127-Y130 WeakPolarHBondContact O-CD2 2.86Å; E127-Y130 PolarHBondContact O-N 2.91Å; E127-Y130 VanDerWaalsContact O-N 3.1Å; E127-V151 CarbonylContact C-O 2.93Å; E127-V151 WeakPolarHBondContact CA-O 3.35Å; E127-F153 HydrophobicContact CB-CD2 4.2Å; E127-F153 VanDerWaalsContact OE2-CA 3.27Å; E127-F153 WeakPolarHBondContact OE2-CA 3.26Å; E127-F153 VanDerWaalsContact OE2-CB 3.23Å; E127-F153 WeakPolarHBondContact OE2-CB 3.47Å; E127-F153 PolarHBondContact OE2-N 2.91Å; E127-R154 HydrophobicContact CG-CG 4.11Å; E127-R154 PolarHBondContact OE2-N 3.04Å; E127-K190 PolarHBondContact N-O 2.83Å |
| 128 | K | 96.1 | Very high | 90.8 | Very high | 116 Ų | 116 | 41.1 Ų | 41.1 | 50% | 0.504 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | -16.9 | -173.1 | 67.6 | 166.4 | -176.3 | -172.7 | 0 | 114.6 | G126 Y130 A150 V151 D152 | G126-K128 PolarHBondContact O-N 3.14Å; K128-Y130 PolarHBondContact O-N 3.01Å; K128-A150 HydrophobicContact CB-CB 4.16Å; K128-V151 WeakPolarHBondContact CB-O 3.04Å; K128-V151 PolarHBondContact N-O 3.49Å; K128-D152 HydrophobicContact CD-CB 3.82Å; K128-D152 WeakPolarHBondContact CE-OD2 3.02Å; K128-D152 HydrophobicContact CG-CB 4.23Å; K128-D152 VanDerWaalsContact NZ-CG 3.34Å; K128-D152 IonicContact NZ-OD2 2.71Å; K128-D152 PolarHBondContact NZ-OD2 3.42Å |
| 129 | S | 94.6 | Very high | 91.6 | Very high | 58 Ų | 58 | 43.5 Ų | 43.5 | 41% | 0.406 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -11.5 | 176.3 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | E127 | E127-S129 WeakPolarHBondContact CG-OG 3.04Å; E127-S129 PolarHBondContact O-N 2.83Å; E127-S129 VanDerWaalsContact O-N 3.08Å; E127-S129 PolarHBondContact OE1-N 2.96Å |
| 130 | Y | 94.9 | Very high | 92.4 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -87.7 | 138.4 | 175.4 | -69.3 | -100.9 | 0 | 0 | 0 | 110.4 | E127 K128 F132 K190 N342 G344 L345 | E127-Y130 HydrophobicContact CB-CD2 3.86Å; E127-Y130 HydrophobicContact CB-CE2 4.03Å; E127-Y130 HydrophobicContact CG-CD2 4.05Å; E127-Y130 HydrophobicContact CG-CE2 4.12Å; E127-Y130 WeakPolarHBondContact O-CD2 2.86Å; E127-Y130 PolarHBondContact O-N 2.91Å; E127-Y130 VanDerWaalsContact O-N 3.1Å; K128-Y130 PolarHBondContact O-N 3.01Å; Y130-F132 PolarHBondContact O-N 2.95Å; Y130-K190 HydrophobicContact CE2-CD 4.01Å; Y130-K190 WeakPolarHBondContact OH-CD 3.37Å; Y130-K190 PolarHBondContact OH-NZ 3.5Å; Y130-N342 HydrophobicContact CD1-CB 3.67Å; Y130-N342 HydrophobicContact CE1-CB 4.1Å; Y130-G344 PolarHBondContact OH-O 3.35Å; Y130-L345 HydrophobicContact CD1-CB 3.78Å; Y130-L345 HydrophobicContact CD1-CD1 4.05Å; Y130-L345 HydrophobicContact CD1-CG 4.37Å; Y130-L345 HydrophobicContact CD2-CD1 4.35Å; Y130-L345 HydrophobicContact CE1-CB 3.63Å; Y130-L345 HydrophobicContact CE1-CD1 4.22Å; Y130-L345 HydrophobicContact CG-CD1 4.14Å |
| 131 | S | 94.6 | Very high | 92.8 | Very high | 73 Ų | 73 | 46.2 Ų | 46.2 | 51% | 0.51 | 23% | 0.233 | S | C | . | . | trans | -88.4 | 103.3 | 174.4 | -60 | 0 | 0 | 0 | 0 | 109.1 | S340 N342 | S131-S340 PolarHBondContact N-OG 2.91Å; S131-S340 VanDerWaalsContact O-CA 3.31Å; S131-S340 WeakPolarHBondContact O-CA 3.44Å; S131-S340 WeakPolarHBondContact O-CB 3.23Å; S131-S340 PolarHBondContact O-OG 2.69Å; S131-N342 PolarHBondContact N-OD1 3.15Å | ||
| 132 | F | 95.7 | Very high | 93.1 | Very high | 31 Ų | 31 | 50.7 Ų | 50.7 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 136.9 | -179.3 | -60.7 | -72.1 | 0 | 0 | 0 | 111.8 | Y130 L137 L148 A150 M339 L345 | Y130-F132 PolarHBondContact O-N 2.95Å; F132-L137 HydrophobicContact CB-CD1 4.36Å; F132-L137 HydrophobicContact CB-CD2 4.37Å; F132-L137 HydrophobicContact CB-CG 4.43Å; F132-L148 HydrophobicContact CD1-CD1 3.93Å; F132-L148 HydrophobicContact CD1-CD2 3.92Å; F132-L148 HydrophobicContact CD2-CD2 3.72Å; F132-L148 HydrophobicContact CE1-CD1 3.76Å; F132-L148 HydrophobicContact CE1-CD2 3.82Å; F132-L148 HydrophobicContact CE2-CD2 3.63Å; F132-L148 HydrophobicContact CG-CD2 3.88Å; F132-L148 HydrophobicContact CZ-CD1 4.34Å; F132-L148 HydrophobicContact CZ-CD2 3.7Å; F132-A150 HydrophobicContact CD2-CB 4.49Å; F132-A150 HydrophobicContact CE2-CB 4.14Å; F132-M339 CarbonylContact C-O 3.46Å; F132-M339 VanDerWaalsContact CA-O 3.27Å; F132-M339 WeakPolarHBondContact CA-O 3.35Å; F132-L345 HydrophobicContact CE1-CD1 4.49Å; F132-L345 HydrophobicContact CE1-CD2 3.95Å |
| 133 | L | 95.7 | Very high | 92.9 | Very high | 63 Ų | 63 | 52.1 Ų | 52.1 | 33% | 0.33 | 27% | 0.266 | S | S | . | . | trans | -72.3 | 133.6 | -179.3 | -61.2 | -178.2 | 0 | 0 | 0 | 110.7 | E135 F136 L137 M339 | L133-E135 VanDerWaalsContact C-N 3.25Å; L133-E135 PolarHBondContact O-N 2.96Å; L133-F136 HydrophobicContact CB-CB 4.43Å; L133-F136 PolarHBondContact O-N 2.81Å; L133-L137 PolarHBondContact O-N 3.08Å; L133-L137 VanDerWaalsContact O-N 3.14Å; L133-M339 PolarHBondContact N-O 3.42Å | ||
| 134 | Q | 94.3 | Very high | 92.5 | Very high | 141 Ų | 141 | 51 Ų | 51 | 66% | 0.659 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -63 | -33 | 179.8 | -74 | -61.6 | -32 | 0 | 0 | 112.9 | L137 T138 | Q134-L137 PolarHBondContact O-N 3.27Å; Q134-T138 WeakPolarHBondContact O-CB 3.35Å; Q134-T138 PolarHBondContact O-N 2.93Å; Q134-T138 PolarHBondContact O-OG1 3.07Å |
| 135 | E | 93.1 | Very high | 91.7 | Very high | 130 Ų | 130 | 58 Ų | 58 | 61% | 0.607 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -58.4 | -49.4 | 174.5 | -175.8 | 176 | -172.8 | 0 | 0 | 111.1 | L133 L137 T138 Q139 | L133-E135 VanDerWaalsContact C-N 3.25Å; L133-E135 PolarHBondContact O-N 2.96Å; E135-L137 PolarHBondContact O-N 3.36Å; E135-T138 PolarHBondContact O-N 3.46Å; E135-Q139 WeakPolarHBondContact O-CG 2.88Å; E135-Q139 PolarHBondContact O-N 2.89Å |
| 136 | F | 93.4 | Very high | 91 | Very high | 2 Ų | 2 | 58.3 Ų | 58.3 | 1% | 0.009 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62 | -44.7 | 177.1 | 174.8 | -101.6 | 0 | 0 | 0 | 112.7 | L72 L124 L133 T138 Q139 T140 L148 G338 M339 | L72-F136 HydrophobicContact CB-CD2 4.09Å; L72-F136 HydrophobicContact CB-CE2 3.94Å; L124-F136 HydrophobicContact CD1-CZ 3.86Å; L133-F136 HydrophobicContact CB-CB 4.43Å; L133-F136 PolarHBondContact O-N 2.81Å; F136-T138 VanDerWaalsContact C-N 3.28Å; F136-T138 PolarHBondContact O-N 2.95Å; F136-Q139 PolarHBondContact O-N 2.78Å; F136-T140 HydrophobicContact CD1-CG2 4.45Å; F136-T140 HydrophobicContact CD2-CG2 4.12Å; F136-T140 HydrophobicContact CE1-CG2 3.99Å; F136-T140 HydrophobicContact CE2-CG2 3.62Å; F136-T140 HydrophobicContact CZ-CG2 3.55Å; F136-T140 WeakPolarHBondContact O-CB 3.31Å; F136-T140 WeakPolarHBondContact O-CG2 3.36Å; F136-T140 PolarHBondContact O-N 3.1Å; F136-T140 PolarHBondContact O-OG1 3.45Å; F136-L148 HydrophobicContact CE1-CB 3.96Å; F136-L148 HydrophobicContact CE1-CD1 3.74Å; F136-L148 HydrophobicContact CZ-CD1 4.48Å; F136-G338 WeakPolarHBondContact CB-O 3.47Å; F136-M339 HydrophobicContact CD1-CB 4.31Å; F136-M339 HydrophobicContact CD1-CG 4.23Å; F136-M339 HydrophobicContact CD2-CG 3.99Å; F136-M339 HydrophobicContact CE1-CB 4.4Å; F136-M339 HydrophobicContact CE1-CG 4.01Å; F136-M339 HydrophobicContact CE1-SD 4.26Å; F136-M339 HydrophobicContact CE2-CE 3.74Å; F136-M339 HydrophobicContact CE2-CG 3.75Å; F136-M339 HydrophobicContact CE2-SD 4.28Å; F136-M339 HydrophobicContact CG-CB 4.45Å; F136-M339 HydrophobicContact CG-CG 4.22Å; F136-M339 HydrophobicContact CZ-CE 3.64Å; F136-M339 HydrophobicContact CZ-CG 3.77Å; F136-M339 HydrophobicContact CZ-SD 3.86Å |
| 137 | L | 93.1 | Very high | 90.3 | Very high | 29 Ų | 29 | 62 Ų | 62 | 15% | 0.152 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 176.4 | -63.5 | 178.1 | 0 | 0 | 0 | 111.6 | F132 L133 Q134 E135 T140 K141 L148 | F132-L137 HydrophobicContact CB-CD1 4.36Å; F132-L137 HydrophobicContact CB-CD2 4.37Å; F132-L137 HydrophobicContact CB-CG 4.43Å; L133-L137 PolarHBondContact O-N 3.08Å; L133-L137 VanDerWaalsContact O-N 3.14Å; Q134-L137 PolarHBondContact O-N 3.27Å; E135-L137 PolarHBondContact O-N 3.36Å; L137-T140 WeakPolarHBondContact CA-OG1 3.48Å; L137-T140 PolarHBondContact O-OG1 2.94Å; L137-K141 WeakPolarHBondContact O-CB 3.38Å; L137-K141 PolarHBondContact O-N 3.41Å; L137-K141 VanDerWaalsContact O-N 3.08Å; L137-L148 HydrophobicContact CD2-CB 3.89Å |
| 138 | T | 91.9 | Very high | 90 | Very high | 77 Ų | 77 | 62.5 Ų | 62.5 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.5 | -45 | 178.4 | -57.8 | 0 | 0 | 0 | 0 | 111.5 | Q134 E135 F136 K141 T142 | Q134-T138 WeakPolarHBondContact O-CB 3.35Å; Q134-T138 PolarHBondContact O-N 2.93Å; Q134-T138 PolarHBondContact O-OG1 3.07Å; E135-T138 PolarHBondContact O-N 3.46Å; F136-T138 VanDerWaalsContact C-N 3.28Å; F136-T138 PolarHBondContact O-N 2.95Å; T138-K141 PolarHBondContact O-N 2.86Å; T138-T142 WeakPolarHBondContact O-CB 3.18Å; T138-T142 PolarHBondContact O-N 3.28Å; T138-T142 PolarHBondContact O-OG1 3.07Å |
| 139 | Q | 89.6 | Confident | 90 | Very high | 59 Ų | 59 | 58.8 Ų | 58.8 | 28% | 0.276 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.4 | -74.3 | 177.6 | -20.3 | 0 | 0 | 111.9 | L72 E135 F136 K141 T142 H143 | L72-Q139 HydrophobicContact CD1-CB 4.08Å; L72-Q139 HydrophobicContact CD2-CB 4.45Å; E135-Q139 WeakPolarHBondContact O-CG 2.88Å; E135-Q139 PolarHBondContact O-N 2.89Å; F136-Q139 PolarHBondContact O-N 2.78Å; Q139-K141 PolarHBondContact O-N 2.87Å; Q139-T142 PolarHBondContact O-N 2.83Å; Q139-H143 PolarHBondContact O-CD2 2.93Å; Q139-H143 PolarHBondContact O-N 3.49Å |
| 140 | T | 88.8 | Confident | 90 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.9 | -41.9 | 177.9 | 51.1 | 0 | 0 | 0 | 0 | 112 | M69 L72 F136 L137 T142 Y144 S146 | M69-T140 HydrophobicContact CG-CG2 3.69Å; M69-T140 HydrophobicContact SD-CG2 4.5Å; L72-T140 HydrophobicContact CD1-CG2 3.87Å; F136-T140 HydrophobicContact CD1-CG2 4.45Å; F136-T140 HydrophobicContact CD2-CG2 4.12Å; F136-T140 HydrophobicContact CE1-CG2 3.99Å; F136-T140 HydrophobicContact CE2-CG2 3.62Å; F136-T140 HydrophobicContact CZ-CG2 3.55Å; F136-T140 WeakPolarHBondContact O-CB 3.31Å; F136-T140 WeakPolarHBondContact O-CG2 3.36Å; F136-T140 PolarHBondContact O-N 3.1Å; F136-T140 PolarHBondContact O-OG1 3.45Å; L137-T140 WeakPolarHBondContact CA-OG1 3.48Å; L137-T140 PolarHBondContact O-OG1 2.94Å; T140-T142 PolarHBondContact O-N 3.2Å; T140-Y144 WeakPolarHBondContact O-CA 3.44Å; T140-Y144 WeakPolarHBondContact O-CB 3.3Å; T140-Y144 PolarHBondContact O-N 3.33Å; T140-S146 CarbonylContact C-O 3.56Å; T140-S146 VanDerWaalsContact CB-O 3.29Å; T140-S146 WeakPolarHBondContact CB-O 3.38Å |
| 141 | K | 87.4 | Confident | 90.1 | Very high | 112 Ų | 112 | 57.7 Ų | 57.7 | 49% | 0.487 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -59.2 | -46.5 | 171.2 | -166.2 | -171.4 | -161.4 | 141.6 | 0 | 112.2 | L137 T138 Q139 N145 E147 | L137-K141 WeakPolarHBondContact O-CB 3.38Å; L137-K141 PolarHBondContact O-N 3.41Å; L137-K141 VanDerWaalsContact O-N 3.08Å; T138-K141 PolarHBondContact O-N 2.86Å; Q139-K141 PolarHBondContact O-N 2.87Å; K141-N145 VanDerWaalsContact O-CA 3.23Å; K141-N145 WeakPolarHBondContact O-CA 3.33Å; K141-N145 PolarHBondContact O-N 2.82Å; K141-E147 HydrophobicContact CB-CG 3.76Å; K141-E147 HydrophobicContact CD-CG 4.32Å; K141-E147 WeakPolarHBondContact CD-OE1 3.3Å; K141-E147 WeakPolarHBondContact CE-OE1 3.27Å; K141-E147 HydrophobicContact CG-CG 4Å; K141-E147 IonicContact NZ-OE1 3.81Å; K141-E147 PolarHBondContact NZ-OE1 3.42Å |
| 142 | T | 86.3 | Confident | 90.3 | Very high | 96 Ų | 96 | 54.9 Ų | 54.9 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67.5 | -47.8 | -174 | -58.4 | 0 | 0 | 0 | 0 | 111.9 | T138 Q139 T140 | T138-T142 WeakPolarHBondContact O-CB 3.18Å; T138-T142 PolarHBondContact O-N 3.28Å; T138-T142 PolarHBondContact O-OG1 3.07Å; Q139-T142 PolarHBondContact O-N 2.83Å; T140-T142 PolarHBondContact O-N 3.2Å |
| 143 | H | 83.1 | Confident | 90.4 | Very high | 42 Ų | 42 | 53.4 Ų | 53.4 | 19% | 0.194 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -88.2 | -26 | -174.1 | -63.1 | -64.8 | 0 | 0 | 0 | 113.9 | H96 A100 Q139 | H96-H143 HydrophobicContact CB-CB 4.14Å; A100-H143 VanDerWaalsContact CA-O 3.31Å; A100-H143 WeakPolarHBondContact CA-O 3.42Å; A100-H143 HydrophobicContact CB-CB 4.37Å; A100-H143 WeakPolarHBondContact CB-O 3.44Å; Q139-H143 PolarHBondContact O-CD2 2.93Å; Q139-H143 PolarHBondContact O-N 3.49Å |
| 144 | Y | 82.3 | Confident | 90.4 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 8% | 0.075 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -124.4 | -1.8 | -170.8 | -60.5 | -83.2 | 0 | 0 | 0 | 114.3 | S65 A68 M69 L72 H96 F99 L103 T140 S146 | S65-Y144 WeakPolarHBondContact O-CE1 3.36Å; S65-Y144 WeakPolarHBondContact OG-CD1 3.31Å; S65-Y144 WeakPolarHBondContact OG-CE1 3.49Å; A68-Y144 VanDerWaalsContact CB-OH 3.23Å; A68-Y144 WeakPolarHBondContact CB-OH 3.45Å; M69-Y144 HydrophobicContact CB-CD1 4.39Å; M69-Y144 HydrophobicContact CB-CD2 4.02Å; M69-Y144 HydrophobicContact CB-CE1 4.32Å; M69-Y144 HydrophobicContact CB-CE2 3.95Å; M69-Y144 HydrophobicContact CB-CG 4.24Å; M69-Y144 HydrophobicContact CE-CD1 4.1Å; M69-Y144 HydrophobicContact CE-CD2 4.46Å; M69-Y144 HydrophobicContact CE-CG 3.83Å; M69-Y144 HydrophobicContact CG-CD2 3.91Å; M69-Y144 HydrophobicContact CG-CE2 4.25Å; M69-Y144 HydrophobicContact CG-CG 4.22Å; M69-Y144 PolarHBondContact N-OH 3.33Å; L72-Y144 HydrophobicContact CD1-CD2 4.25Å; L72-Y144 HydrophobicContact CD1-CE2 3.76Å; H96-Y144 AromaticContact ND1-CE2 3.81Å; H96-Y144 AromaticContact ND1-CZ 3.7Å; H96-Y144 PolarHBondContact ND1-OH 3.12Å; F99-Y144 HydrophobicContact CB-CE1 4.02Å; F99-Y144 HydrophobicContact CG-CE1 4.41Å; L103-Y144 HydrophobicContact CD1-CD1 4.06Å; T140-Y144 WeakPolarHBondContact O-CA 3.44Å; T140-Y144 WeakPolarHBondContact O-CB 3.3Å; T140-Y144 PolarHBondContact O-N 3.33Å; Y144-S146 PolarHBondContact O-N 2.87Å |
| 145 | N | 80.3 | Confident | 90.5 | Very high | 147 Ų | 147 | 55.8 Ų | 55.8 | 79% | 0.786 | 29% | 0.287 | S | S | * | . | S | Bend | trans | 51.2 | 29.8 | -173.8 | -164.8 | 30.1 | 0 | 0 | 0 | 112.8 | K141 | K141-N145 VanDerWaalsContact O-CA 3.23Å; K141-N145 WeakPolarHBondContact O-CA 3.33Å; K141-N145 PolarHBondContact O-N 2.82Å |
| 146 | S | 81.8 | Confident | 90.7 | Very high | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.042 | 28% | 0.277 | C | S | . | . | trans | -140.7 | 123 | 175 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | N122 R123 T140 Y144 | N122-S146 VanDerWaalsContact O-CB 3.24Å; N122-S146 WeakPolarHBondContact O-CB 3.49Å; N122-S146 PolarHBondContact O-OG 3.42Å; N122-S146 VanDerWaalsContact O-OG 3.11Å; R123-S146 PolarHBondContact NE-OG 2.81Å; T140-S146 CarbonylContact C-O 3.56Å; T140-S146 VanDerWaalsContact CB-O 3.29Å; T140-S146 WeakPolarHBondContact CB-O 3.38Å; Y144-S146 PolarHBondContact O-N 2.87Å | ||
| 147 | E | 82.3 | Confident | 90.8 | Very high | 79 Ų | 79 | 55 Ų | 55 | 37% | 0.369 | 28% | 0.284 | S | S | . | . | trans | -83.7 | 150.6 | 166.4 | -68.4 | 171.7 | -165.5 | 0 | 0 | 109.8 | R123 K141 | R123-E147 PolarHBondContact NE-O 3.29Å; K141-E147 HydrophobicContact CB-CG 3.76Å; K141-E147 HydrophobicContact CD-CG 4.32Å; K141-E147 WeakPolarHBondContact CD-OE1 3.3Å; K141-E147 WeakPolarHBondContact CE-OE1 3.27Å; K141-E147 HydrophobicContact CG-CG 4Å; K141-E147 IonicContact NZ-OE1 3.81Å; K141-E147 PolarHBondContact NZ-OE1 3.42Å | ||
| 148 | L | 91.1 | Very high | 90.9 | Very high | 11 Ų | 11 | 57.8 Ų | 57.8 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | trans | -64.5 | 134.8 | 164.9 | 176.9 | 158.6 | 0 | 0 | 0 | 109 | L124 F132 F136 L137 M191 | L124-L148 HydrophobicContact CB-CB 4.12Å; L124-L148 HydrophobicContact CB-CD1 3.93Å; L124-L148 HydrophobicContact CB-CG 3.92Å; L124-L148 WeakPolarHBondContact O-CA 2.92Å; F132-L148 HydrophobicContact CD1-CD1 3.93Å; F132-L148 HydrophobicContact CD1-CD2 3.92Å; F132-L148 HydrophobicContact CD2-CD2 3.72Å; F132-L148 HydrophobicContact CE1-CD1 3.76Å; F132-L148 HydrophobicContact CE1-CD2 3.82Å; F132-L148 HydrophobicContact CE2-CD2 3.63Å; F132-L148 HydrophobicContact CG-CD2 3.88Å; F132-L148 HydrophobicContact CZ-CD1 4.34Å; F132-L148 HydrophobicContact CZ-CD2 3.7Å; F136-L148 HydrophobicContact CE1-CB 3.96Å; F136-L148 HydrophobicContact CE1-CD1 3.74Å; F136-L148 HydrophobicContact CZ-CD1 4.48Å; L137-L148 HydrophobicContact CD2-CB 3.89Å; L148-M191 HydrophobicContact CD1-SD 4.39Å | ||
| 149 | E | 94.6 | Very high | 91.2 | Very high | 38 Ų | 38 | 59.6 Ų | 59.6 | 18% | 0.178 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 123.3 | 179.3 | -173.1 | 173.3 | 170.2 | 0 | 0 | 111.8 | R123 L124 F125 G126 V151 K163 | R123-E149 IonicContact CZ-OE2 3.6Å; R123-E149 IonicContact NH1-OE2 2.6Å; R123-E149 PolarHBondContact NH1-OE2 2.65Å; L124-E149 PolarHBondContact O-N 3.43Å; F125-E149 CarbonylContact C-O 3.6Å; F125-E149 VanDerWaalsContact CA-O 3.31Å; F125-E149 WeakPolarHBondContact CA-O 3.24Å; F125-E149 HydrophobicContact CD1-CB 3.84Å; F125-E149 HydrophobicContact CD1-CG 4.28Å; F125-E149 HydrophobicContact CE1-CB 4Å; F125-E149 HydrophobicContact CE1-CG 4.31Å; F125-E149 WeakPolarHBondContact CE1-OE2 3.15Å; G126-E149 PolarHBondContact N-O 2.63Å; E149-V151 HydrophobicContact CG-CG1 4.34Å; E149-K163 WeakPolarHBondContact OE1-CE 3.32Å; E149-K163 IonicContact OE1-NZ 2.87Å; E149-K163 PolarHBondContact OE1-NZ 3.3Å |
| 150 | A | 96.3 | Very high | 91.5 | Very high | 49 Ų | 49 | 57 Ų | 57 | 41% | 0.405 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 126.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | G126 K128 F132 | G126-A150 CarbonylContact O-C 3.51Å; G126-A150 WeakPolarHBondContact O-CA 3.23Å; K128-A150 HydrophobicContact CB-CB 4.16Å; F132-A150 HydrophobicContact CD2-CB 4.49Å; F132-A150 HydrophobicContact CE2-CB 4.14Å |
| 151 | V | 97.2 | Very high | 91.9 | Very high | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.042 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 162 | 179.4 | -61.6 | 0 | 0 | 0 | 0 | 111.2 | F125 G126 E127 K128 E149 F153 A160 K163 | F125-V151 HydrophobicContact CB-CG2 4.2Å; F125-V151 HydrophobicContact CD1-CG1 3.91Å; G126-V151 PolarHBondContact O-N 3.22Å; E127-V151 CarbonylContact C-O 2.93Å; E127-V151 WeakPolarHBondContact CA-O 3.35Å; K128-V151 WeakPolarHBondContact CB-O 3.04Å; K128-V151 PolarHBondContact N-O 3.49Å; E149-V151 HydrophobicContact CG-CG1 4.34Å; V151-F153 HydrophobicContact CG2-CD1 4.3Å; V151-F153 HydrophobicContact CG2-CD2 3.77Å; V151-F153 HydrophobicContact CG2-CE1 3.9Å; V151-F153 HydrophobicContact CG2-CE2 3.31Å; V151-F153 HydrophobicContact CG2-CG 4.25Å; V151-F153 HydrophobicContact CG2-CZ 3.38Å; V151-A160 HydrophobicContact CB-CB 3.98Å; V151-A160 HydrophobicContact CG2-CB 4.08Å; V151-K163 HydrophobicContact CG1-CD 4.07Å |
| 152 | D | 97.4 | Very high | 92.4 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 8% | 0.075 | 29% | 0.288 | C | S | . | . | trans | -101.5 | 79.8 | -176.4 | -174.3 | -11.8 | 0 | 0 | 0 | 110.8 | K128 T155 K156 C157 | K128-D152 HydrophobicContact CD-CB 3.82Å; K128-D152 WeakPolarHBondContact CE-OD2 3.02Å; K128-D152 HydrophobicContact CG-CB 4.23Å; K128-D152 VanDerWaalsContact NZ-CG 3.34Å; K128-D152 IonicContact NZ-OD2 2.71Å; K128-D152 PolarHBondContact NZ-OD2 3.42Å; D152-T155 WeakPolarHBondContact OD1-CA 3.33Å; D152-T155 PolarHBondContact OD1-N 2.93Å; D152-T155 PolarHBondContact OD1-OG1 2.84Å; D152-T155 PolarHBondContact OD2-OG1 3.44Å; D152-K156 HydrophobicContact CB-CB 3.99Å; D152-K156 HydrophobicContact CB-CD 4.45Å; D152-K156 CarbonylContact O-C 3.57Å; D152-K156 VanDerWaalsContact O-CA 3.31Å; D152-K156 WeakPolarHBondContact O-CA 3.22Å; D152-K156 PolarHBondContact O-N 3.45Å; D152-K156 VanDerWaalsContact O-N 3.12Å; D152-K156 PolarHBondContact OD1-N 3.41Å; D152-C157 PolarHBondContact O-N 2.94Å | ||
| 153 | F | 97.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -68.1 | -38.2 | 172 | -64.6 | -63.2 | 0 | 0 | 0 | 111.4 | F125 E127 V151 T155 C157 A160 I164 V185 N187 T189 V192 | F125-F153 HydrophobicContact CB-CZ 4.2Å; E127-F153 HydrophobicContact CB-CD2 4.2Å; E127-F153 VanDerWaalsContact OE2-CA 3.27Å; E127-F153 WeakPolarHBondContact OE2-CA 3.26Å; E127-F153 VanDerWaalsContact OE2-CB 3.23Å; E127-F153 WeakPolarHBondContact OE2-CB 3.47Å; E127-F153 PolarHBondContact OE2-N 2.91Å; V151-F153 HydrophobicContact CG2-CD1 4.3Å; V151-F153 HydrophobicContact CG2-CD2 3.77Å; V151-F153 HydrophobicContact CG2-CE1 3.9Å; V151-F153 HydrophobicContact CG2-CE2 3.31Å; V151-F153 HydrophobicContact CG2-CG 4.25Å; V151-F153 HydrophobicContact CG2-CZ 3.38Å; F153-T155 PolarHBondContact O-N 2.87Å; F153-C157 WeakPolarHBondContact O-CA 3.27Å; F153-C157 WeakPolarHBondContact O-CB 3.39Å; F153-C157 PolarHBondContact O-N 3.38Å; F153-A160 HydrophobicContact CD1-CB 3.84Å; F153-A160 HydrophobicContact CE1-CB 3.96Å; F153-I164 HydrophobicContact CE1-CD1 3.9Å; F153-I164 HydrophobicContact CZ-CD1 3.94Å; F153-V185 HydrophobicContact CD1-CB 4.3Å; F153-V185 HydrophobicContact CE1-CB 4.24Å; F153-V185 HydrophobicContact CE1-CG1 4.12Å; F153-N187 WeakPolarHBondContact O-CA 3.21Å; F153-T189 WeakPolarHBondContact CB-O 3.27Å; F153-T189 HydrophobicContact CD1-CG2 3.97Å; F153-T189 HydrophobicContact CD2-CG2 3.79Å; F153-T189 HydrophobicContact CE1-CG2 4.02Å; F153-T189 HydrophobicContact CE2-CG2 3.83Å; F153-T189 HydrophobicContact CG-CG2 3.86Å; F153-T189 HydrophobicContact CZ-CG2 3.95Å; F153-V192 HydrophobicContact CE1-CG2 4.31Å; F153-V192 HydrophobicContact CE2-CG2 4.33Å; F153-V192 HydrophobicContact CZ-CB 4.36Å; F153-V192 HydrophobicContact CZ-CG2 3.74Å |
| 154 | R | 96 | Very high | 93.5 | Very high | 146 Ų | 146 | 53.9 Ų | 53.9 | 55% | 0.551 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | -173.7 | -74.1 | -177.4 | 69.2 | -170.4 | -0.8 | 114.3 | E127 N187 | E127-R154 HydrophobicContact CG-CG 4.11Å; E127-R154 PolarHBondContact OE2-N 3.04Å; R154-N187 WeakPolarHBondContact O-CB 3.4Å |
| 155 | T | 96.9 | Very high | 94.1 | Very high | 108 Ų | 108 | 53.4 Ų | 53.4 | 66% | 0.663 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -116.4 | -21.1 | -173.2 | 74.8 | 0 | 0 | 0 | 0 | 113.3 | D152 F153 | D152-T155 WeakPolarHBondContact OD1-CA 3.33Å; D152-T155 PolarHBondContact OD1-N 2.93Å; D152-T155 PolarHBondContact OD1-OG1 2.84Å; D152-T155 PolarHBondContact OD2-OG1 3.44Å; F153-T155 PolarHBondContact O-N 2.87Å |
| 156 | K | 96.9 | Very high | 94.8 | Very high | 91 Ų | 91 | 50.9 Ų | 50.9 | 40% | 0.396 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -130.6 | 42.6 | -177.5 | -66.9 | 170.6 | 155.3 | -104.2 | 0 | 112.5 | D152 E158 E159 A160 | D152-K156 HydrophobicContact CB-CB 3.99Å; D152-K156 HydrophobicContact CB-CD 4.45Å; D152-K156 CarbonylContact O-C 3.57Å; D152-K156 VanDerWaalsContact O-CA 3.31Å; D152-K156 WeakPolarHBondContact O-CA 3.22Å; D152-K156 PolarHBondContact O-N 3.45Å; D152-K156 VanDerWaalsContact O-N 3.12Å; D152-K156 PolarHBondContact OD1-N 3.41Å; K156-E158 PolarHBondContact O-N 3.35Å; K156-E159 HydrophobicContact CB-CB 4.16Å; K156-E159 HydrophobicContact CB-CG 4.29Å; K156-E159 WeakPolarHBondContact CD-OE2 3.36Å; K156-E159 VanDerWaalsContact NZ-CD 3.25Å; K156-E159 IonicContact NZ-OE1 2.96Å; K156-E159 PolarHBondContact NZ-OE1 2.79Å; K156-E159 IonicContact NZ-OE2 3.29Å; K156-E159 PolarHBondContact NZ-OE2 3.48Å; K156-E159 WeakPolarHBondContact O-CB 3.28Å; K156-E159 PolarHBondContact O-N 3.34Å; K156-A160 PolarHBondContact O-N 3.21Å |
| 157 | C | 95.6 | Very high | 95.4 | Very high | 24 Ų | 24 | 51.8 Ų | 51.8 | 16% | 0.162 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.4 | -46.6 | -173.8 | -166 | 0 | 0 | 0 | 0 | 114.5 | D152 F153 E159 A160 R161 V185 N186 | D152-C157 PolarHBondContact O-N 2.94Å; F153-C157 WeakPolarHBondContact O-CA 3.27Å; F153-C157 WeakPolarHBondContact O-CB 3.39Å; F153-C157 PolarHBondContact O-N 3.38Å; C157-E159 PolarHBondContact O-N 2.71Å; C157-A160 WeakPolarHBondContact O-CB 3.24Å; C157-A160 PolarHBondContact O-N 3.19Å; C157-R161 PolarHBondContact O-N 3.23Å; C157-V185 VanDerWaalsContact SG-C 3.52Å; C157-N186 WeakPolarHBondContact SG-CA 3.14Å; C157-N186 PolarHBondContact SG-N 2.97Å |
| 158 | E | 96.3 | Very high | 95.8 | Very high | 88 Ų | 88 | 48 Ų | 48 | 41% | 0.411 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.7 | -35.1 | 178.9 | -78.1 | -62.1 | 139.3 | 0 | 0 | 112.6 | K156 R161 V162 | K156-E158 PolarHBondContact O-N 3.35Å; E158-R161 PolarHBondContact O-N 2.84Å; E158-R161 IonicContact OE1-NE 3.93Å; E158-R161 IonicContact OE2-CZ 3.67Å; E158-R161 VanDerWaalsContact OE2-CZ 3.27Å; E158-R161 IonicContact OE2-NE 2.68Å; E158-R161 PolarHBondContact OE2-NE 3.14Å; E158-R161 IonicContact OE2-NH2 2.81Å; E158-R161 PolarHBondContact OE2-NH2 3.34Å; E158-V162 WeakPolarHBondContact O-CG2 3.5Å; E158-V162 PolarHBondContact O-N 3.36Å |
| 159 | E | 97 | Very high | 95.8 | Very high | 116 Ų | 116 | 50.2 Ų | 50.2 | 54% | 0.542 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 172.8 | -61.1 | 178.1 | -152.9 | 0 | 0 | 110.4 | K156 C157 R161 V162 K163 | K156-E159 HydrophobicContact CB-CB 4.16Å; K156-E159 HydrophobicContact CB-CG 4.29Å; K156-E159 WeakPolarHBondContact CD-OE2 3.36Å; K156-E159 VanDerWaalsContact NZ-CD 3.25Å; K156-E159 IonicContact NZ-OE1 2.96Å; K156-E159 PolarHBondContact NZ-OE1 2.79Å; K156-E159 IonicContact NZ-OE2 3.29Å; K156-E159 PolarHBondContact NZ-OE2 3.48Å; K156-E159 WeakPolarHBondContact O-CB 3.28Å; K156-E159 PolarHBondContact O-N 3.34Å; C157-E159 PolarHBondContact O-N 2.71Å; E159-R161 PolarHBondContact O-N 3.17Å; E159-V162 PolarHBondContact O-N 2.86Å; E159-K163 WeakPolarHBondContact O-CB 3.3Å; E159-K163 PolarHBondContact O-N 2.83Å |
| 160 | A | 97.1 | Very high | 95.6 | Very high | 5 Ų | 5 | 55 Ų | 55 | 4% | 0.041 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V151 F153 K156 C157 V162 K163 I164 | V151-A160 HydrophobicContact CB-CB 3.98Å; V151-A160 HydrophobicContact CG2-CB 4.08Å; F153-A160 HydrophobicContact CD1-CB 3.84Å; F153-A160 HydrophobicContact CE1-CB 3.96Å; K156-A160 PolarHBondContact O-N 3.21Å; C157-A160 WeakPolarHBondContact O-CB 3.24Å; C157-A160 PolarHBondContact O-N 3.19Å; A160-V162 PolarHBondContact O-N 2.88Å; A160-K163 WeakPolarHBondContact O-CB 3.49Å; A160-K163 PolarHBondContact O-N 2.68Å; A160-I164 VanDerWaalsContact O-CG1 3.27Å; A160-I164 WeakPolarHBondContact O-CG1 3.46Å; A160-I164 PolarHBondContact O-N 2.62Å |
| 161 | R | 96.9 | Very high | 95 | Very high | 25 Ų | 25 | 57.2 Ų | 57.2 | 9% | 0.094 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.6 | -45 | 175.8 | -169.2 | -170.2 | 62.6 | 66 | 9.3 | 112.3 | C157 E158 E159 N165 V180 V181 V185 | C157-R161 PolarHBondContact O-N 3.23Å; E158-R161 PolarHBondContact O-N 2.84Å; E158-R161 IonicContact OE1-NE 3.93Å; E158-R161 IonicContact OE2-CZ 3.67Å; E158-R161 VanDerWaalsContact OE2-CZ 3.27Å; E158-R161 IonicContact OE2-NE 2.68Å; E158-R161 PolarHBondContact OE2-NE 3.14Å; E158-R161 IonicContact OE2-NH2 2.81Å; E158-R161 PolarHBondContact OE2-NH2 3.34Å; E159-R161 PolarHBondContact O-N 3.17Å; R161-N165 PolarHBondContact NH1-ND2 2.8Å; R161-N165 PolarHBondContact O-N 2.89Å; R161-N165 VanDerWaalsContact O-N 3.14Å; R161-N165 PolarHBondContact O-ND2 3.39Å; R161-V180 HydrophobicContact CG-CB 4.07Å; R161-V180 HydrophobicContact CG-CG1 3.8Å; R161-V180 WeakPolarHBondContact CG-O 3.23Å; R161-V180 PolarHBondContact NH1-O 2.85Å; R161-V181 WeakPolarHBondContact CD-O 3.37Å; R161-V185 HydrophobicContact CB-CG2 3.82Å; R161-V185 HydrophobicContact CG-CG2 3.97Å |
| 162 | V | 96.7 | Very high | 94.3 | Very high | 62 Ų | 62 | 56.9 Ų | 56.9 | 38% | 0.376 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -64.8 | -43 | 177.2 | 170.2 | 0 | 0 | 0 | 0 | 110.5 | E158 E159 A160 I164 N165 N166 | E158-V162 WeakPolarHBondContact O-CG2 3.5Å; E158-V162 PolarHBondContact O-N 3.36Å; E159-V162 PolarHBondContact O-N 2.86Å; A160-V162 PolarHBondContact O-N 2.88Å; V162-I164 PolarHBondContact O-N 3.13Å; V162-N165 PolarHBondContact O-N 3.41Å; V162-N166 WeakPolarHBondContact O-CB 3.42Å; V162-N166 VanDerWaalsContact O-CG 3.25Å; V162-N166 PolarHBondContact O-N 3.35Å; V162-N166 PolarHBondContact O-OD1 2.79Å |
| 163 | K | 96.6 | Very high | 93.7 | Very high | 97 Ų | 97 | 61.5 Ų | 61.5 | 42% | 0.422 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -57.6 | -47.6 | 176.8 | -165.6 | -173.5 | -162 | -165.9 | 0 | 112.1 | E149 V151 E159 A160 N165 N166 W167 | E149-K163 WeakPolarHBondContact OE1-CE 3.32Å; E149-K163 IonicContact OE1-NZ 2.87Å; E149-K163 PolarHBondContact OE1-NZ 3.3Å; V151-K163 HydrophobicContact CG1-CD 4.07Å; E159-K163 WeakPolarHBondContact O-CB 3.3Å; E159-K163 PolarHBondContact O-N 2.83Å; A160-K163 WeakPolarHBondContact O-CB 3.49Å; A160-K163 PolarHBondContact O-N 2.68Å; K163-N165 VanDerWaalsContact C-N 3.35Å; K163-N165 PolarHBondContact O-N 3.28Å; K163-N166 PolarHBondContact O-N 3.45Å; K163-W167 WeakPolarHBondContact O-CB 3.37Å; K163-W167 PolarHBondContact O-N 2.97Å |
| 164 | I | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -58.1 | -47.7 | 176.7 | -68.5 | 165.3 | 0 | 0 | 0 | 110.6 | F125 F153 A160 V162 W167 V168 V180 V194 | F125-I164 HydrophobicContact CB-CD1 4.18Å; F125-I164 HydrophobicContact CB-CG1 4.38Å; F125-I164 HydrophobicContact CD1-CD1 4.39Å; F125-I164 HydrophobicContact CD1-CG1 3.7Å; F125-I164 HydrophobicContact CD2-CD1 4.27Å; F125-I164 HydrophobicContact CD2-CG1 3.87Å; F125-I164 HydrophobicContact CD2-CG2 4.35Å; F125-I164 HydrophobicContact CE1-CG1 3.81Å; F125-I164 HydrophobicContact CE2-CB 4.42Å; F125-I164 HydrophobicContact CE2-CG1 3.98Å; F125-I164 HydrophobicContact CE2-CG2 3.99Å; F125-I164 HydrophobicContact CG-CD1 4.03Å; F125-I164 HydrophobicContact CG-CG1 3.72Å; F125-I164 HydrophobicContact CZ-CB 4.36Å; F125-I164 HydrophobicContact CZ-CG1 3.94Å; F125-I164 HydrophobicContact CZ-CG2 4.33Å; F153-I164 HydrophobicContact CE1-CD1 3.9Å; F153-I164 HydrophobicContact CZ-CD1 3.94Å; A160-I164 VanDerWaalsContact O-CG1 3.27Å; A160-I164 WeakPolarHBondContact O-CG1 3.46Å; A160-I164 PolarHBondContact O-N 2.62Å; V162-I164 PolarHBondContact O-N 3.13Å; I164-W167 PolarHBondContact O-N 2.86Å; I164-V168 WeakPolarHBondContact O-CG2 3.2Å; I164-V168 PolarHBondContact O-N 3.39Å; I164-V180 HydrophobicContact CG2-CG2 3.72Å; I164-V194 HydrophobicContact CG2-CG2 3.76Å |
| 165 | N | 95.5 | Very high | 92.6 | Very high | 9 Ų | 9 | 60.5 Ų | 60.5 | 5% | 0.048 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.5 | -42.7 | -179.8 | -76 | -51.3 | 0 | 0 | 0 | 112.8 | R161 V162 K163 W167 V168 E169 N178 M179 V180 | R161-N165 PolarHBondContact NH1-ND2 2.8Å; R161-N165 PolarHBondContact O-N 2.89Å; R161-N165 VanDerWaalsContact O-N 3.14Å; R161-N165 PolarHBondContact O-ND2 3.39Å; V162-N165 PolarHBondContact O-N 3.41Å; K163-N165 VanDerWaalsContact C-N 3.35Å; K163-N165 PolarHBondContact O-N 3.28Å; N165-W167 VanDerWaalsContact C-N 3.32Å; N165-W167 PolarHBondContact O-N 2.8Å; N165-V168 PolarHBondContact O-N 2.85Å; N165-E169 WeakPolarHBondContact O-CB 3.49Å; N165-E169 PolarHBondContact O-N 3.22Å; N165-N178 VanDerWaalsContact OD1-C 3.3Å; N165-N178 WeakPolarHBondContact OD1-CA 3.48Å; N165-M179 WeakPolarHBondContact OD1-CA 3.38Å; N165-M179 PolarHBondContact OD1-N 3.44Å; N165-V180 PolarHBondContact ND2-O 3.08Å; N165-V180 PolarHBondContact OD1-N 3.5Å |
| 166 | N | 95.4 | Very high | 92 | Very high | 93 Ų | 93 | 55.3 Ų | 55.3 | 50% | 0.497 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63 | -41.4 | 177.6 | -69.5 | -7 | 0 | 0 | 0 | 111.1 | V162 K163 E169 E170 | V162-N166 WeakPolarHBondContact O-CB 3.42Å; V162-N166 VanDerWaalsContact O-CG 3.25Å; V162-N166 PolarHBondContact O-N 3.35Å; V162-N166 PolarHBondContact O-OD1 2.79Å; K163-N166 PolarHBondContact O-N 3.45Å; N166-E169 PolarHBondContact O-N 3.23Å; N166-E170 WeakPolarHBondContact O-CB 3.2Å; N166-E170 PolarHBondContact O-N 3.46Å |
| 167 | W | 93.5 | Very high | 91.7 | Very high | 25 Ų | 25 | 57.5 Ų | 57.5 | 10% | 0.095 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 175.8 | 177.3 | 84.2 | 0 | 0 | 0 | 112.1 | A121 R123 F125 K163 I164 N165 E169 E170 K171 | A121-W167 HydrophobicContact CB-CH2 3.87Å; A121-W167 HydrophobicContact CB-CZ3 3.88Å; R123-W167 HydrophobicContact CB-CE3 4.44Å; R123-W167 HydrophobicContact CB-CH2 3.29Å; R123-W167 HydrophobicContact CB-CZ2 3.71Å; R123-W167 HydrophobicContact CB-CZ3 3.71Å; R123-W167 HydrophobicContact CG-CH2 4.36Å; R123-W167 HydrophobicContact CG-CZ2 4.4Å; R123-W167 VanDerWaalsContact CZ-CE2 3.46Å; F125-W167 HydrophobicContact CE2-CE3 4.14Å; F125-W167 HydrophobicContact CE2-CZ3 4.41Å; F125-W167 HydrophobicContact CZ-CB 4.44Å; F125-W167 HydrophobicContact CZ-CD2 4.03Å; F125-W167 AromaticContact CZ-CE3 3.85Å; F125-W167 HydrophobicContact CZ-CE3 3.85Å; F125-W167 HydrophobicContact CZ-CG 4.28Å; F125-W167 HydrophobicContact CZ-CZ3 4.49Å; K163-W167 WeakPolarHBondContact O-CB 3.37Å; K163-W167 PolarHBondContact O-N 2.97Å; I164-W167 PolarHBondContact O-N 2.86Å; N165-W167 VanDerWaalsContact C-N 3.32Å; N165-W167 PolarHBondContact O-N 2.8Å; W167-E169 VanDerWaalsContact C-N 3.35Å; W167-E170 PolarHBondContact O-N 3.47Å; W167-K171 HydrophobicContact CD2-CG 4.1Å; W167-K171 HydrophobicContact CH2-CG 4.39Å; W167-K171 HydrophobicContact CZ2-CG 3.8Å; W167-K171 WeakPolarHBondContact O-CB 3.27Å; W167-K171 WeakPolarHBondContact O-CG 3.24Å; W167-K171 PolarHBondContact O-N 3.48Å |
| 168 | V | 91.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.6 | -44.8 | 175.3 | 172.1 | 0 | 0 | 0 | 0 | 111 | I164 N165 E170 K171 T172 I176 M179 V194 A196 | I164-V168 WeakPolarHBondContact O-CG2 3.2Å; I164-V168 PolarHBondContact O-N 3.39Å; N165-V168 PolarHBondContact O-N 2.85Å; V168-E170 VanDerWaalsContact C-N 3.35Å; V168-E170 PolarHBondContact O-N 3.37Å; V168-K171 PolarHBondContact O-N 2.76Å; V168-T172 HydrophobicContact CG1-CG2 4.31Å; V168-T172 WeakPolarHBondContact O-CB 3.3Å; V168-T172 VanDerWaalsContact O-CG2 3.31Å; V168-T172 WeakPolarHBondContact O-CG2 3.34Å; V168-T172 PolarHBondContact O-N 2.97Å; V168-T172 PolarHBondContact O-OG1 3.09Å; V168-I176 HydrophobicContact CG1-CB 4.06Å; V168-I176 HydrophobicContact CG1-CG2 3.76Å; V168-M179 HydrophobicContact CB-CB 4.34Å; V168-M179 HydrophobicContact CG1-CB 4.19Å; V168-M179 HydrophobicContact CG2-CB 4.07Å; V168-M179 HydrophobicContact CG2-CG 4.15Å; V168-V194 HydrophobicContact CG2-CG1 3.53Å; V168-A196 HydrophobicContact CG1-CB 3.52Å |
| 169 | E | 91.8 | Very high | 91.1 | Very high | 56 Ų | 56 | 57.1 Ų | 57.1 | 26% | 0.262 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -61.5 | -44.8 | 179.9 | -171 | 172.9 | 177 | 0 | 0 | 111.1 | N165 N166 W167 T172 Q173 G174 I176 R177 | N165-E169 WeakPolarHBondContact O-CB 3.49Å; N165-E169 PolarHBondContact O-N 3.22Å; N166-E169 PolarHBondContact O-N 3.23Å; W167-E169 VanDerWaalsContact C-N 3.35Å; E169-T172 CarbonylContact O-C 3.49Å; E169-T172 PolarHBondContact O-N 2.94Å; E169-T172 PolarHBondContact O-OG1 3.48Å; E169-Q173 PolarHBondContact O-N 3.16Å; E169-Q173 VanDerWaalsContact O-N 3.08Å; E169-G174 PolarHBondContact O-N 2.98Å; E169-I176 WeakPolarHBondContact CA-O 3.49Å; E169-R177 HydrophobicContact CG-CG 4.05Å; E169-R177 IonicContact OE1-CZ 2.59Å; E169-R177 VanDerWaalsContact OE1-CZ 3.22Å; E169-R177 IonicContact OE1-NE 2.83Å; E169-R177 PolarHBondContact OE1-NE 3.18Å; E169-R177 IonicContact OE1-NH2 2.81Å; E169-R177 PolarHBondContact OE1-NH2 3.49Å; E169-R177 IonicContact OE2-NE 3.27Å |
| 170 | E | 89.7 | Confident | 90.8 | Very high | 138 Ų | 138 | 51.6 Ų | 51.6 | 65% | 0.645 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -60.6 | -50.9 | 176.1 | -172.5 | -166.2 | 142.9 | 0 | 0 | 111.5 | N166 W167 V168 T172 Q173 | N166-E170 WeakPolarHBondContact O-CB 3.2Å; N166-E170 PolarHBondContact O-N 3.46Å; W167-E170 PolarHBondContact O-N 3.47Å; V168-E170 VanDerWaalsContact C-N 3.35Å; V168-E170 PolarHBondContact O-N 3.37Å; E170-T172 PolarHBondContact O-N 3.31Å; E170-Q173 PolarHBondContact O-N 2.6Å; E170-Q173 VanDerWaalsContact O-N 3.11Å |
| 171 | K | 84.6 | Confident | 90.6 | Very high | 97 Ų | 97 | 54.6 Ų | 54.6 | 42% | 0.422 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -67.2 | -20.8 | -178.3 | -67.8 | -58.7 | 179.2 | -164.8 | 0 | 114 | A121 W167 V168 | A121-K171 HydrophobicContact CB-CB 3.63Å; A121-K171 HydrophobicContact CB-CG 4.43Å; W167-K171 HydrophobicContact CD2-CG 4.1Å; W167-K171 HydrophobicContact CH2-CG 4.39Å; W167-K171 HydrophobicContact CZ2-CG 3.8Å; W167-K171 WeakPolarHBondContact O-CB 3.27Å; W167-K171 WeakPolarHBondContact O-CG 3.24Å; W167-K171 PolarHBondContact O-N 3.48Å; V168-K171 PolarHBondContact O-N 2.76Å |
| 172 | T | 81.8 | Confident | 90.3 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.9 | 14.8 | 177 | 64.2 | 0 | 0 | 0 | 0 | 112.4 | A121 V168 E169 E170 G174 K175 I176 A196 | A121-T172 HydrophobicContact CB-CG2 4.1Å; V168-T172 HydrophobicContact CG1-CG2 4.31Å; V168-T172 WeakPolarHBondContact O-CB 3.3Å; V168-T172 VanDerWaalsContact O-CG2 3.31Å; V168-T172 WeakPolarHBondContact O-CG2 3.34Å; V168-T172 PolarHBondContact O-N 2.97Å; V168-T172 PolarHBondContact O-OG1 3.09Å; E169-T172 CarbonylContact O-C 3.49Å; E169-T172 PolarHBondContact O-N 2.94Å; E169-T172 PolarHBondContact O-OG1 3.48Å; E170-T172 PolarHBondContact O-N 3.31Å; T172-G174 PolarHBondContact O-N 3.48Å; T172-K175 VanDerWaalsContact O-CB 3.23Å; T172-K175 WeakPolarHBondContact O-CB 3.44Å; T172-K175 WeakPolarHBondContact O-CG 3.21Å; T172-K175 PolarHBondContact O-N 3.29Å; T172-I176 HydrophobicContact CG2-CB 4.02Å; T172-I176 HydrophobicContact CG2-CD1 4.06Å; T172-I176 HydrophobicContact CG2-CG1 4.17Å; T172-I176 WeakPolarHBondContact OG1-CB 3.34Å; T172-I176 PolarHBondContact OG1-N 3.06Å; T172-I176 VanDerWaalsContact OG1-N 3.09Å; T172-I176 PolarHBondContact OG1-O 3.01Å; T172-A196 HydrophobicContact CG2-CB 4.27Å |
| 173 | Q | 83.9 | Confident | 90 | Very high | 110 Ų | 110 | 61.2 Ų | 61.2 | 51% | 0.514 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53 | 39.2 | 177.7 | -55.3 | 177.9 | -7.1 | 0 | 0 | 113.3 | E169 E170 K175 | E169-Q173 PolarHBondContact O-N 3.16Å; E169-Q173 VanDerWaalsContact O-N 3.08Å; E170-Q173 PolarHBondContact O-N 2.6Å; E170-Q173 VanDerWaalsContact O-N 3.11Å; Q173-K175 VanDerWaalsContact C-N 3.28Å; Q173-K175 PolarHBondContact O-N 2.84Å |
| 174 | G | 86.2 | Confident | 89.7 | Confident | 26 Ų | 26 | 57.8 Ų | 57.8 | 27% | 0.268 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -2.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E169 T172 | E169-G174 PolarHBondContact O-N 2.98Å; T172-G174 PolarHBondContact O-N 3.48Å |
| 175 | K | 84.8 | Confident | 89.6 | Confident | 99 Ų | 99 | 58 Ų | 58 | 43% | 0.43 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -76.2 | -33.2 | -174.4 | -58.8 | -59.7 | -177.9 | -176.2 | 0 | 113.1 | T172 Q173 Y198 | T172-K175 VanDerWaalsContact O-CB 3.23Å; T172-K175 WeakPolarHBondContact O-CB 3.44Å; T172-K175 WeakPolarHBondContact O-CG 3.21Å; T172-K175 PolarHBondContact O-N 3.29Å; Q173-K175 VanDerWaalsContact C-N 3.28Å; Q173-K175 PolarHBondContact O-N 2.84Å; K175-Y198 HydrophobicContact CB-CD2 3.62Å; K175-Y198 HydrophobicContact CB-CE2 4.01Å; K175-Y198 HydrophobicContact CB-CG 3.97Å; K175-Y198 HydrophobicContact CD-CD2 4.44Å; K175-Y198 HydrophobicContact CD-CE2 3.95Å; K175-Y198 HydrophobicContact CG-CD1 4.21Å; K175-Y198 HydrophobicContact CG-CD2 3.83Å; K175-Y198 HydrophobicContact CG-CE1 4.19Å; K175-Y198 HydrophobicContact CG-CE2 3.81Å; K175-Y198 HydrophobicContact CG-CG 4.04Å |
| 176 | I | 85.6 | Confident | 89.6 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.31 | C | S | . | . | S | Bend | trans | -114.8 | 116.7 | 178.1 | -59.7 | -177.9 | 0 | 0 | 0 | 109.2 | V168 E169 T172 M179 A196 I197 K353 | V168-I176 HydrophobicContact CG1-CB 4.06Å; V168-I176 HydrophobicContact CG1-CG2 3.76Å; E169-I176 WeakPolarHBondContact CA-O 3.49Å; T172-I176 HydrophobicContact CG2-CB 4.02Å; T172-I176 HydrophobicContact CG2-CD1 4.06Å; T172-I176 HydrophobicContact CG2-CG1 4.17Å; T172-I176 WeakPolarHBondContact OG1-CB 3.34Å; T172-I176 PolarHBondContact OG1-N 3.06Å; T172-I176 VanDerWaalsContact OG1-N 3.09Å; T172-I176 PolarHBondContact OG1-O 3.01Å; I176-M179 HydrophobicContact CG2-SD 4.47Å; I176-A196 HydrophobicContact CD1-CB 3.9Å; I176-A196 HydrophobicContact CG2-CB 4.12Å; I176-I197 WeakPolarHBondContact CD1-O 3.49Å; I176-K353 HydrophobicContact CG2-CB 4.31Å; I176-K353 HydrophobicContact CG2-CD 3.63Å; I176-K353 HydrophobicContact CG2-CG 3.95Å |
| 177 | R | 89.9 | Confident | 89.6 | Confident | 136 Ų | 136 | 61.4 Ų | 61.4 | 51% | 0.513 | 31% | 0.313 | S | S | . | . | trans | -118.9 | 158.7 | 178 | -65.5 | 179 | 169.9 | 169.6 | -2.9 | 111 | E169 M179 K353 | E169-R177 HydrophobicContact CG-CG 4.05Å; E169-R177 IonicContact OE1-CZ 2.59Å; E169-R177 VanDerWaalsContact OE1-CZ 3.22Å; E169-R177 IonicContact OE1-NE 2.83Å; E169-R177 PolarHBondContact OE1-NE 3.18Å; E169-R177 IonicContact OE1-NH2 2.81Å; E169-R177 PolarHBondContact OE1-NH2 3.49Å; E169-R177 IonicContact OE2-NE 3.27Å; R177-M179 PolarHBondContact O-N 3.22Å; R177-K353 PolarHBondContact O-NZ 3.14Å | ||
| 178 | N | 88.8 | Confident | 89.7 | Confident | 105 Ų | 105 | 66.3 Ų | 66.3 | 56% | 0.561 | 34% | 0.338 | S | S | * | . | trans | 52 | 43.3 | 172.5 | -59.7 | -46.2 | 0 | 0 | 0 | 113 | N165 V180 | N165-N178 VanDerWaalsContact OD1-C 3.3Å; N165-N178 WeakPolarHBondContact OD1-CA 3.48Å; N178-V180 VanDerWaalsContact C-N 3.32Å; N178-V180 PolarHBondContact O-N 3.02Å | ||
| 179 | M | 90.2 | Very high | 90 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -52.2 | -49.8 | 175 | -174.1 | 69 | -166.3 | 0 | 0 | 111.7 | N165 V168 I176 R177 V194 N195 A196 K313 S351 H352 K353 | N165-M179 WeakPolarHBondContact OD1-CA 3.38Å; N165-M179 PolarHBondContact OD1-N 3.44Å; V168-M179 HydrophobicContact CB-CB 4.34Å; V168-M179 HydrophobicContact CG1-CB 4.19Å; V168-M179 HydrophobicContact CG2-CB 4.07Å; V168-M179 HydrophobicContact CG2-CG 4.15Å; I176-M179 HydrophobicContact CG2-SD 4.47Å; R177-M179 PolarHBondContact O-N 3.22Å; M179-V194 HydrophobicContact CE-CG1 4.16Å; M179-V194 HydrophobicContact CG-CG1 3.71Å; M179-V194 HydrophobicContact SD-CG1 4.42Å; M179-N195 VanDerWaalsContact CE-O 3.31Å; M179-N195 WeakPolarHBondContact CE-O 3.4Å; M179-A196 HydrophobicContact SD-CB 4.11Å; M179-K313 WeakPolarHBondContact O-CE 3.13Å; M179-K313 PolarHBondContact O-NZ 3.46Å; M179-S351 VanDerWaalsContact CE-CB 3.48Å; M179-S351 WeakPolarHBondContact CE-O 2.87Å; M179-H352 VanDerWaalsContact CE-C 3.49Å; M179-K353 HydrophobicContact CE-CB 3.75Å; M179-K353 HydrophobicContact SD-CB 3.33Å; M179-K353 WeakPolarHBondContact SD-CB 3.43Å; M179-K353 HydrophobicContact SD-CD 4.19Å; M179-K353 HydrophobicContact SD-CG 4.35Å |
| 180 | V | 91.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -109.1 | 107.5 | 178 | -173 | 0 | 0 | 0 | 0 | 108.7 | R161 I164 N165 N178 M184 V185 V194 | R161-V180 HydrophobicContact CG-CB 4.07Å; R161-V180 HydrophobicContact CG-CG1 3.8Å; R161-V180 WeakPolarHBondContact CG-O 3.23Å; R161-V180 PolarHBondContact NH1-O 2.85Å; I164-V180 HydrophobicContact CG2-CG2 3.72Å; N165-V180 PolarHBondContact ND2-O 3.08Å; N165-V180 PolarHBondContact OD1-N 3.5Å; N178-V180 VanDerWaalsContact C-N 3.32Å; N178-V180 PolarHBondContact O-N 3.02Å; V180-M184 HydrophobicContact CG1-CB 3.71Å; V180-M184 HydrophobicContact CG1-SD 4.18Å; V180-V185 HydrophobicContact CG1-CG1 3.86Å; V180-V185 HydrophobicContact CG1-CG2 4.1Å; V180-V194 HydrophobicContact CG2-CG2 4.45Å |
| 181 | V | 91.8 | Very high | 90.5 | Very high | 67 Ų | 67 | 59.1 Ų | 59.1 | 41% | 0.406 | 31% | 0.305 | S | S | . | . | trans | -80.9 | 164.3 | -180 | -61.3 | 0 | 0 | 0 | 0 | 110.9 | R161 G183 M184 | R161-V181 WeakPolarHBondContact CD-O 3.37Å; V181-G183 PolarHBondContact O-N 3.39Å; V181-M184 HydrophobicContact CB-SD 4.34Å; V181-M184 HydrophobicContact CG2-CG 3.62Å; V181-M184 HydrophobicContact CG2-SD 3.6Å; V181-M184 VanDerWaalsContact CG2-SD 3.6Å; V181-M184 PolarHBondContact N-SD 2.78Å; V181-M184 WeakPolarHBondContact O-CB 3.38Å; V181-M184 PolarHBondContact O-N 3.43Å | ||
| 182 | K | 92.1 | Very high | 91.1 | Very high | 163 Ų | 163 | 54.5 Ų | 54.5 | 71% | 0.709 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | 136.5 | 177.2 | -68.4 | -176.1 | 177.7 | -177.6 | 0 | 110.2 | M184 | K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 3.47Å |
| 183 | G | 89.9 | Confident | 91.8 | Very high | 64 Ų | 64 | 54.6 Ų | 54.6 | 66% | 0.66 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -11.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | V181 | V181-G183 PolarHBondContact O-N 3.39Š|
| 184 | M | 89.8 | Confident | 92.3 | Very high | 25 Ų | 25 | 49.3 Ų | 49.3 | 12% | 0.123 | 26% | 0.26 | C | S | . | . | S | Bend | trans | -68.4 | -34.3 | 175.1 | -81.8 | -177.2 | 128.5 | 0 | 0 | 113.1 | V180 V181 K182 K313 E315 Q349 | V180-M184 HydrophobicContact CG1-CB 3.71Å; V180-M184 HydrophobicContact CG1-SD 4.18Å; V181-M184 HydrophobicContact CB-SD 4.34Å; V181-M184 HydrophobicContact CG2-CG 3.62Å; V181-M184 HydrophobicContact CG2-SD 3.6Å; V181-M184 VanDerWaalsContact CG2-SD 3.6Å; V181-M184 PolarHBondContact N-SD 2.78Å; V181-M184 WeakPolarHBondContact O-CB 3.38Å; V181-M184 PolarHBondContact O-N 3.43Å; K182-M184 VanDerWaalsContact C-N 3.32Å; K182-M184 PolarHBondContact O-N 3.47Å; M184-K313 PolarHBondContact SD-NZ 3.45Å; M184-E315 HydrophobicContact CE-CG 3.24Å; M184-E315 WeakPolarHBondContact CE-OE1 3.3Å; M184-Q349 PolarHBondContact O-OE1 3.34Å |
| 185 | V | 94.1 | Very high | 92.6 | Very high | 5 Ų | 5 | 48.2 Ų | 48.2 | 3% | 0.03 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -115.5 | 149.4 | 175 | -66 | 0 | 0 | 0 | 0 | 109.4 | F153 C157 R161 V180 T189 V192 | F153-V185 HydrophobicContact CD1-CB 4.3Å; F153-V185 HydrophobicContact CE1-CB 4.24Å; F153-V185 HydrophobicContact CE1-CG1 4.12Å; C157-V185 VanDerWaalsContact SG-C 3.52Å; R161-V185 HydrophobicContact CB-CG2 3.82Å; R161-V185 HydrophobicContact CG-CG2 3.97Å; V180-V185 HydrophobicContact CG1-CG1 3.86Å; V180-V185 HydrophobicContact CG1-CG2 4.1Å; V185-T189 HydrophobicContact CB-CG2 4.39Å; V185-T189 HydrophobicContact CG1-CG2 4.16Å; V185-V192 HydrophobicContact CG1-CG2 3.83Å |
| 186 | N | 95.3 | Very high | 92.8 | Very high | 70 Ų | 70 | 43.5 Ų | 43.5 | 37% | 0.374 | 23% | 0.228 | S | C | . | . | trans | -144.1 | -175.8 | 179.7 | 63 | 44.8 | 0 | 0 | 0 | 111.1 | C157 M188 T189 | C157-N186 WeakPolarHBondContact SG-CA 3.14Å; C157-N186 PolarHBondContact SG-N 2.97Å; N186-M188 PolarHBondContact O-N 3.06Å; N186-M188 WeakPolarHBondContact OD1-CA 3.43Å; N186-M188 VanDerWaalsContact OD1-CB 3.32Å; N186-M188 WeakPolarHBondContact OD1-CB 3.45Å; N186-M188 PolarHBondContact OD1-N 3.39Å; N186-T189 PolarHBondContact N-OG1 3.45Å; N186-T189 VanDerWaalsContact O-CB 3.26Å; N186-T189 WeakPolarHBondContact O-CB 3.34Å; N186-T189 PolarHBondContact O-N 3.34Å; N186-T189 VanDerWaalsContact O-N 3.14Å; N186-T189 PolarHBondContact O-OG1 3.1Å; N186-T189 PolarHBondContact OD1-N 3.33Å | ||
| 187 | N | 95.8 | Very high | 92.9 | Very high | 103 Ų | 103 | 43.6 Ų | 43.6 | 55% | 0.551 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.1 | -9.1 | -179 | 63.9 | -6.8 | 0 | 0 | 0 | 114.7 | F153 R154 | F153-N187 WeakPolarHBondContact O-CA 3.21Å; R154-N187 WeakPolarHBondContact O-CB 3.4Å |
| 188 | M | 95.2 | Very high | 92.7 | Very high | 127 Ų | 127 | 37.5 Ų | 37.5 | 63% | 0.626 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -96 | -9.5 | 173.4 | -57.3 | -175.5 | -69.8 | 0 | 0 | 112.4 | N186 K190 | N186-M188 PolarHBondContact O-N 3.06Å; N186-M188 WeakPolarHBondContact OD1-CA 3.43Å; N186-M188 VanDerWaalsContact OD1-CB 3.32Å; N186-M188 WeakPolarHBondContact OD1-CB 3.45Å; N186-M188 PolarHBondContact OD1-N 3.39Å; M188-K190 WeakPolarHBondContact O-CD 3.36Å; M188-K190 WeakPolarHBondContact O-CE 3.34Å; M188-K190 PolarHBondContact O-N 2.93Å |
| 189 | T | 97 | Very high | 92.5 | Very high | 8 Ų | 8 | 32.5 Ų | 32.5 | 5% | 0.049 | 18% | 0.179 | C | C | . | . | trans | -58.9 | 127.4 | 176.8 | -60.8 | 0 | 0 | 0 | 0 | 110.7 | F153 V185 N186 V192 | F153-T189 WeakPolarHBondContact CB-O 3.27Å; F153-T189 HydrophobicContact CD1-CG2 3.97Å; F153-T189 HydrophobicContact CD2-CG2 3.79Å; F153-T189 HydrophobicContact CE1-CG2 4.02Å; F153-T189 HydrophobicContact CE2-CG2 3.83Å; F153-T189 HydrophobicContact CG-CG2 3.86Å; F153-T189 HydrophobicContact CZ-CG2 3.95Å; V185-T189 HydrophobicContact CB-CG2 4.39Å; V185-T189 HydrophobicContact CG1-CG2 4.16Å; N186-T189 PolarHBondContact N-OG1 3.45Å; N186-T189 VanDerWaalsContact O-CB 3.26Å; N186-T189 WeakPolarHBondContact O-CB 3.34Å; N186-T189 PolarHBondContact O-N 3.34Å; N186-T189 VanDerWaalsContact O-N 3.14Å; N186-T189 PolarHBondContact O-OG1 3.1Å; N186-T189 PolarHBondContact OD1-N 3.33Å; T189-V192 HydrophobicContact CG2-CG2 3.46Å; T189-V192 VanDerWaalsContact CG2-CG2 3.46Å | ||
| 190 | K | 96.3 | Very high | 92.2 | Very high | 37 Ų | 37 | 34.8 Ų | 34.8 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | trans | -105.5 | -44.5 | -179.5 | -53.2 | -53.8 | -170.3 | 162.5 | 0 | 112.2 | G126 E127 Y130 M188 L345 F346 S348 | G126-K190 CarbonylContact C-O 3.53Å; E127-K190 PolarHBondContact N-O 2.83Å; Y130-K190 HydrophobicContact CE2-CD 4.01Å; Y130-K190 WeakPolarHBondContact OH-CD 3.37Å; Y130-K190 PolarHBondContact OH-NZ 3.5Å; M188-K190 WeakPolarHBondContact O-CD 3.36Å; M188-K190 WeakPolarHBondContact O-CE 3.34Å; M188-K190 PolarHBondContact O-N 2.93Å; K190-L345 HydrophobicContact CB-CD1 4.29Å; K190-F346 HydrophobicContact CB-CD1 4.26Å; K190-F346 HydrophobicContact CB-CE1 4.25Å; K190-F346 HydrophobicContact CG-CD1 3.72Å; K190-F346 HydrophobicContact CG-CE1 3.36Å; K190-F346 HydrophobicContact CG-CZ 4.07Å; K190-S348 PolarHBondContact N-OG 3.34Å | ||
| 191 | M | 96.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 136.3 | -179.3 | -170.7 | 166.3 | 60.6 | 0 | 0 | 111.1 | L124 F125 L148 F336 M339 L345 F346 L347 S348 Q349 | L124-M191 HydrophobicContact CD2-CG 4.03Å; L124-M191 HydrophobicContact CD2-SD 3.97Å; F125-M191 CarbonylContact O-C 3.38Å; F125-M191 VanDerWaalsContact O-CA 3.29Å; F125-M191 WeakPolarHBondContact O-CA 3.33Å; L148-M191 HydrophobicContact CD1-SD 4.39Å; M191-F336 HydrophobicContact CE-CD1 4.3Å; M191-F336 HydrophobicContact CE-CD2 4.25Å; M191-F336 HydrophobicContact CE-CE1 4.22Å; M191-F336 HydrophobicContact CE-CE2 4.15Å; M191-F336 HydrophobicContact CE-CG 4.29Å; M191-F336 HydrophobicContact CE-CZ 4.13Å; M191-M339 HydrophobicContact CE-CE 4.34Å; M191-M339 HydrophobicContact CE-SD 3.83Å; M191-M339 HydrophobicContact SD-CE 4.46Å; M191-M339 HydrophobicContact SD-SD 3.58Å; M191-L345 HydrophobicContact CB-CD1 4.08Å; M191-L345 HydrophobicContact SD-CD1 4.45Å; M191-L345 HydrophobicContact SD-CD2 4.47Å; M191-L345 HydrophobicContact SD-CG 4.48Å; M191-F346 WeakPolarHBondContact CB-O 3.17Å; M191-L347 HydrophobicContact CE-CB 4.16Å; M191-L347 HydrophobicContact CE-CD1 4.05Å; M191-L347 HydrophobicContact CG-CD1 4.26Å; M191-S348 PolarHBondContact N-OG 3.5Å; M191-S348 WeakPolarHBondContact O-CA 3.29Å; M191-S348 WeakPolarHBondContact O-CB 3.43Å; M191-S348 PolarHBondContact O-N 2.84Å; M191-Q349 PolarHBondContact O-N 2.83Å |
| 192 | V | 96.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.9 | 176.8 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | L124 F125 F153 V185 T189 V194 Q349 | L124-V192 WeakPolarHBondContact CA-O 3.33Å; F125-V192 PolarHBondContact N-O 3.28Å; F125-V192 PolarHBondContact O-N 3.37Å; F153-V192 HydrophobicContact CE1-CG2 4.31Å; F153-V192 HydrophobicContact CE2-CG2 4.33Å; F153-V192 HydrophobicContact CZ-CB 4.36Å; F153-V192 HydrophobicContact CZ-CG2 3.74Å; V185-V192 HydrophobicContact CG1-CG2 3.83Å; T189-V192 HydrophobicContact CG2-CG2 3.46Å; T189-V192 VanDerWaalsContact CG2-CG2 3.46Å; V192-V194 HydrophobicContact CG1-CG2 3.84Å; V192-Q349 CarbonylContact C-O 3.57Å; V192-Q349 WeakPolarHBondContact CA-O 3.3Å; V192-Q349 HydrophobicContact CG1-CB 4.22Å; V192-Q349 HydrophobicContact CG2-CB 4.27Å |
| 193 | L | 96.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 121.1 | 168 | -178.9 | 63.9 | 0 | 0 | 0 | 109.2 | A66 L67 L124 L347 Q349 V350 S351 | A66-L193 HydrophobicContact CB-CD1 3.96Å; A66-L193 HydrophobicContact CB-CD2 3.91Å; A66-L193 HydrophobicContact CB-CG 4.16Å; A66-L193 WeakPolarHBondContact O-CD2 3.15Å; L67-L193 HydrophobicContact CD2-CD2 3.82Å; L67-L193 HydrophobicContact CG-CD2 4.41Å; L124-L193 HydrophobicContact CD2-CB 3.84Å; L124-L193 HydrophobicContact CD2-CD1 3.58Å; L124-L193 HydrophobicContact CD2-CG 4.27Å; L124-L193 HydrophobicContact CG-CD1 3.77Å; L193-L347 HydrophobicContact CB-CD1 3.82Å; L193-Q349 PolarHBondContact N-O 2.84Å; L193-V350 HydrophobicContact CB-CG1 4.48Å; L193-V350 HydrophobicContact CB-CG2 4.19Å; L193-V350 HydrophobicContact CD2-CG1 4.13Å; L193-V350 HydrophobicContact CD2-CG2 4.31Å; L193-V350 WeakPolarHBondContact O-CA 3.31Å; L193-S351 PolarHBondContact O-N 3.41Å |
| 194 | V | 93.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126 | 177.8 | 175.5 | 0 | 0 | 0 | 0 | 109.4 | N122 R123 F125 I164 V168 M179 V180 V192 | N122-V194 WeakPolarHBondContact CA-O 3.48Å; R123-V194 PolarHBondContact N-O 3.14Å; R123-V194 PolarHBondContact O-N 3.34Å; F125-V194 HydrophobicContact CD2-CG2 4.04Å; F125-V194 HydrophobicContact CE2-CB 4.24Å; F125-V194 HydrophobicContact CE2-CG2 4.08Å; I164-V194 HydrophobicContact CG2-CG2 3.76Å; V168-V194 HydrophobicContact CG2-CG1 3.53Å; M179-V194 HydrophobicContact CE-CG1 4.16Å; M179-V194 HydrophobicContact CG-CG1 3.71Å; M179-V194 HydrophobicContact SD-CG1 4.42Å; V180-V194 HydrophobicContact CG2-CG2 4.45Å; V192-V194 HydrophobicContact CG1-CG2 3.84Å |
| 195 | N | 92.8 | Very high | 91.9 | Very high | 2 Ų | 2 | 26.5 Ų | 26.5 | 1% | 0.011 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 107.4 | 174.8 | -167.5 | -71.5 | 0 | 0 | 0 | 109.9 | S62 A66 N122 M179 S351 H352 K353 | S62-N195 WeakPolarHBondContact CB-ND2 3.34Å; S62-N195 VanDerWaalsContact CB-OD1 3.28Å; S62-N195 WeakPolarHBondContact CB-OD1 3.29Å; S62-N195 PolarHBondContact O-ND2 3.49Å; S62-N195 PolarHBondContact OG-ND2 2.93Å; S62-N195 PolarHBondContact OG-OD1 3.18Å; A66-N195 HydrophobicContact CB-CB 4.49Å; A66-N195 WeakPolarHBondContact CB-ND2 3.37Å; N122-N195 VanDerWaalsContact CG-ND2 3.29Å; N122-N195 PolarHBondContact ND2-ND2 2.88Å; N122-N195 VanDerWaalsContact OD1-CG 3.3Å; N122-N195 PolarHBondContact OD1-ND2 3.4Å; M179-N195 VanDerWaalsContact CE-O 3.31Å; M179-N195 WeakPolarHBondContact CE-O 3.4Å; N195-S351 PolarHBondContact N-O 3.27Å; N195-H352 VanDerWaalsContact CG-ND1 3.35Å; N195-H352 CarbonylContact O-C 3.55Å; N195-H352 VanDerWaalsContact O-CA 3.3Å; N195-H352 WeakPolarHBondContact O-CA 3.3Å; N195-H352 PolarHBondContact OD1-CE1 2.79Å; N195-H352 PolarHBondContact OD1-ND1 2.79Å; N195-K353 PolarHBondContact O-N 2.95Å |
| 196 | A | 88.9 | Confident | 91.8 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 130.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110 | A121 V168 T172 I176 M179 K353 | A121-A196 HydrophobicContact CB-CB 4.2Å; A121-A196 PolarHBondContact N-O 3.31Å; A121-A196 PolarHBondContact O-N 2.6Å; V168-A196 HydrophobicContact CG1-CB 3.52Å; T172-A196 HydrophobicContact CG2-CB 4.27Å; I176-A196 HydrophobicContact CD1-CB 3.9Å; I176-A196 HydrophobicContact CG2-CB 4.12Å; M179-A196 HydrophobicContact SD-CB 4.11Å; A196-K353 WeakPolarHBondContact CA-O 3.48Å |
| 197 | I | 87.3 | Confident | 91.7 | Very high | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.015 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 129.3 | -174.7 | -170 | 170 | 0 | 0 | 0 | 113.1 | S59 L118 S119 V120 I176 K353 A354 F355 F400 | S59-I197 WeakPolarHBondContact OG-CD1 3.02Å; L118-I197 HydrophobicContact CD1-CD1 3.91Å; L118-I197 HydrophobicContact CD1-CG1 3.9Å; S119-I197 CarbonylContact O-C 3.52Å; S119-I197 VanDerWaalsContact O-CA 3.25Å; S119-I197 WeakPolarHBondContact O-CA 3.26Å; V120-I197 HydrophobicContact CG2-CD1 3.75Å; V120-I197 HydrophobicContact CG2-CG1 3.97Å; I176-I197 WeakPolarHBondContact CD1-O 3.49Å; I197-K353 PolarHBondContact N-O 3.36Å; I197-A354 HydrophobicContact CG2-CB 3.78Å; I197-A354 CarbonylContact O-C 3.6Å; I197-A354 WeakPolarHBondContact O-CA 3.17Å; I197-F355 PolarHBondContact O-N 2.78Å; I197-F400 HydrophobicContact CB-CE1 4.39Å; I197-F400 HydrophobicContact CD1-CE1 3.61Å; I197-F400 HydrophobicContact CD1-CE2 4.31Å; I197-F400 HydrophobicContact CD1-CZ 3.37Å; I197-F400 HydrophobicContact CG1-CE1 3.7Å; I197-F400 HydrophobicContact CG1-CZ 3.57Å; I197-F400 HydrophobicContact CG2-CE1 3.9Å |
| 198 | Y | 85.5 | Confident | 91.4 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 134.8 | 178.2 | 171.1 | -96.2 | 0 | 0 | 0 | 109.8 | V117 L118 S119 K175 K200 F355 | V117-Y198 HydrophobicContact CB-CE1 4.24Å; V117-Y198 HydrophobicContact CG1-CD1 4.05Å; V117-Y198 HydrophobicContact CG1-CE1 3.81Å; L118-Y198 CarbonylContact C-O 3.54Å; L118-Y198 WeakPolarHBondContact CA-O 3.35Å; L118-Y198 WeakPolarHBondContact CD1-O 3.44Å; S119-Y198 PolarHBondContact N-O 3.25Å; S119-Y198 PolarHBondContact O-N 3.49Å; K175-Y198 HydrophobicContact CB-CD2 3.62Å; K175-Y198 HydrophobicContact CB-CE2 4.01Å; K175-Y198 HydrophobicContact CB-CG 3.97Å; K175-Y198 HydrophobicContact CD-CD2 4.44Å; K175-Y198 HydrophobicContact CD-CE2 3.95Å; K175-Y198 HydrophobicContact CG-CD1 4.21Å; K175-Y198 HydrophobicContact CG-CD2 3.83Å; K175-Y198 HydrophobicContact CG-CE1 4.19Å; K175-Y198 HydrophobicContact CG-CE2 3.81Å; K175-Y198 HydrophobicContact CG-CG 4.04Å; Y198-K200 HydrophobicContact CE1-CB 3.77Å; Y198-K200 VanDerWaalsContact OH-CB 3.32Å; Y198-K200 WeakPolarHBondContact OH-CB 3.44Å; Y198-K200 WeakPolarHBondContact OH-CD 3.45Å; Y198-F355 HydrophobicContact CD2-CB 3.96Å; Y198-F355 AromaticContact CD2-CD1 3.23Å; Y198-F355 HydrophobicContact CD2-CD1 3.23Å; Y198-F355 AromaticContact CD2-CE1 3.83Å; Y198-F355 HydrophobicContact CD2-CE1 3.83Å; Y198-F355 AromaticContact CD2-CG 3.74Å; Y198-F355 HydrophobicContact CD2-CG 3.74Å; Y198-F355 AromaticContact CE2-CD1 3.25Å; Y198-F355 HydrophobicContact CE2-CD1 3.25Å; Y198-F355 AromaticContact CE2-CE1 3.33Å; Y198-F355 HydrophobicContact CE2-CE1 3.33Å; Y198-F355 HydrophobicContact CE2-CG 4.13Å; Y198-F355 HydrophobicContact CE2-CZ 4.19Å; Y198-F355 HydrophobicContact CG-CD1 4.46Å |
| 199 | F | 85.3 | Confident | 91.3 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 129.3 | 172.1 | 179 | -90.7 | 0 | 0 | 0 | 111.5 | C116 V117 L118 Y253 L258 F355 V356 E357 I390 F400 | C116-F199 WeakPolarHBondContact SG-CE2 3.41Å; V117-F199 WeakPolarHBondContact O-CA 3.34Å; L118-F199 HydrophobicContact CD1-CB 4.49Å; L118-F199 HydrophobicContact CD1-CD2 4.34Å; F199-Y253 AromaticContact CE1-CE1 3.8Å; F199-Y253 HydrophobicContact CE1-CE1 3.8Å; F199-Y253 HydrophobicContact CE1-CE2 4.17Å; F199-Y253 AromaticContact CE1-CZ 3.55Å; F199-Y253 WeakPolarHBondContact CE1-OH 3.37Å; F199-Y253 HydrophobicContact CZ-CD1 4.21Å; F199-Y253 HydrophobicContact CZ-CD2 4.24Å; F199-Y253 AromaticContact CZ-CE1 3.83Å; F199-Y253 HydrophobicContact CZ-CE1 3.83Å; F199-Y253 AromaticContact CZ-CE2 3.86Å; F199-Y253 HydrophobicContact CZ-CE2 3.86Å; F199-Y253 HydrophobicContact CZ-CG 4.4Å; F199-Y253 AromaticContact CZ-CZ 3.64Å; F199-L258 HydrophobicContact CE2-CD1 3.76Å; F199-L258 HydrophobicContact CZ-CD1 4.41Å; F199-F355 PolarHBondContact N-O 3.05Å; F199-V356 HydrophobicContact CD1-CG2 4.14Å; F199-E357 PolarHBondContact O-N 2.8Å; F199-I390 HydrophobicContact CD1-CD1 3.6Å; F199-I390 HydrophobicContact CE1-CD1 3.57Å; F199-I390 HydrophobicContact CE2-CG2 4.24Å; F199-I390 HydrophobicContact CG-CD1 4.22Å; F199-I390 HydrophobicContact CZ-CD1 4.14Å; F199-I390 HydrophobicContact CZ-CG2 4.11Å; F199-F400 HydrophobicContact CB-CD2 4.39Å; F199-F400 HydrophobicContact CB-CE1 4.11Å; F199-F400 HydrophobicContact CB-CE2 3.67Å; F199-F400 HydrophobicContact CB-CZ 3.49Å; F199-F400 VanDerWaalsContact CB-CZ 3.49Å; F199-F400 HydrophobicContact CD2-CD2 4.47Å; F199-F400 AromaticContact CD2-CE2 3.79Å; F199-F400 HydrophobicContact CD2-CE2 3.79Å; F199-F400 HydrophobicContact CD2-CZ 4.4Å; F199-F400 HydrophobicContact CG-CD2 4.43Å; F199-F400 AromaticContact CG-CE2 3.9Å; F199-F400 HydrophobicContact CG-CE2 3.9Å; F199-F400 HydrophobicContact CG-CZ 4.24Å |
| 200 | K | 83.8 | Confident | 91.1 | Very high | 48 Ų | 48 | 30 Ų | 30 | 21% | 0.209 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 109.3 | 163.9 | -177.6 | 175.5 | 178.6 | 176.8 | 0 | 108.7 | V117 Y198 E357 E361 | V117-K200 PolarHBondContact N-O 2.8Å; V117-K200 PolarHBondContact O-N 3.02Å; Y198-K200 HydrophobicContact CE1-CB 3.77Å; Y198-K200 VanDerWaalsContact OH-CB 3.32Å; Y198-K200 WeakPolarHBondContact OH-CB 3.44Å; Y198-K200 WeakPolarHBondContact OH-CD 3.45Å; K200-E357 IonicContact NZ-OE1 3.74Å; K200-E361 WeakPolarHBondContact CE-OE2 3.42Å; K200-E361 IonicContact NZ-OE1 3.62Å; K200-E361 IonicContact NZ-OE2 2.91Å; K200-E361 PolarHBondContact NZ-OE2 2.97Å |
| 201 | G | 83.4 | Confident | 91 | Very high | 6 Ų | 6 | 30.7 Ų | 30.7 | 6% | 0.062 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 146.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 202 | K | 89.4 | Confident | 91 | Very high | 72 Ų | 72 | 31.6 Ų | 31.6 | 31% | 0.313 | 16% | 0.162 | S | C | . | . | trans | -87.6 | 134.2 | 167.6 | -72.4 | 174.7 | -177.7 | 169 | 0 | 109.4 | K115 Y253 E254 E361 | K115-K202 PolarHBondContact O-N 3.44Å; K202-Y253 CarbonylContact O-C 3.59Å; K202-Y253 WeakPolarHBondContact O-CA 3.44Å; K202-Y253 WeakPolarHBondContact O-CB 3.13Å; K202-Y253 WeakPolarHBondContact O-CD1 3.42Å; K202-E254 HydrophobicContact CB-CB 4.18Å; K202-E254 VanDerWaalsContact CD-OE2 3.3Å; K202-E254 WeakPolarHBondContact CD-OE2 3.41Å; K202-E254 PolarHBondContact O-N 3.19Å; K202-E361 WeakPolarHBondContact CA-O 3.47Å | ||
| 203 | W | 92.6 | Very high | 91 | Very high | 2 Ų | 2 | 39.8 Ų | 39.8 | 1% | 0.008 | 19% | 0.192 | C | C | . | . | B | Isolated β-bridge | trans | -63.8 | 147.8 | 174.6 | -60 | 113.7 | 0 | 0 | 0 | 111.9 | V205 F207 I251 Y253 M260 L305 V358 N359 E361 G362 T363 | W203-V205 WeakPolarHBondContact CB-O 3.3Å; W203-V205 PolarHBondContact O-N 2.97Å; W203-F207 AromaticContact CD1-CD2 3.61Å; W203-F207 AromaticContact CD1-CE2 3.8Å; W203-F207 HydrophobicContact CD2-CE2 4.17Å; W203-F207 AromaticContact CE2-CE2 3.8Å; W203-F207 HydrophobicContact CG-CD2 4.26Å; W203-F207 HydrophobicContact CG-CE2 4.15Å; W203-F207 HydrophobicContact CZ2-CE2 4.35Å; W203-F207 AromaticContact NE1-CD2 3.64Å; W203-F207 AromaticContact NE1-CE2 3.56Å; W203-I251 HydrophobicContact CD2-CG2 4.26Å; W203-I251 HydrophobicContact CE3-CB 4.32Å; W203-I251 HydrophobicContact CE3-CG2 3.48Å; W203-I251 VanDerWaalsContact CE3-CG2 3.48Å; W203-I251 HydrophobicContact CH2-CG2 4.34Å; W203-I251 HydrophobicContact CZ3-CB 3.89Å; W203-I251 HydrophobicContact CZ3-CG2 3.54Å; W203-Y253 HydrophobicContact CD2-CD1 4.47Å; W203-Y253 HydrophobicContact CD2-CE1 4.25Å; W203-Y253 AromaticContact CE3-CD1 3.92Å; W203-Y253 HydrophobicContact CE3-CD1 3.92Å; W203-Y253 AromaticContact CE3-CE1 3.78Å; W203-Y253 HydrophobicContact CE3-CE1 3.78Å; W203-Y253 HydrophobicContact CE3-CG 4.41Å; W203-Y253 HydrophobicContact CH2-CE1 4.03Å; W203-Y253 AromaticContact CH2-CZ 3.82Å; W203-Y253 HydrophobicContact CZ2-CE1 4.45Å; W203-Y253 HydrophobicContact CZ3-CD1 4.16Å; W203-Y253 HydrophobicContact CZ3-CD2 4.44Å; W203-Y253 AromaticContact CZ3-CE1 3.66Å; W203-Y253 HydrophobicContact CZ3-CE1 3.66Å; W203-Y253 AromaticContact CZ3-CE2 3.97Å; W203-Y253 HydrophobicContact CZ3-CE2 3.97Å; W203-Y253 AromaticContact CZ3-CZ 3.55Å; W203-M260 HydrophobicContact CH2-CB 4Å; W203-M260 HydrophobicContact CH2-CE 4Å; W203-M260 HydrophobicContact CH2-SD 3.92Å; W203-M260 HydrophobicContact CZ3-CB 3.98Å; W203-L305 HydrophobicContact CH2-CD2 4.44Å; W203-L305 HydrophobicContact CZ2-CD2 4.15Å; W203-V358 HydrophobicContact CZ2-CG1 3.98Å; W203-N359 PolarHBondContact NE1-O 3.47Å; W203-E361 PolarHBondContact N-O 2.86Å; W203-G362 CarbonylContact O-C 3.51Å; W203-G362 WeakPolarHBondContact O-CA 3.49Å; W203-T363 PolarHBondContact O-N 2.85Å; W203-T363 VanDerWaalsContact O-N 3.08Å |
| 204 | S | 90.9 | Very high | 91.1 | Very high | 28 Ų | 28 | 45.9 Ų | 45.9 | 20% | 0.196 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -62.8 | -29.8 | 171.5 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | P252 Y253 | S204-P252 WeakPolarHBondContact CB-O 3.5Å; S204-P252 PolarHBondContact N-O 3.18Å; S204-Y253 WeakPolarHBondContact CB-O 3.26Å |
| 205 | V | 91.7 | Very high | 91.3 | Very high | 36 Ų | 36 | 48.5 Ų | 48.5 | 22% | 0.218 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -130.8 | 116.1 | 171.4 | -176.4 | 0 | 0 | 0 | 0 | 106.8 | W203 L232 | W203-V205 WeakPolarHBondContact CB-O 3.3Å; W203-V205 PolarHBondContact O-N 2.97Å; V205-L232 HydrophobicContact CB-CD2 4.17Å; V205-L232 HydrophobicContact CG1-CD1 3.87Å; V205-L232 HydrophobicContact CG1-CD2 4.02Å; V205-L232 WeakPolarHBondContact O-CD2 3.42Å |
| 206 | P | 92.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 53.1 Ų | 53.1 | 20% | 0.201 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -68.5 | 151.3 | -176.6 | 24.7 | -32.4 | 0 | 0 | 0 | 112 | E360 T363 | P206-E360 WeakPolarHBondContact CB-O 3.24Å; P206-T363 WeakPolarHBondContact CD-O 3.45Å |
| 207 | F | 93.4 | Very high | 92.1 | Very high | 5 Ų | 5 | 53.1 Ų | 53.1 | 2% | 0.022 | 26% | 0.258 | C | S | . | . | P | Polyproline II helix | trans | -76.6 | 141.9 | 164 | -65.5 | -102.8 | 0 | 0 | 0 | 108.6 | W203 R209 M230 L232 V303 L305 E360 | W203-F207 AromaticContact CD1-CD2 3.61Å; W203-F207 AromaticContact CD1-CE2 3.8Å; W203-F207 HydrophobicContact CD2-CE2 4.17Å; W203-F207 AromaticContact CE2-CE2 3.8Å; W203-F207 HydrophobicContact CG-CD2 4.26Å; W203-F207 HydrophobicContact CG-CE2 4.15Å; W203-F207 HydrophobicContact CZ2-CE2 4.35Å; W203-F207 AromaticContact NE1-CD2 3.64Å; W203-F207 AromaticContact NE1-CE2 3.56Å; F207-R209 PolarHBondContact O-N 3.09Å; F207-M230 HydrophobicContact CB-CB 4.08Å; F207-M230 HydrophobicContact CD1-CB 3.51Å; F207-M230 HydrophobicContact CD2-CE 4.23Å; F207-M230 HydrophobicContact CE1-CB 4.09Å; F207-M230 HydrophobicContact CE2-CE 4.23Å; F207-M230 HydrophobicContact CG-CB 3.85Å; F207-M230 HydrophobicContact CG-CE 4.47Å; F207-M230 HydrophobicContact CG-SD 4.44Å; F207-M230 HydrophobicContact CZ-CE 4.45Å; F207-L232 HydrophobicContact CD1-CB 3.42Å; F207-L232 VanDerWaalsContact CD1-CB 3.42Å; F207-L232 HydrophobicContact CD2-CD2 4.48Å; F207-L232 HydrophobicContact CE1-CB 3.58Å; F207-L232 HydrophobicContact CE2-CD2 4.45Å; F207-L232 HydrophobicContact CG-CB 4.03Å; F207-L232 HydrophobicContact CZ-CB 4.31Å; F207-L232 HydrophobicContact CZ-CD2 4.46Å; F207-V303 HydrophobicContact CE1-CG1 4.38Å; F207-V303 HydrophobicContact CZ-CG1 4.39Å; F207-L305 HydrophobicContact CE1-CB 4.37Å; F207-L305 HydrophobicContact CZ-CB 4.24Å; F207-L305 HydrophobicContact CZ-CD2 4.23Å; F207-E360 HydrophobicContact CB-CB 3.99Å; F207-E360 HydrophobicContact CB-CG 3.8Å; F207-E360 PolarHBondContact N-O 3.01Å; F207-E360 VanDerWaalsContact N-O 3.14Å; F207-E360 WeakPolarHBondContact O-CB 3.43Å |
| 208 | Q | 90.1 | Very high | 92.6 | Very high | 97 Ų | 97 | 56.1 Ų | 56.1 | 45% | 0.453 | 27% | 0.269 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 120.8 | 176 | -69 | -177.9 | -9.8 | 0 | 0 | 109.6 | S210 N211 | Q208-S210 PolarHBondContact O-N 2.73Å; Q208-S210 VanDerWaalsContact O-N 3.08Å; Q208-N211 HydrophobicContact CB-CB 4.45Å; Q208-N211 WeakPolarHBondContact O-CB 3.23Å; Q208-N211 PolarHBondContact O-N 3.08Å; Q208-N211 PolarHBondContact OE1-ND2 2.91Å |
| 209 | R | 92.1 | Very high | 93.2 | Very high | 162 Ų | 162 | 57.4 Ų | 57.4 | 61% | 0.611 | 28% | 0.276 | S | S | * | . | G | 310 helix | trans | -55.7 | -29.1 | 179 | -69.7 | -177 | -179.6 | 178.1 | 1.7 | 113.4 | F207 N211 T212 E360 E361 | F207-R209 PolarHBondContact O-N 3.09Å; R209-N211 PolarHBondContact O-N 3.34Å; R209-T212 PolarHBondContact O-N 2.91Å; R209-E360 HydrophobicContact CG-CB 3.86Å; R209-E360 HydrophobicContact CG-CG 3.93Å; R209-E361 IonicContact NH2-OE1 3.14Å; R209-E361 PolarHBondContact NH2-OE1 2.92Å |
| 210 | S | 93.5 | Very high | 93.7 | Very high | 92 Ų | 92 | 58.9 Ų | 58.9 | 64% | 0.643 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -66.9 | -21 | 175.2 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | Q208 | Q208-S210 PolarHBondContact O-N 2.73Å; Q208-S210 VanDerWaalsContact O-N 3.08Å |
| 211 | N | 94.3 | Very high | 94.2 | Very high | 52 Ų | 52 | 62.2 Ų | 62.2 | 28% | 0.278 | 30% | 0.299 | S | S | . | . | G | 310 helix | trans | -94 | -9.9 | 179.2 | -60 | -13.8 | 0 | 0 | 0 | 112 | Q208 R209 R213 E231 | Q208-N211 HydrophobicContact CB-CB 4.45Å; Q208-N211 WeakPolarHBondContact O-CB 3.23Å; Q208-N211 PolarHBondContact O-N 3.08Å; Q208-N211 PolarHBondContact OE1-ND2 2.91Å; R209-N211 PolarHBondContact O-N 3.34Å; N211-R213 PolarHBondContact O-N 3.32Å; N211-E231 HydrophobicContact CB-CB 4.16Å |
| 212 | T | 96.8 | Very high | 94.8 | Very high | 19 Ų | 19 | 71 Ų | 71 | 12% | 0.117 | 34% | 0.335 | C | S | . | . | trans | -70.7 | 127 | 175 | -57.6 | 0 | 0 | 0 | 0 | 110.4 | R209 Q228 M229 M230 E360 | R209-T212 PolarHBondContact O-N 2.91Å; T212-Q228 HydrophobicContact CG2-CB 4Å; T212-M229 VanDerWaalsContact CA-O 3.29Å; T212-M229 WeakPolarHBondContact CA-O 3.34Å; T212-M230 HydrophobicContact CG2-CG 4.36Å; T212-E360 WeakPolarHBondContact CB-OE1 3.17Å; T212-E360 WeakPolarHBondContact CG2-OE1 3.5Å; T212-E360 PolarHBondContact OG1-OE1 3.04Å | ||
| 213 | R | 97.6 | Very high | 95.1 | Very high | 171 Ų | 171 | 71.8 Ų | 71.8 | 65% | 0.645 | 34% | 0.343 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.2 | -177.9 | -60.1 | 180 | -171.2 | -155.2 | 1.5 | 110.8 | N211 V215 M229 | N211-R213 PolarHBondContact O-N 3.32Å; R213-V215 PolarHBondContact O-N 2.97Å; R213-M229 PolarHBondContact N-O 2.78Å; R213-M229 PolarHBondContact O-N 2.77Å |
| 214 | E | 98.3 | Very high | 95.4 | Very high | 130 Ų | 130 | 75 Ų | 75 | 61% | 0.607 | 36% | 0.363 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 126.3 | 169.5 | -168 | 171.2 | 92.9 | 0 | 0 | 110.1 | P226 V227 | E214-P226 HydrophobicContact CG-CB 3.89Å; E214-V227 WeakPolarHBondContact CA-O 3.46Å |
| 215 | V | 97.9 | Very high | 95.7 | Very high | 54 Ų | 54 | 78.1 Ų | 78.1 | 33% | 0.327 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 167.2 | 175.6 | -52.1 | 0 | 0 | 0 | 0 | 110 | R213 P226 V227 M229 | R213-V215 PolarHBondContact O-N 2.97Å; V215-P226 CarbonylContact O-C 3.57Å; V215-P226 WeakPolarHBondContact O-CA 3.41Å; V215-V227 HydrophobicContact CG2-CG1 3.93Å; V215-V227 PolarHBondContact N-O 3.19Å; V215-V227 PolarHBondContact O-N 3.18Å; V215-M229 HydrophobicContact CB-CB 4.34Å; V215-M229 HydrophobicContact CG1-CB 4.02Å; V215-M229 HydrophobicContact CG2-CB 3.41Å; V215-M229 VanDerWaalsContact CG2-CB 3.41Å; V215-M229 HydrophobicContact CG2-CE 3.64Å; V215-M229 HydrophobicContact CG2-CG 3.96Å |
| 216 | Q | 98.2 | Very high | 96 | Very high | 99 Ų | 99 | 79.8 Ų | 79.8 | 46% | 0.463 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 122 | 174.6 | -64.7 | -59.2 | -43.7 | 0 | 0 | 110.6 | T224 | Q216-T224 HydrophobicContact CB-CG2 4.4Å; Q216-T224 PolarHBondContact OE1-OG1 2.8Å |
| 217 | F | 98.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91 | 124.1 | 166.7 | -171.9 | -85.6 | 0 | 0 | 0 | 109 | L219 T224 K225 V227 P306 D383 H384 P385 F386 F404 C405 P407 | F217-L219 HydrophobicContact CD1-CD2 3.99Å; F217-L219 HydrophobicContact CE1-CD2 4.37Å; F217-L219 PolarHBondContact O-N 3.27Å; F217-T224 CarbonylContact O-C 3.54Å; F217-T224 WeakPolarHBondContact O-CA 3.47Å; F217-T224 WeakPolarHBondContact O-CB 3.25Å; F217-K225 WeakPolarHBondContact CB-O 3.25Å; F217-K225 PolarHBondContact N-O 2.82Å; F217-K225 PolarHBondContact O-N 2.86Å; F217-V227 HydrophobicContact CB-CB 4.23Å; F217-V227 HydrophobicContact CB-CG1 3.8Å; F217-V227 HydrophobicContact CD2-CG1 4.44Å; F217-P306 HydrophobicContact CE2-CG 4.38Å; F217-D383 CarbonylContact C-O 3.59Å; F217-D383 WeakPolarHBondContact CA-O 3.47Å; F217-D383 VanDerWaalsContact CD2-C 3.43Å; F217-H384 VanDerWaalsContact CE2-N 3.34Å; F217-H384 VanDerWaalsContact CZ-CA 3.43Å; F217-H384 VanDerWaalsContact CZ-O 3.27Å; F217-H384 WeakPolarHBondContact CZ-O 3.2Å; F217-P385 HydrophobicContact CE1-CG 4.35Å; F217-F386 HydrophobicContact CE2-CE1 4.27Å; F217-F404 HydrophobicContact CD2-CE1 4.09Å; F217-F404 HydrophobicContact CE1-CE1 4.33Å; F217-F404 AromaticContact CE2-CD1 3.79Å; F217-F404 HydrophobicContact CE2-CD1 3.79Å; F217-F404 AromaticContact CE2-CE1 3.54Å; F217-F404 HydrophobicContact CE2-CE1 3.54Å; F217-F404 AromaticContact CZ-CD1 3.62Å; F217-F404 HydrophobicContact CZ-CD1 3.62Å; F217-F404 AromaticContact CZ-CE1 3.66Å; F217-F404 HydrophobicContact CZ-CE1 3.66Å; F217-C405 WeakPolarHBondContact CE1-O 3.44Å; F217-P407 HydrophobicContact CB-CG 4.33Å |
| 218 | R | 98.4 | Very high | 96.6 | Very high | 67 Ų | 67 | 81.8 Ų | 81.8 | 25% | 0.253 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 118.1 | 177.8 | -58.6 | 178 | -77 | 161.6 | -0.3 | 108.5 | T224 I268 D383 H384 P385 | R218-T224 HydrophobicContact CG-CG2 4.18Å; R218-I268 HydrophobicContact CB-CD1 3.87Å; R218-D383 IonicContact CZ-OD1 2.83Å; R218-D383 IonicContact CZ-OD2 3.2Å; R218-D383 PolarHBondContact N-O 3.41Å; R218-D383 IonicContact NE-OD1 3.24Å; R218-D383 IonicContact NE-OD2 2.91Å; R218-D383 PolarHBondContact NE-OD2 3.01Å; R218-D383 IonicContact NH2-OD1 3.45Å; R218-D383 PolarHBondContact NH2-OD1 3.21Å; R218-D383 IonicContact NH2-OD2 2.76Å; R218-D383 PolarHBondContact NH2-OD2 3.02Å; R218-H384 HydrophobicContact CB-CB 4.03Å; R218-H384 PolarHBondContact NH2-ND1 3.44Å; R218-H384 VanDerWaalsContact NH2-ND1 3.13Å; R218-H384 WeakPolarHBondContact O-CA 3.35Å; R218-P385 VanDerWaalsContact O-CD 3.32Å; R218-P385 WeakPolarHBondContact O-CD 3.4Å |
| 219 | L | 97.6 | Very high | 97 | Very high | 34 Ų | 34 | 77.6 Ų | 77.6 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | S | Bend | trans | -79.9 | -35 | 175.2 | -56.3 | 179.4 | 0 | 0 | 0 | 111.3 | F217 D223 K225 C405 | F217-L219 HydrophobicContact CD1-CD2 3.99Å; F217-L219 HydrophobicContact CE1-CD2 4.37Å; F217-L219 PolarHBondContact O-N 3.27Å; L219-D223 HydrophobicContact CB-CB 4.39Å; L219-D223 HydrophobicContact CD1-CB 4.3Å; L219-D223 PolarHBondContact N-O 3.22Å; L219-K225 HydrophobicContact CD1-CD 3.91Å; L219-K225 HydrophobicContact CD1-CG 3.92Å; L219-K225 HydrophobicContact CD2-CB 4.46Å; L219-K225 HydrophobicContact CD2-CD 4.2Å; L219-K225 HydrophobicContact CD2-CG 4.45Å; L219-K225 HydrophobicContact CG-CG 4.41Å; L219-C405 WeakPolarHBondContact CD2-O 3.45Å |
| 220 | N | 96.2 | Very high | 97.2 | Very high | 32 Ų | 32 | 69.9 Ų | 69.9 | 17% | 0.171 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -155.6 | -169.5 | 178.1 | 61.6 | 55.4 | 0 | 0 | 0 | 108.2 | K222 D223 E272 | N220-K222 PolarHBondContact O-N 2.96Å; N220-K222 VanDerWaalsContact O-N 3.15Å; N220-K222 WeakPolarHBondContact OD1-CA 3.49Å; N220-K222 PolarHBondContact OD1-N 3.38Å; N220-D223 PolarHBondContact ND2-OD2 3.43Å; N220-D223 PolarHBondContact OD1-N 3.39Å; N220-D223 PolarHBondContact OD1-OD2 3.17Å; N220-E272 WeakPolarHBondContact CA-O 3.32Å; N220-E272 WeakPolarHBondContact CB-O 3.33Å |
| 221 | K | 94.9 | Very high | 97.4 | Very high | 118 Ų | 118 | 68.6 Ų | 68.6 | 51% | 0.513 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -61.9 | -18.9 | 179.5 | -71.5 | 179.7 | 177.7 | 161.5 | 0 | 115.2 | I268 E269 D270 | K221-I268 WeakPolarHBondContact CE-O 3.35Å; K221-I268 HydrophobicContact CG-CB 4.3Å; K221-I268 HydrophobicContact CG-CG2 3.93Å; K221-E269 WeakPolarHBondContact CE-O 3.48Å; K221-E269 PolarHBondContact NZ-O 2.98Å; K221-D270 WeakPolarHBondContact CD-O 3.4Å; K221-D270 WeakPolarHBondContact CE-O 3.45Å; K221-D270 PolarHBondContact NZ-O 2.9Å; K221-D270 VanDerWaalsContact NZ-O 3.16Å |
| 222 | K | 95.1 | Very high | 97.3 | Very high | 189 Ų | 189 | 66.9 Ų | 66.9 | 82% | 0.822 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -117.3 | -40.3 | -170.9 | -61.5 | -179.5 | -178.1 | 176.2 | 0 | 113 | N220 | N220-K222 PolarHBondContact O-N 2.96Å; N220-K222 VanDerWaalsContact O-N 3.15Å; N220-K222 WeakPolarHBondContact OD1-CA 3.49Å; N220-K222 PolarHBondContact OD1-N 3.38Å |
| 223 | D | 97.2 | Very high | 97.2 | Very high | 90 Ų | 90 | 71.4 Ų | 71.4 | 48% | 0.481 | 34% | 0.336 | S | S | . | . | trans | -100.5 | 140.9 | -170.3 | -56.4 | -48.6 | 0 | 0 | 0 | 111.7 | L219 N220 | L219-D223 HydrophobicContact CB-CB 4.39Å; L219-D223 HydrophobicContact CD1-CB 4.3Å; L219-D223 PolarHBondContact N-O 3.22Å; N220-D223 PolarHBondContact ND2-OD2 3.43Å; N220-D223 PolarHBondContact OD1-N 3.39Å; N220-D223 PolarHBondContact OD1-OD2 3.17Å | ||
| 224 | T | 97.9 | Very high | 97 | Very high | 70 Ų | 70 | 64.6 Ų | 64.6 | 43% | 0.429 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 157.1 | 174.2 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | Q216 F217 R218 | Q216-T224 HydrophobicContact CB-CG2 4.4Å; Q216-T224 PolarHBondContact OE1-OG1 2.8Å; F217-T224 CarbonylContact O-C 3.54Å; F217-T224 WeakPolarHBondContact O-CA 3.47Å; F217-T224 WeakPolarHBondContact O-CB 3.25Å; R218-T224 HydrophobicContact CG-CG2 4.18Å |
| 225 | K | 98.3 | Very high | 96.8 | Very high | 93 Ų | 93 | 63.9 Ų | 63.9 | 40% | 0.404 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 145.8 | 169.3 | -81.1 | -179.9 | -175 | 173.5 | 0 | 110.8 | F217 L219 S406 P407 | F217-K225 WeakPolarHBondContact CB-O 3.25Å; F217-K225 PolarHBondContact N-O 2.82Å; F217-K225 PolarHBondContact O-N 2.86Å; L219-K225 HydrophobicContact CD1-CD 3.91Å; L219-K225 HydrophobicContact CD1-CG 3.92Å; L219-K225 HydrophobicContact CD2-CB 4.46Å; L219-K225 HydrophobicContact CD2-CD 4.2Å; L219-K225 HydrophobicContact CD2-CG 4.45Å; L219-K225 HydrophobicContact CG-CG 4.41Å; K225-S406 PolarHBondContact NZ-OG 2.92Å; K225-P407 HydrophobicContact CB-CG 3.87Å |
| 226 | P | 98.3 | Very high | 96.7 | Very high | 70 Ų | 70 | 61.6 Ų | 61.6 | 46% | 0.455 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 139.9 | 173.2 | 27.8 | -33.6 | 0 | 0 | 0 | 110.9 | E214 V215 | E214-P226 HydrophobicContact CG-CB 3.89Å; V215-P226 CarbonylContact O-C 3.57Å; V215-P226 WeakPolarHBondContact O-CA 3.41Å |
| 227 | V | 98.3 | Very high | 96.6 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 5% | 0.048 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 149.4 | 172.7 | 71.4 | 0 | 0 | 0 | 0 | 110.3 | E214 V215 F217 M229 P306 P407 | E214-V227 WeakPolarHBondContact CA-O 3.46Å; V215-V227 HydrophobicContact CG2-CG1 3.93Å; V215-V227 PolarHBondContact N-O 3.19Å; V215-V227 PolarHBondContact O-N 3.18Å; F217-V227 HydrophobicContact CB-CB 4.23Å; F217-V227 HydrophobicContact CB-CG1 3.8Å; F217-V227 HydrophobicContact CD2-CG1 4.44Å; V227-M229 HydrophobicContact CG1-CE 4.04Å; V227-M229 PolarHBondContact O-N 2.93Å; V227-P306 HydrophobicContact CG1-CB 4.36Å; V227-P306 HydrophobicContact CG2-CB 3.59Å; V227-P407 HydrophobicContact CB-CB 3.84Å; V227-P407 HydrophobicContact CB-CG 4.06Å; V227-P407 HydrophobicContact CG2-CB 3.58Å; V227-P407 HydrophobicContact CG2-CG 4.33Å |
| 228 | Q | 98.4 | Very high | 96.5 | Very high | 71 Ų | 71 | 63.5 Ų | 63.5 | 33% | 0.332 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 107.4 | 167.6 | -65.1 | -61.5 | -47.5 | 0 | 0 | 108.9 | T212 R307 | T212-Q228 HydrophobicContact CG2-CB 4Å; Q228-R307 HydrophobicContact CB-CB 4.19Å; Q228-R307 PolarHBondContact O-N 3.46Å |
| 229 | M | 98.4 | Very high | 96.4 | Very high | 8 Ų | 8 | 60.5 Ų | 60.5 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 116.5 | -179.1 | -173.5 | 69.1 | 69.3 | 0 | 0 | 109.9 | T212 R213 V215 V227 K304 L305 P306 D383 | T212-M229 VanDerWaalsContact CA-O 3.29Å; T212-M229 WeakPolarHBondContact CA-O 3.34Å; R213-M229 PolarHBondContact N-O 2.78Å; R213-M229 PolarHBondContact O-N 2.77Å; V215-M229 HydrophobicContact CB-CB 4.34Å; V215-M229 HydrophobicContact CG1-CB 4.02Å; V215-M229 HydrophobicContact CG2-CB 3.41Å; V215-M229 VanDerWaalsContact CG2-CB 3.41Å; V215-M229 HydrophobicContact CG2-CE 3.64Å; V215-M229 HydrophobicContact CG2-CG 3.96Å; V227-M229 HydrophobicContact CG1-CE 4.04Å; V227-M229 PolarHBondContact O-N 2.93Å; M229-K304 HydrophobicContact CG-CB 3.87Å; M229-K304 VanDerWaalsContact SD-C 3.51Å; M229-K304 HydrophobicContact SD-CB 3.87Å; M229-L305 PolarHBondContact SD-N 2.88Å; M229-L305 VanDerWaalsContact SD-N 3.37Å; M229-P306 VanDerWaalsContact SD-N 3.43Å; M229-D383 HydrophobicContact CE-CB 4.09Å |
| 230 | M | 98.1 | Very high | 96.4 | Very high | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 148.7 | 175.5 | -48.9 | -177.6 | -63.1 | 0 | 0 | 109.3 | F207 T212 K304 L305 R307 V358 E360 | F207-M230 HydrophobicContact CB-CB 4.08Å; F207-M230 HydrophobicContact CD1-CB 3.51Å; F207-M230 HydrophobicContact CD2-CE 4.23Å; F207-M230 HydrophobicContact CE1-CB 4.09Å; F207-M230 HydrophobicContact CE2-CE 4.23Å; F207-M230 HydrophobicContact CG-CB 3.85Å; F207-M230 HydrophobicContact CG-CE 4.47Å; F207-M230 HydrophobicContact CG-SD 4.44Å; F207-M230 HydrophobicContact CZ-CE 4.45Å; T212-M230 HydrophobicContact CG2-CG 4.36Å; M230-K304 VanDerWaalsContact O-CA 3.25Å; M230-K304 WeakPolarHBondContact O-CA 3.24Å; M230-L305 WeakPolarHBondContact CB-O 3.38Å; M230-L305 HydrophobicContact CE-CB 4.29Å; M230-L305 HydrophobicContact CE-CD2 4.14Å; M230-L305 HydrophobicContact CE-CG 4.2Å; M230-L305 PolarHBondContact N-O 3.07Å; M230-L305 PolarHBondContact O-N 2.62Å; M230-R307 HydrophobicContact CG-CB 4.01Å; M230-R307 HydrophobicContact SD-CB 4.01Å; M230-R307 HydrophobicContact SD-CG 4.45Å; M230-V358 HydrophobicContact CE-CG1 3.8Å; M230-E360 HydrophobicContact CG-CG 4.04Å; M230-E360 HydrophobicContact SD-CB 4.42Å; M230-E360 VanDerWaalsContact SD-CD 3.58Å; M230-E360 HydrophobicContact SD-CG 3.73Å; M230-E360 PolarHBondContact SD-N 2.68Å |
| 231 | E | 96.1 | Very high | 96.5 | Very high | 65 Ų | 65 | 60.7 Ų | 60.7 | 30% | 0.304 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 134.2 | 178.5 | -174 | 179.3 | 128.1 | 0 | 0 | 111.7 | N211 V302 V303 K304 | N211-E231 HydrophobicContact CB-CB 4.16Å; E231-V302 HydrophobicContact CG-CG1 3.97Å; E231-V303 WeakPolarHBondContact CA-O 3.3Å; E231-K304 HydrophobicContact CB-CG 4.4Å; E231-K304 HydrophobicContact CG-CG 4.13Å; E231-K304 WeakPolarHBondContact OE2-CE 3.07Å; E231-K304 IonicContact OE2-NZ 2.76Å |
| 232 | L | 94 | Very high | 96.5 | Very high | 16 Ų | 16 | 60.5 Ų | 60.5 | 8% | 0.084 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 133 | 178 | 171.8 | 59.8 | 0 | 0 | 0 | 110.3 | V205 F207 F236 V303 | V205-L232 HydrophobicContact CB-CD2 4.17Å; V205-L232 HydrophobicContact CG1-CD1 3.87Å; V205-L232 HydrophobicContact CG1-CD2 4.02Å; V205-L232 WeakPolarHBondContact O-CD2 3.42Å; F207-L232 HydrophobicContact CD1-CB 3.42Å; F207-L232 VanDerWaalsContact CD1-CB 3.42Å; F207-L232 HydrophobicContact CD2-CD2 4.48Å; F207-L232 HydrophobicContact CE1-CB 3.58Å; F207-L232 HydrophobicContact CE2-CD2 4.45Å; F207-L232 HydrophobicContact CG-CB 4.03Å; F207-L232 HydrophobicContact CZ-CB 4.31Å; F207-L232 HydrophobicContact CZ-CD2 4.46Å; L232-F236 HydrophobicContact CD2-CE2 4.4Å; L232-F236 HydrophobicContact CD2-CZ 3.74Å; L232-F236 HydrophobicContact CG-CE2 4.44Å; L232-F236 HydrophobicContact CG-CZ 4.25Å; L232-V303 PolarHBondContact N-O 3.47Å; L232-V303 PolarHBondContact O-N 3.09Å |
| 233 | K | 94.1 | Very high | 96.4 | Very high | 115 Ų | 115 | 56.8 Ų | 56.8 | 50% | 0.5 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 119.1 | 168.7 | -169.1 | -175.1 | -158.2 | -142.2 | 0 | 109.2 | E300 I301 V302 | K233-E300 WeakPolarHBondContact CD-OE1 3.42Å; K233-E300 WeakPolarHBondContact CE-OE1 3.33Å; K233-E300 HydrophobicContact CG-CG 4.21Å; K233-E300 IonicContact NZ-OE1 3.58Å; K233-E300 PolarHBondContact NZ-OE1 3.24Å; K233-I301 WeakPolarHBondContact CA-O 3.45Å; K233-V302 HydrophobicContact CB-CG2 4.17Å; K233-V302 HydrophobicContact CD-CG2 4.14Å; K233-V302 HydrophobicContact CG-CG2 3.81Å |
| 234 | S | 93.9 | Very high | 96.3 | Very high | 27 Ų | 27 | 52.8 Ų | 52.8 | 19% | 0.189 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.7 | 174.5 | 178.8 | -179 | 0 | 0 | 0 | 0 | 110.5 | F236 I301 | S234-F236 WeakPolarHBondContact O-CD2 3.16Å; S234-I301 PolarHBondContact N-O 3.49Å; S234-I301 PolarHBondContact O-N 3.43Å |
| 235 | H | 93.8 | Very high | 96.2 | Very high | 116 Ų | 116 | 50.4 Ų | 50.4 | 54% | 0.537 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124.1 | 171.5 | -162.6 | 87.9 | 0 | 0 | 0 | 110.9 | G298 G299 | H235-G298 VanDerWaalsContact CE1-C 3.47Å; H235-G299 CarbonylContact C-O 3.45Å; H235-G299 VanDerWaalsContact CA-O 3.3Å; H235-G299 WeakPolarHBondContact CA-O 3.27Å; H235-G299 PolarHBondContact CE1-N 2.7Å |
| 236 | F | 95.6 | Very high | 96.1 | Very high | 5 Ų | 5 | 46 Ų | 46 | 2% | 0.022 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 166.9 | 178.6 | -64 | -71.2 | 0 | 0 | 0 | 110.7 | L232 S234 L249 I251 G298 G299 I301 V303 | L232-F236 HydrophobicContact CD2-CE2 4.4Å; L232-F236 HydrophobicContact CD2-CZ 3.74Å; L232-F236 HydrophobicContact CG-CE2 4.44Å; L232-F236 HydrophobicContact CG-CZ 4.25Å; S234-F236 WeakPolarHBondContact O-CD2 3.16Å; F236-L249 HydrophobicContact CB-CD1 3.73Å; F236-L249 HydrophobicContact CG-CD1 4.3Å; F236-I251 HydrophobicContact CE1-CB 4.45Å; F236-I251 HydrophobicContact CE1-CG1 4.48Å; F236-I251 HydrophobicContact CE1-CG2 3.86Å; F236-I251 HydrophobicContact CZ-CG2 4.49Å; F236-G298 WeakPolarHBondContact O-CA 3.13Å; F236-G299 PolarHBondContact N-O 3.05Å; F236-G299 PolarHBondContact O-N 2.78Å; F236-I301 HydrophobicContact CB-CD1 4.14Å; F236-I301 HydrophobicContact CD2-CB 4.33Å; F236-V303 HydrophobicContact CD2-CG2 3.57Å; F236-V303 HydrophobicContact CE2-CB 4.39Å; F236-V303 HydrophobicContact CE2-CG2 3.5Å; F236-V303 HydrophobicContact CG-CG2 4.46Å; F236-V303 HydrophobicContact CZ-CG2 4.38Å |
| 237 | H | 96.2 | Very high | 96.1 | Very high | 77 Ų | 77 | 44.5 Ų | 44.5 | 36% | 0.356 | 22% | 0.221 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 135.1 | 171.6 | -60.1 | 82.9 | 0 | 0 | 0 | 109.9 | E250 M296 E297 | H237-E250 PolarHBondContact O-N 3.11Å; H237-M296 HydrophobicContact CB-CB 4.1Å; H237-M296 HydrophobicContact CB-CE 4.07Å; H237-M296 WeakPolarHBondContact O-CE 3.45Å; H237-E297 CarbonylContact C-O 3.46Å; H237-E297 VanDerWaalsContact CA-O 3.29Å; H237-E297 WeakPolarHBondContact CA-O 3.11Å |
| 238 | R | 96.1 | Very high | 96.1 | Very high | 63 Ų | 63 | 44.1 Ų | 44.1 | 24% | 0.238 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 149.8 | 178.9 | 76.7 | -176.4 | -140.4 | 134 | 11.8 | 112.2 | E247 I248 L249 M296 E297 I301 S378 | R238-E247 IonicContact CZ-OE1 3.21Å; R238-E247 IonicContact NH1-OE1 2.8Å; R238-E247 PolarHBondContact NH1-OE1 3.29Å; R238-E247 IonicContact NH2-OE1 2.68Å; R238-I248 CarbonylContact C-O 3.55Å; R238-I248 WeakPolarHBondContact CA-O 3.37Å; R238-I248 WeakPolarHBondContact CB-O 3.41Å; R238-L249 HydrophobicContact CB-CD1 4.42Å; R238-M296 CarbonylContact O-C 3.49Å; R238-M296 WeakPolarHBondContact O-CA 3.36Å; R238-E297 PolarHBondContact N-O 3.48Å; R238-E297 PolarHBondContact O-N 3.33Å; R238-I301 HydrophobicContact CB-CD1 3.85Å; R238-I301 VanDerWaalsContact CD-CD1 3.42Å; R238-I301 HydrophobicContact CG-CD1 3.94Å; R238-S378 PolarHBondContact NH1-OG 3.06Å |
| 239 | A | 97.2 | Very high | 96.1 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 3% | 0.025 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 148.9 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | I241 E247 I248 E295 M296 | A239-I241 HydrophobicContact CB-CD1 4.01Å; A239-E247 WeakPolarHBondContact O-CA 3.35Å; A239-I248 HydrophobicContact CB-CB 4.32Å; A239-I248 PolarHBondContact N-O 3.5Å; A239-I248 PolarHBondContact O-N 3.09Å; A239-E295 HydrophobicContact CB-CB 4.45Å; A239-E295 VanDerWaalsContact CB-O 3.23Å; A239-E295 WeakPolarHBondContact CB-O 3.32Å; A239-M296 HydrophobicContact CB-CG 4.42Å; A239-M296 HydrophobicContact CB-SD 3.51Å; A239-M296 VanDerWaalsContact CB-SD 3.51Å |
| 240 | S | 96.7 | Very high | 96.1 | Very high | 62 Ų | 62 | 41.1 Ų | 41.1 | 43% | 0.434 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 109.1 | 178.5 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | R266 | S240-R266 PolarHBondContact OG-NH2 2.84Å |
| 241 | I | 97.3 | Very high | 96 | Very high | 8 Ų | 8 | 41.2 Ų | 41.2 | 4% | 0.041 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 94.6 | -172.4 | -49.4 | -53.9 | 0 | 0 | 0 | 108.9 | A239 E243 A244 S245 C246 I248 W290 | A239-I241 HydrophobicContact CB-CD1 4.01Å; I241-E243 HydrophobicContact CG2-CG 3.76Å; I241-E243 PolarHBondContact O-N 3.3Å; I241-A244 HydrophobicContact CB-CB 4.49Å; I241-A244 HydrophobicContact CG2-CB 3.84Å; I241-A244 PolarHBondContact O-N 3.48Å; I241-S245 WeakPolarHBondContact O-CA 3.21Å; I241-S245 PolarHBondContact O-N 2.81Å; I241-C246 HydrophobicContact CB-CB 4.47Å; I241-C246 PolarHBondContact N-O 3Å; I241-C246 PolarHBondContact O-N 2.96Å; I241-I248 HydrophobicContact CD1-CD1 4.22Å; I241-I248 HydrophobicContact CG1-CD1 3.73Å; I241-I248 HydrophobicContact CG1-CG1 4.16Å; I241-W290 HydrophobicContact CD1-CB 3.74Å; I241-W290 HydrophobicContact CD1-CD2 4.31Å; I241-W290 HydrophobicContact CD1-CG 3.71Å; I241-W290 HydrophobicContact CG1-CB 4.19Å; I241-W290 HydrophobicContact CG1-CD2 4.11Å; I241-W290 HydrophobicContact CG1-CE3 4.38Å; I241-W290 HydrophobicContact CG1-CG 4.01Å; I241-W290 HydrophobicContact CG2-CD2 3.78Å; I241-W290 VanDerWaalsContact CG2-CE2 3.49Å; I241-W290 HydrophobicContact CG2-CE3 4.24Å; I241-W290 HydrophobicContact CG2-CG 4.2Å; I241-W290 HydrophobicContact CG2-CH2 4.29Å; I241-W290 HydrophobicContact CG2-CZ2 3.79Å; I241-W290 HydrophobicContact CG2-CZ3 4.48Å |
| 242 | D | 95.2 | Very high | 96 | Very high | 114 Ų | 114 | 39.6 Ų | 39.6 | 61% | 0.61 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | -41.8 | -175.5 | -78.5 | -30.2 | 0 | 0 | 0 | 112.9 | A244 S245 R266 | D242-A244 VanDerWaalsContact C-N 3.29Å; D242-A244 PolarHBondContact O-N 3.2Å; D242-S245 PolarHBondContact O-N 3.3Å; D242-S245 PolarHBondContact O-OG 3.18Å; D242-R266 IonicContact OD1-CZ 3.14Å; D242-R266 IonicContact OD1-NH1 2.79Å; D242-R266 PolarHBondContact OD1-NH1 3.43Å; D242-R266 IonicContact OD1-NH2 3.87Å; D242-R266 PolarHBondContact OD1-NH2 3.2Å |
| 243 | E | 94.5 | Very high | 95.8 | Very high | 112 Ų | 112 | 39 Ų | 39 | 52% | 0.523 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -37.8 | -178.7 | 59.7 | 179.7 | -169.3 | 0 | 0 | 112.8 | I241 K277 W290 | I241-E243 HydrophobicContact CG2-CG 3.76Å; I241-E243 PolarHBondContact O-N 3.3Å; E243-K277 WeakPolarHBondContact O-CE 3.02Å; E243-K277 PolarHBondContact O-NZ 3.44Å; E243-K277 VanDerWaalsContact O-NZ 3.12Å; E243-W290 HydrophobicContact CG-CZ2 4.23Å; E243-W290 VanDerWaalsContact OE1-CE2 3.28Å; E243-W290 WeakPolarHBondContact OE1-CZ2 3.5Å; E243-W290 PolarHBondContact OE1-NE1 3.37Å |
| 244 | A | 94.5 | Very high | 95.5 | Very high | 5 Ų | 5 | 35.4 Ų | 35.4 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.3 | -4.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | I241 D242 C246 L278 L281 W290 | I241-A244 HydrophobicContact CB-CB 4.49Å; I241-A244 HydrophobicContact CG2-CB 3.84Å; I241-A244 PolarHBondContact O-N 3.48Å; D242-A244 VanDerWaalsContact C-N 3.29Å; D242-A244 PolarHBondContact O-N 3.2Å; A244-C246 VanDerWaalsContact C-N 3.27Å; A244-C246 HydrophobicContact CB-CB 4.06Å; A244-C246 PolarHBondContact O-N 3Å; A244-L278 HydrophobicContact CB-CD1 4.39Å; A244-L281 HydrophobicContact CB-CD1 4.08Å; A244-W290 HydrophobicContact CB-CH2 3.7Å; A244-W290 HydrophobicContact CB-CZ2 4.19Å; A244-W290 HydrophobicContact CB-CZ3 4.22Å |
| 245 | S | 95.6 | Very high | 95 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 15% | 0.147 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51 | 47.6 | -174.6 | -51 | 0 | 0 | 0 | 0 | 111.8 | I241 D242 R266 K277 | I241-S245 WeakPolarHBondContact O-CA 3.21Å; I241-S245 PolarHBondContact O-N 2.81Å; D242-S245 PolarHBondContact O-N 3.3Å; D242-S245 PolarHBondContact O-OG 3.18Å; S245-R266 WeakPolarHBondContact O-CG 3.25Å; S245-R266 PolarHBondContact O-N 2.87Å; S245-K277 PolarHBondContact OG-NZ 2.85Å |
| 246 | C | 96.9 | Very high | 94.6 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 152 | -168.8 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | I241 A244 L264 | I241-C246 HydrophobicContact CB-CB 4.47Å; I241-C246 PolarHBondContact N-O 3Å; I241-C246 PolarHBondContact O-N 2.96Å; A244-C246 VanDerWaalsContact C-N 3.27Å; A244-C246 HydrophobicContact CB-CB 4.06Å; A244-C246 PolarHBondContact O-N 3Å; C246-L264 CarbonylContact C-O 3.47Å; C246-L264 WeakPolarHBondContact CA-O 3.47Å; C246-L264 VanDerWaalsContact SG-C 3.56Å; C246-L264 PolarHBondContact SG-N 2.86Å; C246-L264 PolarHBondContact SG-O 3.04Å; C246-L264 VanDerWaalsContact SG-O 3.32Å |
| 247 | E | 97.9 | Very high | 94.1 | Very high | 38 Ų | 38 | 39.3 Ų | 39.3 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138.3 | 166 | -70.2 | -174.7 | 106.2 | 0 | 0 | 109.6 | R238 A239 L264 R266 F380 | R238-E247 IonicContact CZ-OE1 3.21Å; R238-E247 IonicContact NH1-OE1 2.8Å; R238-E247 PolarHBondContact NH1-OE1 3.29Å; R238-E247 IonicContact NH2-OE1 2.68Å; A239-E247 WeakPolarHBondContact O-CA 3.35Å; E247-L264 PolarHBondContact N-O 3.44Å; E247-L264 PolarHBondContact O-N 3.42Å; E247-R266 HydrophobicContact CG-CG 4.32Å; E247-F380 HydrophobicContact CB-CD2 4.23Å; E247-F380 HydrophobicContact CB-CE2 3.85Å |
| 248 | I | 98.5 | Very high | 93.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 132.2 | 175.7 | -56.1 | 172.7 | 0 | 0 | 0 | 108.6 | R238 A239 I241 L261 I262 F263 W290 M296 | R238-I248 CarbonylContact C-O 3.55Å; R238-I248 WeakPolarHBondContact CA-O 3.37Å; R238-I248 WeakPolarHBondContact CB-O 3.41Å; A239-I248 HydrophobicContact CB-CB 4.32Å; A239-I248 PolarHBondContact N-O 3.5Å; A239-I248 PolarHBondContact O-N 3.09Å; I241-I248 HydrophobicContact CD1-CD1 4.22Å; I241-I248 HydrophobicContact CG1-CD1 3.73Å; I241-I248 HydrophobicContact CG1-CG1 4.16Å; I248-L261 HydrophobicContact CG2-CD2 4.21Å; I248-I262 CarbonylContact C-O 3.57Å; I248-I262 VanDerWaalsContact CA-O 3.22Å; I248-I262 WeakPolarHBondContact CA-O 3.3Å; I248-F263 HydrophobicContact CD1-CD1 3.67Å; I248-F263 HydrophobicContact CD1-CE1 3.45Å; I248-F263 VanDerWaalsContact CD1-CE1 3.45Å; I248-F263 HydrophobicContact CD1-CG 4.33Å; I248-F263 HydrophobicContact CD1-CZ 3.9Å; I248-F263 HydrophobicContact CG1-CD1 3.75Å; I248-F263 HydrophobicContact CG1-CD2 4.42Å; I248-F263 HydrophobicContact CG1-CE1 4.02Å; I248-F263 HydrophobicContact CG1-CG 3.97Å; I248-F263 HydrophobicContact CG1-CZ 4.44Å; I248-F263 HydrophobicContact CG2-CD2 4.17Å; I248-F263 HydrophobicContact CG2-CE2 4.05Å; I248-F263 HydrophobicContact CG2-CZ 4.36Å; I248-W290 HydrophobicContact CD1-CB 3.56Å; I248-W290 HydrophobicContact CD1-CE3 4.17Å; I248-W290 HydrophobicContact CD1-CG 4.41Å; I248-M296 HydrophobicContact CB-SD 4.43Å; I248-M296 HydrophobicContact CG2-CE 4.3Å; I248-M296 HydrophobicContact CG2-SD 4.16Å |
| 249 | L | 98.5 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 132.7 | 175.2 | -179.9 | 72.3 | 0 | 0 | 0 | 110.4 | F236 R238 I251 L261 I262 I301 V303 F380 | F236-L249 HydrophobicContact CB-CD1 3.73Å; F236-L249 HydrophobicContact CG-CD1 4.3Å; R238-L249 HydrophobicContact CB-CD1 4.42Å; L249-I251 HydrophobicContact CD2-CD1 3.77Å; L249-I251 HydrophobicContact CD2-CG1 3.73Å; L249-I251 HydrophobicContact CG-CG1 3.95Å; L249-L261 CarbonylContact O-C 3.58Å; L249-L261 VanDerWaalsContact O-CA 3.29Å; L249-L261 WeakPolarHBondContact O-CA 3.34Å; L249-I262 PolarHBondContact N-O 3.37Å; L249-I262 PolarHBondContact O-N 3.02Å; L249-I301 HydrophobicContact CD1-CD1 3.91Å; L249-V303 HydrophobicContact CD1-CG2 4.42Å; L249-V303 HydrophobicContact CD2-CB 4.31Å; L249-V303 HydrophobicContact CD2-CG1 3.67Å; L249-V303 HydrophobicContact CD2-CG2 3.61Å; L249-F380 HydrophobicContact CB-CD1 4.18Å; L249-F380 HydrophobicContact CB-CD2 3.87Å; L249-F380 HydrophobicContact CB-CE1 3.95Å; L249-F380 HydrophobicContact CB-CE2 3.62Å; L249-F380 HydrophobicContact CB-CG 4.13Å; L249-F380 HydrophobicContact CB-CZ 3.65Å; L249-F380 HydrophobicContact CD2-CB 4.22Å; L249-F380 HydrophobicContact CD2-CD1 3.48Å; L249-F380 VanDerWaalsContact CD2-CD1 3.48Å; L249-F380 HydrophobicContact CD2-CD2 4.38Å; L249-F380 HydrophobicContact CD2-CE1 3.84Å; L249-F380 HydrophobicContact CD2-CG 3.77Å; L249-F380 HydrophobicContact CD2-CZ 4.41Å; L249-F380 HydrophobicContact CG-CD1 4.42Å; L249-F380 HydrophobicContact CG-CG 4.41Å |
| 250 | E | 97.9 | Very high | 93.6 | Very high | 16 Ų | 16 | 33.5 Ų | 33.5 | 8% | 0.075 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 115.2 | 170.9 | -168.5 | 176.7 | -139.1 | 0 | 0 | 111.4 | H237 S259 M260 L261 M296 R391 R393 | H237-E250 PolarHBondContact O-N 3.11Å; E250-S259 VanDerWaalsContact CG-CB 3.46Å; E250-S259 WeakPolarHBondContact OE1-CB 3.19Å; E250-S259 PolarHBondContact OE1-OG 2.85Å; E250-M260 WeakPolarHBondContact CA-O 3.47Å; E250-L261 HydrophobicContact CB-CD2 3.66Å; E250-L261 HydrophobicContact CG-CD2 3.78Å; E250-M296 HydrophobicContact CB-CE 3.66Å; E250-R391 IonicContact OE1-NH2 2.6Å; E250-R391 PolarHBondContact OE1-NH2 2.95Å; E250-R391 VanDerWaalsContact OE1-NH2 3.14Å; E250-R393 IonicContact OE1-NE 2.79Å; E250-R393 IonicContact OE2-NE 3.41Å |
| 251 | I | 96.5 | Very high | 93.7 | Very high | 2 Ų | 2 | 30.5 Ų | 30.5 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 111.8 | 176.1 | -49.7 | 179.5 | 0 | 0 | 0 | 109 | W203 F236 L249 S259 M260 I262 V303 L305 | W203-I251 HydrophobicContact CD2-CG2 4.26Å; W203-I251 HydrophobicContact CE3-CB 4.32Å; W203-I251 HydrophobicContact CE3-CG2 3.48Å; W203-I251 VanDerWaalsContact CE3-CG2 3.48Å; W203-I251 HydrophobicContact CH2-CG2 4.34Å; W203-I251 HydrophobicContact CZ3-CB 3.89Å; W203-I251 HydrophobicContact CZ3-CG2 3.54Å; F236-I251 HydrophobicContact CE1-CB 4.45Å; F236-I251 HydrophobicContact CE1-CG1 4.48Å; F236-I251 HydrophobicContact CE1-CG2 3.86Å; F236-I251 HydrophobicContact CZ-CG2 4.49Å; L249-I251 HydrophobicContact CD2-CD1 3.77Å; L249-I251 HydrophobicContact CD2-CG1 3.73Å; L249-I251 HydrophobicContact CG-CG1 3.95Å; I251-S259 CarbonylContact O-C 3.23Å; I251-S259 WeakPolarHBondContact O-CA 3.41Å; I251-M260 PolarHBondContact N-O 3.43Å; I251-M260 PolarHBondContact O-N 3.24Å; I251-I262 HydrophobicContact CD1-CD1 3.87Å; I251-V303 HydrophobicContact CD1-CG1 3.99Å; I251-L305 HydrophobicContact CD1-CD2 4.19Å |
| 252 | P | 94.4 | Very high | 93.8 | Very high | 31 Ų | 31 | 30.1 Ų | 30.1 | 20% | 0.201 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 141.7 | -179.2 | 28.6 | -32.7 | 0 | 0 | 0 | 112.6 | S204 K256 | S204-P252 WeakPolarHBondContact CB-O 3.5Å; S204-P252 PolarHBondContact N-O 3.18Å; P252-K256 HydrophobicContact CB-CG 4.32Å |
| 253 | Y | 91.3 | Very high | 93.9 | Very high | 5 Ų | 5 | 24.7 Ų | 24.7 | 2% | 0.02 | 15% | 0.145 | C | C | . | . | B | Isolated β-bridge | trans | -80.8 | 167.8 | 165.3 | -69.7 | -83.4 | 0 | 0 | 0 | 111 | F199 K202 W203 S204 K256 L258 M260 I390 | F199-Y253 AromaticContact CE1-CE1 3.8Å; F199-Y253 HydrophobicContact CE1-CE1 3.8Å; F199-Y253 HydrophobicContact CE1-CE2 4.17Å; F199-Y253 AromaticContact CE1-CZ 3.55Å; F199-Y253 WeakPolarHBondContact CE1-OH 3.37Å; F199-Y253 HydrophobicContact CZ-CD1 4.21Å; F199-Y253 HydrophobicContact CZ-CD2 4.24Å; F199-Y253 AromaticContact CZ-CE1 3.83Å; F199-Y253 HydrophobicContact CZ-CE1 3.83Å; F199-Y253 AromaticContact CZ-CE2 3.86Å; F199-Y253 HydrophobicContact CZ-CE2 3.86Å; F199-Y253 HydrophobicContact CZ-CG 4.4Å; F199-Y253 AromaticContact CZ-CZ 3.64Å; K202-Y253 CarbonylContact O-C 3.59Å; K202-Y253 WeakPolarHBondContact O-CA 3.44Å; K202-Y253 WeakPolarHBondContact O-CB 3.13Å; K202-Y253 WeakPolarHBondContact O-CD1 3.42Å; W203-Y253 HydrophobicContact CD2-CD1 4.47Å; W203-Y253 HydrophobicContact CD2-CE1 4.25Å; W203-Y253 AromaticContact CE3-CD1 3.92Å; W203-Y253 HydrophobicContact CE3-CD1 3.92Å; W203-Y253 AromaticContact CE3-CE1 3.78Å; W203-Y253 HydrophobicContact CE3-CE1 3.78Å; W203-Y253 HydrophobicContact CE3-CG 4.41Å; W203-Y253 HydrophobicContact CH2-CE1 4.03Å; W203-Y253 AromaticContact CH2-CZ 3.82Å; W203-Y253 HydrophobicContact CZ2-CE1 4.45Å; W203-Y253 HydrophobicContact CZ3-CD1 4.16Å; W203-Y253 HydrophobicContact CZ3-CD2 4.44Å; W203-Y253 AromaticContact CZ3-CE1 3.66Å; W203-Y253 HydrophobicContact CZ3-CE1 3.66Å; W203-Y253 AromaticContact CZ3-CE2 3.97Å; W203-Y253 HydrophobicContact CZ3-CE2 3.97Å; W203-Y253 AromaticContact CZ3-CZ 3.55Å; S204-Y253 WeakPolarHBondContact CB-O 3.26Å; Y253-K256 WeakPolarHBondContact O-CA 3.48Å; Y253-K256 PolarHBondContact O-N 3.43Å; Y253-L258 HydrophobicContact CD2-CB 3.95Å; Y253-L258 PolarHBondContact N-O 2.88Å; Y253-M260 HydrophobicContact CE2-CB 3.99Å; Y253-M260 WeakPolarHBondContact OH-CE 3.3Å; Y253-I390 HydrophobicContact CE2-CG2 4.13Å |
| 254 | E | 86.9 | Confident | 94.1 | Very high | 39 Ų | 39 | 19.6 Ų | 19.6 | 18% | 0.182 | 12% | 0.121 | C | C | . | . | G | 310 helix | trans | -50.9 | 138.8 | 174.7 | -177.6 | 170.6 | -155.3 | 0 | 0 | 111.3 | K115 K202 K256 T363 | K115-E254 WeakPolarHBondContact CA-OE2 3.32Å; K115-E254 HydrophobicContact CB-CB 4.2Å; K115-E254 HydrophobicContact CB-CG 3.79Å; K115-E254 WeakPolarHBondContact CB-OE2 3.06Å; K115-E254 HydrophobicContact CD-CG 4.12Å; K115-E254 VanDerWaalsContact CG-CD 3.49Å; K115-E254 HydrophobicContact CG-CG 3.9Å; K202-E254 HydrophobicContact CB-CB 4.18Å; K202-E254 VanDerWaalsContact CD-OE2 3.3Å; K202-E254 WeakPolarHBondContact CD-OE2 3.41Å; K202-E254 PolarHBondContact O-N 3.19Å; E254-K256 PolarHBondContact O-N 3.05Å; E254-T363 WeakPolarHBondContact CG-OG1 3.45Å; E254-T363 PolarHBondContact OE1-OG1 3.38Å; E254-T363 PolarHBondContact OE2-OG1 2.96Å |
| 255 | G | 83 | Confident | 94.3 | Very high | 63 Ų | 63 | 19.6 Ų | 19.6 | 65% | 0.649 | 12% | 0.12 | S | C | * | . | G | 310 helix | trans | 74.3 | -6.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | A257 | G255-A257 PolarHBondContact O-N 2.71Š|
| 256 | K | 85.9 | Confident | 94.4 | Very high | 121 Ų | 121 | 22.5 Ų | 22.5 | 53% | 0.526 | 13% | 0.128 | S | C | . | . | G | 310 helix | trans | 56.1 | 16.7 | 174.7 | -55 | -178.9 | 179 | 179.8 | 0 | 114.8 | P252 Y253 E254 R393 | P252-K256 HydrophobicContact CB-CG 4.32Å; Y253-K256 WeakPolarHBondContact O-CA 3.48Å; Y253-K256 PolarHBondContact O-N 3.43Å; E254-K256 PolarHBondContact O-N 3.05Å; K256-R393 VanDerWaalsContact O-CD 3.32Å; K256-R393 WeakPolarHBondContact O-CD 3.29Å; K256-R393 PolarHBondContact O-NH1 2.65Å |
| 257 | A | 84.3 | Confident | 94.3 | Very high | 45 Ų | 45 | 27.7 Ų | 27.7 | 37% | 0.372 | 15% | 0.152 | S | C | . | . | S | Bend | trans | -77 | -33.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | G255 R393 | G255-A257 PolarHBondContact O-N 2.71Å; A257-R393 PolarHBondContact O-N 2.82Å |
| 258 | L | 89.1 | Confident | 94.2 | Very high | 21 Ų | 21 | 26.4 Ų | 26.4 | 11% | 0.11 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 150.2 | 176 | -54.9 | -177.1 | 0 | 0 | 0 | 110.8 | F199 Y253 R391 N392 L399 | F199-L258 HydrophobicContact CE2-CD1 3.76Å; F199-L258 HydrophobicContact CZ-CD1 4.41Å; Y253-L258 HydrophobicContact CD2-CB 3.95Å; Y253-L258 PolarHBondContact N-O 2.88Å; L258-R391 WeakPolarHBondContact CA-O 3.27Å; L258-N392 HydrophobicContact CD2-CB 4.04Å; L258-L399 HydrophobicContact CD1-CD1 4.31Å; L258-L399 HydrophobicContact CD2-CD1 3.58Å |
| 259 | S | 93.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 152.4 | 167.3 | 46 | 0 | 0 | 0 | 0 | 111 | E250 I251 I390 R391 R393 | E250-S259 VanDerWaalsContact CG-CB 3.46Å; E250-S259 WeakPolarHBondContact OE1-CB 3.19Å; E250-S259 PolarHBondContact OE1-OG 2.85Å; I251-S259 CarbonylContact O-C 3.23Å; I251-S259 WeakPolarHBondContact O-CA 3.41Å; S259-I390 CarbonylContact O-C 3.51Å; S259-I390 WeakPolarHBondContact O-CA 3.18Å; S259-R391 PolarHBondContact N-O 3.05Å; S259-R391 PolarHBondContact O-N 3.47Å; S259-R393 VanDerWaalsContact OG-CG 3.27Å; S259-R393 WeakPolarHBondContact OG-CG 3.3Å |
| 260 | M | 97.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 126.6 | 160.4 | -177.9 | 176.7 | -72.3 | 0 | 0 | 108.6 | W203 E250 I251 Y253 I262 V358 F388 F389 I390 | W203-M260 HydrophobicContact CH2-CB 4Å; W203-M260 HydrophobicContact CH2-CE 4Å; W203-M260 HydrophobicContact CH2-SD 3.92Å; W203-M260 HydrophobicContact CZ3-CB 3.98Å; E250-M260 WeakPolarHBondContact CA-O 3.47Å; I251-M260 PolarHBondContact N-O 3.43Å; I251-M260 PolarHBondContact O-N 3.24Å; Y253-M260 HydrophobicContact CE2-CB 3.99Å; Y253-M260 WeakPolarHBondContact OH-CE 3.3Å; M260-I262 HydrophobicContact CG-CG1 4.03Å; M260-I262 HydrophobicContact SD-CD1 4.25Å; M260-I262 HydrophobicContact SD-CG1 4.02Å; M260-V358 HydrophobicContact CE-CG2 3.72Å; M260-F388 HydrophobicContact CE-CD2 4.04Å; M260-F388 HydrophobicContact CG-CB 4.42Å; M260-F388 HydrophobicContact SD-CB 4.41Å; M260-F388 HydrophobicContact SD-CD2 4.44Å; M260-F389 CarbonylContact C-O 3.45Å; M260-F389 WeakPolarHBondContact CA-O 3.45Å; M260-I390 HydrophobicContact CE-CD1 4.36Å; M260-I390 HydrophobicContact CE-CG1 4.29Å |
| 261 | L | 98.4 | Very high | 93.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 133.2 | 165.1 | -67.4 | 162.8 | 0 | 0 | 0 | 108.3 | I248 L249 E250 F263 F287 T291 M296 F388 F389 R391 | I248-L261 HydrophobicContact CG2-CD2 4.21Å; L249-L261 CarbonylContact O-C 3.58Å; L249-L261 VanDerWaalsContact O-CA 3.29Å; L249-L261 WeakPolarHBondContact O-CA 3.34Å; E250-L261 HydrophobicContact CB-CD2 3.66Å; E250-L261 HydrophobicContact CG-CD2 3.78Å; L261-F263 HydrophobicContact CB-CD2 4.36Å; L261-F263 HydrophobicContact CB-CE2 3.88Å; L261-F287 HydrophobicContact CD1-CZ 4.03Å; L261-T291 HydrophobicContact CD1-CG2 3.87Å; L261-T291 HydrophobicContact CD2-CG2 4.4Å; L261-M296 HydrophobicContact CD2-CE 4.28Å; L261-F388 CarbonylContact O-C 3.55Å; L261-F388 WeakPolarHBondContact O-CA 3.23Å; L261-F389 HydrophobicContact CB-CB 4.43Å; L261-F389 PolarHBondContact N-O 2.95Å; L261-F389 PolarHBondContact O-N 3.25Å; L261-R391 HydrophobicContact CD1-CB 4.48Å |
| 262 | I | 98.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 122.5 | 175.5 | -56.3 | 169.9 | 0 | 0 | 0 | 107.5 | I248 L249 I251 M260 L264 L305 F380 F386 | I248-I262 CarbonylContact C-O 3.57Å; I248-I262 VanDerWaalsContact CA-O 3.22Å; I248-I262 WeakPolarHBondContact CA-O 3.3Å; L249-I262 PolarHBondContact N-O 3.37Å; L249-I262 PolarHBondContact O-N 3.02Å; I251-I262 HydrophobicContact CD1-CD1 3.87Å; M260-I262 HydrophobicContact CG-CG1 4.03Å; M260-I262 HydrophobicContact SD-CD1 4.25Å; M260-I262 HydrophobicContact SD-CG1 4.02Å; I262-L264 HydrophobicContact CG2-CB 4.48Å; I262-L305 HydrophobicContact CD1-CD1 3.52Å; I262-L305 HydrophobicContact CD1-CD2 4.15Å; I262-L305 HydrophobicContact CD1-CG 4.43Å; I262-F380 HydrophobicContact CB-CE1 4.16Å; I262-F380 HydrophobicContact CB-CZ 4.01Å; I262-F380 HydrophobicContact CD1-CE1 4.3Å; I262-F380 HydrophobicContact CG2-CE1 3.89Å; I262-F380 HydrophobicContact CG2-CZ 3.78Å; I262-F386 HydrophobicContact CG2-CB 4.05Å; I262-F386 HydrophobicContact CG2-CD2 3.74Å; I262-F386 HydrophobicContact CG2-CE2 4.38Å; I262-F386 HydrophobicContact CG2-CG 3.93Å |
| 263 | F | 98.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 105 | 175.8 | -68.2 | -126.3 | 0 | 0 | 0 | 107.1 | I248 L261 L278 L282 F287 W290 T291 F386 L387 F389 | I248-F263 HydrophobicContact CD1-CD1 3.67Å; I248-F263 HydrophobicContact CD1-CE1 3.45Å; I248-F263 VanDerWaalsContact CD1-CE1 3.45Å; I248-F263 HydrophobicContact CD1-CG 4.33Å; I248-F263 HydrophobicContact CD1-CZ 3.9Å; I248-F263 HydrophobicContact CG1-CD1 3.75Å; I248-F263 HydrophobicContact CG1-CD2 4.42Å; I248-F263 HydrophobicContact CG1-CE1 4.02Å; I248-F263 HydrophobicContact CG1-CG 3.97Å; I248-F263 HydrophobicContact CG1-CZ 4.44Å; I248-F263 HydrophobicContact CG2-CD2 4.17Å; I248-F263 HydrophobicContact CG2-CE2 4.05Å; I248-F263 HydrophobicContact CG2-CZ 4.36Å; L261-F263 HydrophobicContact CB-CD2 4.36Å; L261-F263 HydrophobicContact CB-CE2 3.88Å; F263-L278 HydrophobicContact CB-CD2 3.82Å; F263-L278 HydrophobicContact CD1-CD1 4.19Å; F263-L282 HydrophobicContact CD1-CD1 4.34Å; F263-L282 HydrophobicContact CE1-CD1 3.85Å; F263-F287 HydrophobicContact CE1-CD2 4.2Å; F263-F287 HydrophobicContact CE1-CE2 4.42Å; F263-F287 HydrophobicContact CE2-CD2 4.39Å; F263-F287 AromaticContact CE2-CE2 3.81Å; F263-F287 HydrophobicContact CE2-CE2 3.81Å; F263-F287 HydrophobicContact CE2-CZ 4.46Å; F263-F287 AromaticContact CZ-CD2 3.64Å; F263-F287 HydrophobicContact CZ-CD2 3.64Å; F263-F287 AromaticContact CZ-CE2 3.49Å; F263-F287 HydrophobicContact CZ-CE2 3.49Å; F263-F287 VanDerWaalsContact CZ-CE2 3.49Å; F263-F287 HydrophobicContact CZ-CZ 4.26Å; F263-W290 HydrophobicContact CD1-CE3 4.33Å; F263-W290 AromaticContact CE1-CE3 3.94Å; F263-W290 HydrophobicContact CE1-CE3 3.94Å; F263-W290 HydrophobicContact CE1-CZ3 4.49Å; F263-T291 HydrophobicContact CE1-CG2 4.48Å; F263-T291 HydrophobicContact CE2-CG2 4.14Å; F263-T291 HydrophobicContact CZ-CG2 3.55Å; F263-F386 WeakPolarHBondContact O-CA 3.33Å; F263-F386 WeakPolarHBondContact O-CB 3.46Å; F263-L387 HydrophobicContact CB-CB 4.24Å; F263-L387 PolarHBondContact N-O 2.92Å; F263-L387 PolarHBondContact O-N 2.86Å; F263-F389 AromaticContact CD2-CD2 3.72Å; F263-F389 HydrophobicContact CD2-CD2 3.72Å; F263-F389 AromaticContact CD2-CE2 3.78Å; F263-F389 HydrophobicContact CD2-CE2 3.78Å; F263-F389 AromaticContact CE2-CD2 3.58Å; F263-F389 HydrophobicContact CE2-CD2 3.58Å; F263-F389 AromaticContact CE2-CE2 3.83Å; F263-F389 HydrophobicContact CE2-CE2 3.83Å; F263-F389 HydrophobicContact CG-CE2 4.31Å; F263-F389 HydrophobicContact CZ-CD2 4.4Å; F263-F389 HydrophobicContact CZ-CE2 4.35Å |
| 264 | L | 98.7 | Very high | 93.1 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 114.5 | -172.7 | -179.7 | 67.9 | 0 | 0 | 0 | 109.1 | C246 E247 I262 F380 T381 A382 H384 F386 | C246-L264 CarbonylContact C-O 3.47Å; C246-L264 WeakPolarHBondContact CA-O 3.47Å; C246-L264 VanDerWaalsContact SG-C 3.56Å; C246-L264 PolarHBondContact SG-N 2.86Å; C246-L264 PolarHBondContact SG-O 3.04Å; C246-L264 VanDerWaalsContact SG-O 3.32Å; E247-L264 PolarHBondContact N-O 3.44Å; E247-L264 PolarHBondContact O-N 3.42Å; I262-L264 HydrophobicContact CG2-CB 4.48Å; L264-F380 HydrophobicContact CB-CE1 4.39Å; L264-F380 HydrophobicContact CB-CE2 4.02Å; L264-F380 HydrophobicContact CB-CZ 3.58Å; L264-F380 HydrophobicContact CD2-CD1 4.41Å; L264-F380 HydrophobicContact CD2-CE1 3.95Å; L264-F380 HydrophobicContact CD2-CE2 4.07Å; L264-F380 HydrophobicContact CD2-CZ 3.77Å; L264-F380 HydrophobicContact CG-CZ 4.33Å; L264-T381 WeakPolarHBondContact CD2-O 3.39Å; L264-A382 HydrophobicContact CD1-CB 4.37Å; L264-A382 HydrophobicContact CD2-CB 4.39Å; L264-H384 VanDerWaalsContact CD1-CE1 3.49Å; L264-H384 WeakPolarHBondContact CD1-CE1 3.45Å; L264-F386 HydrophobicContact CB-CB 4.48Å; L264-F386 HydrophobicContact CD1-CB 3.9Å; L264-F386 HydrophobicContact CD1-CD1 4.49Å |
| 265 | P | 98.2 | Very high | 93.5 | Very high | 5 Ų | 5 | 39.9 Ų | 39.9 | 3% | 0.032 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.8 | 144.5 | 167.2 | -25 | 34.9 | 0 | 0 | 0 | 110.6 | Q267 G274 L275 H384 P385 | P265-Q267 PolarHBondContact O-N 3.46Å; P265-G274 WeakPolarHBondContact CG-O 3.37Å; P265-L275 HydrophobicContact CG-CD2 3.7Å; P265-H384 PolarHBondContact O-CE1 2.84Å; P265-H384 VanDerWaalsContact O-CE1 3.27Å; P265-H384 PolarHBondContact O-NE2 3.37Å; P265-P385 WeakPolarHBondContact CD-O 3.1Å |
| 266 | R | 96.8 | Very high | 94 | Very high | 81 Ų | 81 | 42.6 Ų | 42.6 | 31% | 0.306 | 21% | 0.209 | S | C | . | . | S | Bend | trans | -66.3 | -31.8 | 178.5 | -70.2 | 177.4 | -170.8 | 159.9 | 6.4 | 111.3 | S240 D242 S245 E247 | S240-R266 PolarHBondContact OG-NH2 2.84Å; D242-R266 IonicContact OD1-CZ 3.14Å; D242-R266 IonicContact OD1-NH1 2.79Å; D242-R266 PolarHBondContact OD1-NH1 3.43Å; D242-R266 IonicContact OD1-NH2 3.87Å; D242-R266 PolarHBondContact OD1-NH2 3.2Å; S245-R266 WeakPolarHBondContact O-CG 3.25Å; S245-R266 PolarHBondContact O-N 2.87Å; E247-R266 HydrophobicContact CG-CG 4.32Å |
| 267 | Q | 95.1 | Very high | 94.5 | Very high | 109 Ų | 109 | 40.6 Ų | 40.6 | 51% | 0.509 | 20% | 0.2 | S | C | . | . | S | Bend | trans | -150.3 | 161.5 | 177.1 | -67.5 | -57.8 | -32.3 | 0 | 0 | 110.7 | P265 E269 | P265-Q267 PolarHBondContact O-N 3.46Å; Q267-E269 PolarHBondContact O-N 2.97Å; Q267-E269 VanDerWaalsContact O-N 3.17Å |
| 268 | I | 96.3 | Very high | 95 | Very high | 12 Ų | 12 | 38.5 Ų | 38.5 | 6% | 0.062 | 18% | 0.183 | C | C | . | . | trans | -77.7 | 96.5 | 167.4 | -53.7 | 177.3 | 0 | 0 | 0 | 108.1 | R218 K221 H384 | R218-I268 HydrophobicContact CB-CD1 3.87Å; K221-I268 WeakPolarHBondContact CE-O 3.35Å; K221-I268 HydrophobicContact CG-CB 4.3Å; K221-I268 HydrophobicContact CG-CG2 3.93Å; I268-H384 HydrophobicContact CD1-CB 3.89Å; I268-H384 HydrophobicContact CG1-CB 4.07Å | ||
| 269 | E | 92.6 | Very high | 95.3 | Very high | 111 Ų | 111 | 39 Ų | 39 | 52% | 0.519 | 18% | 0.184 | S | C | . | . | trans | -87.2 | -28.7 | -177.8 | -67.5 | -174.2 | 174.7 | 0 | 0 | 113.5 | K221 Q267 | K221-E269 WeakPolarHBondContact CE-O 3.48Å; K221-E269 PolarHBondContact NZ-O 2.98Å; Q267-E269 PolarHBondContact O-N 2.97Å; Q267-E269 VanDerWaalsContact O-N 3.17Å | ||
| 270 | D | 91.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 44.1 Ų | 44.1 | 17% | 0.171 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -88.4 | -174.8 | 177 | 64.2 | 44.3 | 0 | 0 | 0 | 112.4 | K221 E272 T273 G274 | K221-D270 WeakPolarHBondContact CD-O 3.4Å; K221-D270 WeakPolarHBondContact CE-O 3.45Å; K221-D270 PolarHBondContact NZ-O 2.9Å; K221-D270 VanDerWaalsContact NZ-O 3.16Å; D270-E272 VanDerWaalsContact C-N 3.33Å; D270-E272 WeakPolarHBondContact OD1-CA 3.38Å; D270-E272 PolarHBondContact OD1-N 2.88Å; D270-T273 PolarHBondContact OD1-N 3.42Å; D270-T273 VanDerWaalsContact OD1-N 3.14Å; D270-G274 VanDerWaalsContact CG-N 3.27Å; D270-G274 WeakPolarHBondContact OD1-CA 3.17Å; D270-G274 PolarHBondContact OD1-N 3.46Å; D270-G274 WeakPolarHBondContact OD2-CA 3.49Å; D270-G274 PolarHBondContact OD2-N 3.43Å; D270-G274 VanDerWaalsContact OD2-N 3.13Å |
| 271 | N | 88.6 | Confident | 95.2 | Very high | 141 Ų | 141 | 47.3 Ų | 47.3 | 75% | 0.754 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -91.3 | 2.6 | 179.9 | -70 | -29.4 | 0 | 0 | 0 | 113 | ||
| 272 | E | 91.4 | Very high | 95.1 | Very high | 79 Ų | 79 | 47.5 Ų | 47.5 | 37% | 0.369 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -121.9 | -112.4 | -173.9 | -62.1 | 173.8 | 144.6 | 0 | 0 | 108 | N52 N220 D270 | N52-E272 PolarHBondContact ND2-OE1 3.21Å; N52-E272 PolarHBondContact ND2-OE2 2.81Å; N220-E272 WeakPolarHBondContact CA-O 3.32Å; N220-E272 WeakPolarHBondContact CB-O 3.33Å; D270-E272 VanDerWaalsContact C-N 3.33Å; D270-E272 WeakPolarHBondContact OD1-CA 3.38Å; D270-E272 PolarHBondContact OD1-N 2.88Å |
| 273 | T | 93.6 | Very high | 95 | Very high | 5 Ų | 5 | 49.9 Ų | 49.9 | 3% | 0.031 | 24% | 0.244 | C | C | . | . | trans | -94.2 | -16.1 | -169.4 | 58 | 0 | 0 | 0 | 0 | 114.3 | N52 T53 D270 L275 P385 C405 | N52-T273 WeakPolarHBondContact O-CG2 3.28Å; T53-T273 HydrophobicContact CG2-CG2 4.31Å; D270-T273 PolarHBondContact OD1-N 3.42Å; D270-T273 VanDerWaalsContact OD1-N 3.14Å; T273-L275 WeakPolarHBondContact OG1-CB 3.25Å; T273-L275 PolarHBondContact OG1-N 2.84Å; T273-P385 HydrophobicContact CG2-CB 4.41Å; T273-P385 HydrophobicContact CG2-CG 4.23Å; T273-P385 WeakPolarHBondContact O-CB 3.33Å; T273-P385 WeakPolarHBondContact O-CD 2.83Å; T273-P385 WeakPolarHBondContact O-CG 3.19Å; T273-C405 HydrophobicContact CG2-CB 4.35Å | ||
| 274 | G | 95.1 | Very high | 94.8 | Very high | 7 Ų | 7 | 50.1 Ų | 50.1 | 7% | 0.072 | 25% | 0.246 | C | C | . | . | S | Bend | trans | 82.1 | -2.5 | -169.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | P265 D270 | P265-G274 WeakPolarHBondContact CG-O 3.37Å; D270-G274 VanDerWaalsContact CG-N 3.27Å; D270-G274 WeakPolarHBondContact OD1-CA 3.17Å; D270-G274 PolarHBondContact OD1-N 3.46Å; D270-G274 WeakPolarHBondContact OD2-CA 3.49Å; D270-G274 PolarHBondContact OD2-N 3.43Å; D270-G274 VanDerWaalsContact OD2-N 3.13Å |
| 275 | L | 96.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.266 | C | S | . | . | trans | -87.7 | -14.6 | -173 | -68.7 | 171.2 | 0 | 0 | 0 | 114 | P265 T273 K277 L278 E279 P385 L387 R403 | P265-L275 HydrophobicContact CG-CD2 3.7Å; T273-L275 WeakPolarHBondContact OG1-CB 3.25Å; T273-L275 PolarHBondContact OG1-N 2.84Å; L275-K277 PolarHBondContact O-N 3.33Å; L275-L278 HydrophobicContact CD2-CD2 4.09Å; L275-L278 WeakPolarHBondContact O-CA 3.38Å; L275-L278 WeakPolarHBondContact O-CB 3.41Å; L275-L278 PolarHBondContact O-N 2.92Å; L275-E279 HydrophobicContact CB-CG 4.4Å; L275-E279 PolarHBondContact O-N 3.5Å; L275-P385 HydrophobicContact CD1-CB 3.71Å; L275-P385 HydrophobicContact CG-CB 4.04Å; L275-L387 HydrophobicContact CD1-CD2 4.27Å; L275-L387 HydrophobicContact CD2-CD2 4.47Å; L275-L387 HydrophobicContact CD2-CG 4.19Å; L275-R403 HydrophobicContact CD1-CG 3.56Å | ||
| 276 | K | 93.9 | Very high | 94.5 | Very high | 121 Ų | 121 | 55.4 Ų | 55.4 | 53% | 0.526 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -56 | -49.5 | -169.3 | -177.9 | 174.5 | -179 | 175.9 | 0 | 112.8 | L278 E279 D280 | K276-L278 VanDerWaalsContact C-N 3.28Å; K276-L278 PolarHBondContact O-N 2.78Å; K276-E279 PolarHBondContact O-N 3.32Å; K276-D280 WeakPolarHBondContact O-CB 3.19Å; K276-D280 VanDerWaalsContact O-CG 3.26Å; K276-D280 PolarHBondContact O-N 3.41Å |
| 277 | K | 94.9 | Very high | 94.5 | Very high | 79 Ų | 79 | 51.7 Ų | 51.7 | 34% | 0.343 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.9 | -40.3 | 179.4 | -174.3 | -178.4 | 178.7 | -168.8 | 0 | 111.9 | E243 S245 L275 L281 | E243-K277 WeakPolarHBondContact O-CE 3.02Å; E243-K277 PolarHBondContact O-NZ 3.44Å; E243-K277 VanDerWaalsContact O-NZ 3.12Å; S245-K277 PolarHBondContact OG-NZ 2.85Å; L275-K277 PolarHBondContact O-N 3.33Å; K277-L281 HydrophobicContact CG-CD1 4.19Å; K277-L281 WeakPolarHBondContact O-CG 3.32Å; K277-L281 PolarHBondContact O-N 3.14Å |
| 278 | L | 96.2 | Very high | 94.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.3 | -49.5 | 176.2 | 172.6 | 61.8 | 0 | 0 | 0 | 110.9 | A244 F263 L275 K276 D280 L281 L282 W290 L387 | A244-L278 HydrophobicContact CB-CD1 4.39Å; F263-L278 HydrophobicContact CB-CD2 3.82Å; F263-L278 HydrophobicContact CD1-CD1 4.19Å; L275-L278 HydrophobicContact CD2-CD2 4.09Å; L275-L278 WeakPolarHBondContact O-CA 3.38Å; L275-L278 WeakPolarHBondContact O-CB 3.41Å; L275-L278 PolarHBondContact O-N 2.92Å; K276-L278 VanDerWaalsContact C-N 3.28Å; K276-L278 PolarHBondContact O-N 2.78Å; L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 2.8Å; L278-L281 PolarHBondContact O-N 2.87Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 PolarHBondContact O-N 3.07Å; L278-W290 HydrophobicContact CD1-CH2 4.35Å; L278-W290 HydrophobicContact CD1-CZ3 3.71Å; L278-L387 HydrophobicContact CD2-CD1 3.88Å; L278-L387 HydrophobicContact CD2-CG 4.05Å; L278-L387 HydrophobicContact CG-CD1 4.08Å |
| 279 | E | 94.8 | Very high | 94.4 | Very high | 31 Ų | 31 | 54.1 Ų | 54.1 | 15% | 0.145 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.8 | -35.2 | -179.9 | -70.7 | 179.4 | 145.9 | 0 | 0 | 112.8 | R45 L275 K276 L387 R403 | R45-E279 PolarHBondContact NE-O 3.42Å; R45-E279 PolarHBondContact NH2-O 2.87Å; L275-E279 HydrophobicContact CB-CG 4.4Å; L275-E279 PolarHBondContact O-N 3.5Å; K276-E279 PolarHBondContact O-N 3.32Å; E279-L387 HydrophobicContact CG-CD1 4.24Å; E279-R403 IonicContact OE1-NH1 3.95Å; E279-R403 PolarHBondContact OE1-NH1 2.76Å |
| 280 | D | 93.8 | Very high | 94.6 | Very high | 107 Ų | 107 | 49.1 Ų | 49.1 | 57% | 0.572 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -68.1 | -42.2 | 177.1 | -72.7 | -20.7 | 0 | 0 | 0 | 111.8 | K276 L278 | K276-D280 WeakPolarHBondContact O-CB 3.19Å; K276-D280 VanDerWaalsContact O-CG 3.26Å; K276-D280 PolarHBondContact O-N 3.41Å; L278-D280 VanDerWaalsContact C-N 3.29Å; L278-D280 PolarHBondContact O-N 2.8Å |
| 281 | L | 96.4 | Very high | 94.8 | Very high | 68 Ų | 68 | 47.8 Ų | 47.8 | 36% | 0.356 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -84.8 | -14.8 | -178.3 | -67.2 | 173.9 | 0 | 0 | 0 | 114.1 | A244 K277 L278 T283 T286 W290 | A244-L281 HydrophobicContact CB-CD1 4.08Å; K277-L281 HydrophobicContact CG-CD1 4.19Å; K277-L281 WeakPolarHBondContact O-CG 3.32Å; K277-L281 PolarHBondContact O-N 3.14Å; L278-L281 PolarHBondContact O-N 2.87Å; L281-T283 PolarHBondContact O-N 3.45Å; L281-T286 PolarHBondContact O-OG1 3.18Å; L281-W290 HydrophobicContact CB-CH2 4.04Å; L281-W290 HydrophobicContact CB-CZ2 4.5Å |
| 282 | L | 96.3 | Very high | 95 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | trans | -78.7 | 93.8 | -174 | -166.8 | 63.9 | 0 | 0 | 0 | 111.5 | L41 R45 F263 L278 F287 W290 L387 F389 | L41-L282 HydrophobicContact CD1-CG 4.11Å; L41-L282 HydrophobicContact CD2-CD2 3.56Å; L41-L282 HydrophobicContact CD2-CG 3.82Å; R45-L282 PolarHBondContact NH2-O 2.99Å; F263-L282 HydrophobicContact CD1-CD1 4.34Å; F263-L282 HydrophobicContact CE1-CD1 3.85Å; L278-L282 WeakPolarHBondContact O-CB 3.48Å; L278-L282 PolarHBondContact O-N 3.07Å; L282-F287 HydrophobicContact CD1-CB 4.11Å; L282-F287 HydrophobicContact CD1-CD2 4.09Å; L282-W290 HydrophobicContact CD1-CE3 4.01Å; L282-W290 HydrophobicContact CD1-CZ3 3.65Å; L282-L387 HydrophobicContact CD2-CD1 3.77Å; L282-F389 HydrophobicContact CD2-CE2 4.38Å; L282-F389 HydrophobicContact CD2-CZ 3.96Å | ||
| 283 | T | 96 | Very high | 95 | Very high | 51 Ų | 51 | 45.9 Ų | 45.9 | 31% | 0.313 | 23% | 0.233 | S | C | . | . | trans | -101.6 | 173 | 171 | 68.1 | 0 | 0 | 0 | 0 | 110.1 | L41 L281 E285 T286 F287 | L41-T283 VanDerWaalsContact CD1-C 3.4Å; L41-T283 WeakPolarHBondContact CD1-O 3.45Å; L281-T283 PolarHBondContact O-N 3.45Å; T283-E285 PolarHBondContact O-N 3.36Å; T283-E285 PolarHBondContact OG1-N 2.92Å; T283-T286 PolarHBondContact N-OG1 3.05Å; T283-T286 PolarHBondContact O-OG1 3.5Å; T283-T286 PolarHBondContact OG1-N 3.34Å; T283-T286 VanDerWaalsContact OG1-N 3.13Å; T283-T286 PolarHBondContact OG1-OG1 2.81Å; T283-F287 WeakPolarHBondContact O-CB 3.39Å; T283-F287 PolarHBondContact O-N 2.86Å | ||
| 284 | A | 94.3 | Very high | 94.9 | Very high | 4 Ų | 4 | 51.3 Ų | 51.3 | 3% | 0.033 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.2 | -37.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T37 T38 M288 | T37-A284 HydrophobicContact CG2-CB 4.07Å; T38-A284 VanDerWaalsContact OG1-CB 3.23Å; T38-A284 WeakPolarHBondContact OG1-CB 2.89Å; A284-M288 WeakPolarHBondContact O-CB 3.38Å; A284-M288 VanDerWaalsContact O-CE 3.22Å; A284-M288 WeakPolarHBondContact O-CE 3.35Å; A284-M288 VanDerWaalsContact O-CG 3.26Å; A284-M288 WeakPolarHBondContact O-CG 3.36Å; A284-M288 PolarHBondContact O-N 2.86Å |
| 285 | E | 94.3 | Very high | 94.9 | Very high | 98 Ų | 98 | 54.6 Ų | 54.6 | 46% | 0.458 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.7 | -55.9 | 175.5 | -69.2 | 66.2 | -148.4 | 0 | 0 | 110.9 | K34 T283 F287 M288 E289 | K34-E285 WeakPolarHBondContact CE-OE1 3.34Å; K34-E285 IonicContact NZ-OE1 2.8Å; K34-E285 PolarHBondContact NZ-OE1 2.92Å; T283-E285 PolarHBondContact O-N 3.36Å; T283-E285 PolarHBondContact OG1-N 2.92Å; E285-F287 VanDerWaalsContact C-N 3.35Å; E285-F287 PolarHBondContact O-N 3.39Å; E285-M288 PolarHBondContact O-N 2.93Å; E285-E289 WeakPolarHBondContact O-CB 3.29Å; E285-E289 PolarHBondContact O-N 3.29Å |
| 286 | T | 96.3 | Very high | 94.8 | Very high | 23 Ų | 23 | 55 Ų | 55 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -66.9 | -36.5 | -178.9 | 61 | 0 | 0 | 0 | 0 | 111.7 | L281 T283 M288 E289 W290 | L281-T286 PolarHBondContact O-OG1 3.18Å; T283-T286 PolarHBondContact N-OG1 3.05Å; T283-T286 PolarHBondContact O-OG1 3.5Å; T283-T286 PolarHBondContact OG1-N 3.34Å; T283-T286 VanDerWaalsContact OG1-N 3.13Å; T283-T286 PolarHBondContact OG1-OG1 2.81Å; T286-M288 PolarHBondContact O-N 2.78Å; T286-E289 PolarHBondContact O-N 2.92Å; T286-W290 HydrophobicContact CG2-CZ2 4.13Å; T286-W290 VanDerWaalsContact O-CB 3.25Å; T286-W290 WeakPolarHBondContact O-CB 3.34Å; T286-W290 PolarHBondContact O-N 2.63Å |
| 287 | F | 97.1 | Very high | 94.8 | Very high | 3 Ų | 3 | 56 Ų | 56 | 1% | 0.013 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.7 | -45.3 | 173.2 | -176.1 | -80 | 0 | 0 | 0 | 112.1 | T37 L41 L261 F263 L282 T283 E285 T291 F389 I398 | T37-F287 HydrophobicContact CG2-CB 4.19Å; T37-F287 HydrophobicContact CG2-CD1 3.85Å; T37-F287 HydrophobicContact CG2-CG 4.01Å; L41-F287 HydrophobicContact CD1-CB 4.24Å; L261-F287 HydrophobicContact CD1-CZ 4.03Å; F263-F287 HydrophobicContact CE1-CD2 4.2Å; F263-F287 HydrophobicContact CE1-CE2 4.42Å; F263-F287 HydrophobicContact CE2-CD2 4.39Å; F263-F287 AromaticContact CE2-CE2 3.81Å; F263-F287 HydrophobicContact CE2-CE2 3.81Å; F263-F287 HydrophobicContact CE2-CZ 4.46Å; F263-F287 AromaticContact CZ-CD2 3.64Å; F263-F287 HydrophobicContact CZ-CD2 3.64Å; F263-F287 AromaticContact CZ-CE2 3.49Å; F263-F287 HydrophobicContact CZ-CE2 3.49Å; F263-F287 VanDerWaalsContact CZ-CE2 3.49Å; F263-F287 HydrophobicContact CZ-CZ 4.26Å; L282-F287 HydrophobicContact CD1-CB 4.11Å; L282-F287 HydrophobicContact CD1-CD2 4.09Å; T283-F287 WeakPolarHBondContact O-CB 3.39Å; T283-F287 PolarHBondContact O-N 2.86Å; E285-F287 VanDerWaalsContact C-N 3.35Å; E285-F287 PolarHBondContact O-N 3.39Å; F287-T291 HydrophobicContact CE1-CG2 4.3Å; F287-T291 HydrophobicContact CZ-CG2 4.37Å; F287-T291 WeakPolarHBondContact O-CB 3.29Å; F287-T291 VanDerWaalsContact O-CG2 3.23Å; F287-T291 WeakPolarHBondContact O-CG2 3.48Å; F287-T291 PolarHBondContact O-N 3.45Å; F287-T291 PolarHBondContact O-OG1 3.48Å; F287-F389 HydrophobicContact CD2-CE2 4.44Å; F287-F389 HydrophobicContact CD2-CZ 4.49Å; F287-F389 HydrophobicContact CE2-CB 4.41Å; F287-F389 HydrophobicContact CE2-CD1 4.02Å; F287-F389 AromaticContact CE2-CD2 3.65Å; F287-F389 HydrophobicContact CE2-CD2 3.65Å; F287-F389 HydrophobicContact CE2-CE1 4.16Å; F287-F389 AromaticContact CE2-CE2 3.81Å; F287-F389 HydrophobicContact CE2-CE2 3.81Å; F287-F389 AromaticContact CE2-CG 3.75Å; F287-F389 HydrophobicContact CE2-CG 3.75Å; F287-F389 HydrophobicContact CE2-CZ 4.06Å; F287-F389 HydrophobicContact CZ-CB 4.31Å; F287-F389 HydrophobicContact CZ-CD1 4.48Å; F287-F389 HydrophobicContact CZ-CD2 4.34Å; F287-F389 HydrophobicContact CZ-CG 4.13Å; F287-I398 HydrophobicContact CD1-CD1 4.39Å; F287-I398 HydrophobicContact CE1-CD1 3.8Å; F287-I398 HydrophobicContact CE1-CG1 4.15Å; F287-I398 HydrophobicContact CE2-CD1 3.95Å; F287-I398 HydrophobicContact CZ-CD1 3.57Å; F287-I398 HydrophobicContact CZ-CG1 4.01Å |
| 288 | M | 93.7 | Very high | 94.7 | Very high | 67 Ų | 67 | 54.4 Ų | 54.4 | 33% | 0.33 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 180 | -72.5 | -177.7 | -65.1 | 0 | 0 | 112 | K34 A284 E285 T286 H292 | K34-M288 HydrophobicContact CB-CE 4.39Å; K34-M288 HydrophobicContact CB-SD 4.15Å; K34-M288 HydrophobicContact CD-CE 3.7Å; K34-M288 HydrophobicContact CD-SD 4.44Å; K34-M288 HydrophobicContact CG-CE 3.73Å; K34-M288 HydrophobicContact CG-SD 4.13Å; A284-M288 WeakPolarHBondContact O-CB 3.38Å; A284-M288 VanDerWaalsContact O-CE 3.22Å; A284-M288 WeakPolarHBondContact O-CE 3.35Å; A284-M288 VanDerWaalsContact O-CG 3.26Å; A284-M288 WeakPolarHBondContact O-CG 3.36Å; A284-M288 PolarHBondContact O-N 2.86Å; E285-M288 PolarHBondContact O-N 2.93Å; T286-M288 PolarHBondContact O-N 2.78Å; M288-H292 PolarHBondContact O-N 3.22Å; M288-H292 VanDerWaalsContact O-N 3.14Å |
| 289 | E | 95.1 | Very high | 94.5 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 49% | 0.491 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.6 | -59.2 | 176.1 | -178.7 | 172.4 | -163.9 | 0 | 0 | 111 | E285 T286 T291 H292 E295 | E285-E289 WeakPolarHBondContact O-CB 3.29Å; E285-E289 PolarHBondContact O-N 3.29Å; T286-E289 PolarHBondContact O-N 2.92Å; E289-T291 PolarHBondContact O-N 3.04Å; E289-H292 VanDerWaalsContact O-CB 3.26Å; E289-H292 WeakPolarHBondContact O-CB 3.47Å; E289-H292 PolarHBondContact O-N 3.09Å; E289-E295 WeakPolarHBondContact O-CG 3.39Å |
| 290 | W | 96.9 | Very high | 94.5 | Very high | 6 Ų | 6 | 58.7 Ų | 58.7 | 2% | 0.023 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63 | -20.3 | -176.7 | -57.7 | -12.7 | 0 | 0 | 0 | 113.7 | I241 E243 A244 I248 F263 L278 L281 L282 T286 | I241-W290 HydrophobicContact CD1-CB 3.74Å; I241-W290 HydrophobicContact CD1-CD2 4.31Å; I241-W290 HydrophobicContact CD1-CG 3.71Å; I241-W290 HydrophobicContact CG1-CB 4.19Å; I241-W290 HydrophobicContact CG1-CD2 4.11Å; I241-W290 HydrophobicContact CG1-CE3 4.38Å; I241-W290 HydrophobicContact CG1-CG 4.01Å; I241-W290 HydrophobicContact CG2-CD2 3.78Å; I241-W290 VanDerWaalsContact CG2-CE2 3.49Å; I241-W290 HydrophobicContact CG2-CE3 4.24Å; I241-W290 HydrophobicContact CG2-CG 4.2Å; I241-W290 HydrophobicContact CG2-CH2 4.29Å; I241-W290 HydrophobicContact CG2-CZ2 3.79Å; I241-W290 HydrophobicContact CG2-CZ3 4.48Å; E243-W290 HydrophobicContact CG-CZ2 4.23Å; E243-W290 VanDerWaalsContact OE1-CE2 3.28Å; E243-W290 WeakPolarHBondContact OE1-CZ2 3.5Å; E243-W290 PolarHBondContact OE1-NE1 3.37Å; A244-W290 HydrophobicContact CB-CH2 3.7Å; A244-W290 HydrophobicContact CB-CZ2 4.19Å; A244-W290 HydrophobicContact CB-CZ3 4.22Å; I248-W290 HydrophobicContact CD1-CB 3.56Å; I248-W290 HydrophobicContact CD1-CE3 4.17Å; I248-W290 HydrophobicContact CD1-CG 4.41Å; F263-W290 HydrophobicContact CD1-CE3 4.33Å; F263-W290 AromaticContact CE1-CE3 3.94Å; F263-W290 HydrophobicContact CE1-CE3 3.94Å; F263-W290 HydrophobicContact CE1-CZ3 4.49Å; L278-W290 HydrophobicContact CD1-CH2 4.35Å; L278-W290 HydrophobicContact CD1-CZ3 3.71Å; L281-W290 HydrophobicContact CB-CH2 4.04Å; L281-W290 HydrophobicContact CB-CZ2 4.5Å; L282-W290 HydrophobicContact CD1-CE3 4.01Å; L282-W290 HydrophobicContact CD1-CZ3 3.65Å; T286-W290 HydrophobicContact CG2-CZ2 4.13Å; T286-W290 VanDerWaalsContact O-CB 3.25Å; T286-W290 WeakPolarHBondContact O-CB 3.34Å; T286-W290 PolarHBondContact O-N 2.63Å |
| 291 | T | 95.8 | Very high | 94.6 | Very high | 4 Ų | 4 | 53.7 Ų | 53.7 | 3% | 0.025 | 29% | 0.285 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 9.9 | 177.9 | 69.3 | 0 | 0 | 0 | 0 | 113.5 | L261 F263 F287 E289 R391 | L261-T291 HydrophobicContact CD1-CG2 3.87Å; L261-T291 HydrophobicContact CD2-CG2 4.4Å; F263-T291 HydrophobicContact CE1-CG2 4.48Å; F263-T291 HydrophobicContact CE2-CG2 4.14Å; F263-T291 HydrophobicContact CZ-CG2 3.55Å; F287-T291 HydrophobicContact CE1-CG2 4.3Å; F287-T291 HydrophobicContact CZ-CG2 4.37Å; F287-T291 WeakPolarHBondContact O-CB 3.29Å; F287-T291 VanDerWaalsContact O-CG2 3.23Å; F287-T291 WeakPolarHBondContact O-CG2 3.48Å; F287-T291 PolarHBondContact O-N 3.45Å; F287-T291 PolarHBondContact O-OG1 3.48Å; E289-T291 PolarHBondContact O-N 3.04Å; T291-R391 PolarHBondContact OG1-NH1 3.42Å |
| 292 | H | 93.5 | Very high | 94.6 | Very high | 93 Ų | 93 | 50.9 Ų | 50.9 | 43% | 0.431 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -70.1 | 141.8 | 174.5 | -166.1 | -66.8 | 0 | 0 | 0 | 109.8 | M288 E289 H294 E295 M296 | M288-H292 PolarHBondContact O-N 3.22Å; M288-H292 VanDerWaalsContact O-N 3.14Å; E289-H292 VanDerWaalsContact O-CB 3.26Å; E289-H292 WeakPolarHBondContact O-CB 3.47Å; E289-H292 PolarHBondContact O-N 3.09Å; H292-H294 WeakPolarHBondContact CB-ND1 3.5Å; H292-H294 AromaticContact CD2-CE1 3.92Å; H292-H294 AromaticContact CD2-ND1 3.66Å; H292-H294 AromaticContact CE1-ND1 3.29Å; H292-H294 PolarHBondContact CE1-ND1 2.86Å; H292-H294 VanDerWaalsContact CE1-ND1 3.29Å; H292-H294 AromaticContact CG-CE1 3.46Å; H292-H294 VanDerWaalsContact CG-CE1 3.46Å; H292-H294 AromaticContact CG-ND1 3.01Å; H292-H294 AromaticContact ND1-CE1 3.69Å; H292-H294 AromaticContact ND1-CG 3.63Å; H292-H294 PolarHBondContact ND1-N 3.29Å; H292-H294 AromaticContact ND1-ND1 2.76Å; H292-H294 PolarHBondContact ND1-ND1 2.88Å; H292-H294 AromaticContact NE2-ND1 3.82Å; H292-H294 PolarHBondContact O-N 3.14Å; H292-E295 PolarHBondContact O-N 3.07Å; H292-M296 WeakPolarHBondContact O-CG 3.32Å; H292-M296 PolarHBondContact O-N 3.48Å |
| 293 | P | 91.9 | Very high | 94.7 | Very high | 88 Ų | 88 | 50.7 Ų | 50.7 | 57% | 0.571 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52 | -14.7 | 175.6 | -31.2 | 34.4 | 0 | 0 | 0 | 117.6 | ||
| 294 | H | 91.5 | Very high | 94.8 | Very high | 118 Ų | 118 | 51.2 Ų | 51.2 | 55% | 0.546 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -28.5 | 179.7 | 71.6 | -94.6 | 0 | 0 | 0 | 112 | H292 | H292-H294 WeakPolarHBondContact CB-ND1 3.5Å; H292-H294 AromaticContact CD2-CE1 3.92Å; H292-H294 AromaticContact CD2-ND1 3.66Å; H292-H294 AromaticContact CE1-ND1 3.29Å; H292-H294 PolarHBondContact CE1-ND1 2.86Å; H292-H294 VanDerWaalsContact CE1-ND1 3.29Å; H292-H294 AromaticContact CG-CE1 3.46Å; H292-H294 VanDerWaalsContact CG-CE1 3.46Å; H292-H294 AromaticContact CG-ND1 3.01Å; H292-H294 AromaticContact ND1-CE1 3.69Å; H292-H294 AromaticContact ND1-CG 3.63Å; H292-H294 PolarHBondContact ND1-N 3.29Å; H292-H294 AromaticContact ND1-ND1 2.76Å; H292-H294 PolarHBondContact ND1-ND1 2.88Å; H292-H294 AromaticContact NE2-ND1 3.82Å; H292-H294 PolarHBondContact O-N 3.14Å |
| 295 | E | 93.2 | Very high | 95 | Very high | 76 Ų | 76 | 51 Ų | 51 | 36% | 0.355 | 27% | 0.266 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -19.9 | 173.5 | -66.5 | -57.3 | 131.1 | 0 | 0 | 112.3 | A239 E289 H292 E297 | A239-E295 HydrophobicContact CB-CB 4.45Å; A239-E295 VanDerWaalsContact CB-O 3.23Å; A239-E295 WeakPolarHBondContact CB-O 3.32Å; E289-E295 WeakPolarHBondContact O-CG 3.39Å; H292-E295 PolarHBondContact O-N 3.07Å; E295-E297 PolarHBondContact O-N 3.32Å |
| 296 | M | 94.6 | Very high | 95.2 | Very high | 10 Ų | 10 | 46.4 Ų | 46.4 | 5% | 0.049 | 24% | 0.244 | C | C | . | . | trans | -98.1 | 90.8 | -171.1 | -65.1 | -73.8 | -64.1 | 0 | 0 | 110.8 | H237 R238 A239 I248 E250 L261 H292 | H237-M296 HydrophobicContact CB-CB 4.1Å; H237-M296 HydrophobicContact CB-CE 4.07Å; H237-M296 WeakPolarHBondContact O-CE 3.45Å; R238-M296 CarbonylContact O-C 3.49Å; R238-M296 WeakPolarHBondContact O-CA 3.36Å; A239-M296 HydrophobicContact CB-CG 4.42Å; A239-M296 HydrophobicContact CB-SD 3.51Å; A239-M296 VanDerWaalsContact CB-SD 3.51Å; I248-M296 HydrophobicContact CB-SD 4.43Å; I248-M296 HydrophobicContact CG2-CE 4.3Å; I248-M296 HydrophobicContact CG2-SD 4.16Å; E250-M296 HydrophobicContact CB-CE 3.66Å; L261-M296 HydrophobicContact CD2-CE 4.28Å; H292-M296 WeakPolarHBondContact O-CG 3.32Å; H292-M296 PolarHBondContact O-N 3.48Å | ||
| 297 | E | 93.8 | Very high | 95.2 | Very high | 142 Ų | 142 | 50 Ų | 50 | 66% | 0.664 | 26% | 0.256 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 133.3 | -179.9 | -64 | -179.2 | 171.3 | 0 | 0 | 112.3 | H237 R238 E295 | H237-E297 CarbonylContact C-O 3.46Å; H237-E297 VanDerWaalsContact CA-O 3.29Å; H237-E297 WeakPolarHBondContact CA-O 3.11Å; R238-E297 PolarHBondContact N-O 3.48Å; R238-E297 PolarHBondContact O-N 3.33Å; E295-E297 PolarHBondContact O-N 3.32Å |
| 298 | G | 93.7 | Very high | 95.1 | Very high | 44 Ų | 44 | 50.4 Ų | 50.4 | 45% | 0.454 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.3 | 132.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | H235 F236 | H235-G298 VanDerWaalsContact CE1-C 3.47Å; F236-G298 WeakPolarHBondContact O-CA 3.13Å |
| 299 | G | 92.4 | Very high | 95.1 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 25% | 0.247 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.3 | 164.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | H235 F236 | H235-G299 CarbonylContact C-O 3.45Å; H235-G299 VanDerWaalsContact CA-O 3.3Å; H235-G299 WeakPolarHBondContact CA-O 3.27Å; H235-G299 PolarHBondContact CE1-N 2.7Å; F236-G299 PolarHBondContact N-O 3.05Å; F236-G299 PolarHBondContact O-N 2.78Å |
| 300 | E | 94.4 | Very high | 95 | Very high | 99 Ų | 99 | 48.6 Ų | 48.6 | 46% | 0.463 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 120.2 | 171.4 | -167 | 174.9 | 146.2 | 0 | 0 | 110 | K233 | K233-E300 WeakPolarHBondContact CD-OE1 3.42Å; K233-E300 WeakPolarHBondContact CE-OE1 3.33Å; K233-E300 HydrophobicContact CG-CG 4.21Å; K233-E300 IonicContact NZ-OE1 3.58Å; K233-E300 PolarHBondContact NZ-OE1 3.24Å |
| 301 | I | 95.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 52.4 Ų | 52.4 | 1% | 0.01 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 135.6 | -173.5 | -52.6 | 175.2 | 0 | 0 | 0 | 109 | K233 S234 F236 R238 L249 V303 F380 | K233-I301 WeakPolarHBondContact CA-O 3.45Å; S234-I301 PolarHBondContact N-O 3.49Å; S234-I301 PolarHBondContact O-N 3.43Å; F236-I301 HydrophobicContact CB-CD1 4.14Å; F236-I301 HydrophobicContact CD2-CB 4.33Å; R238-I301 HydrophobicContact CB-CD1 3.85Å; R238-I301 VanDerWaalsContact CD-CD1 3.42Å; R238-I301 HydrophobicContact CG-CD1 3.94Å; L249-I301 HydrophobicContact CD1-CD1 3.91Å; I301-V303 HydrophobicContact CB-CG2 4.37Å; I301-V303 HydrophobicContact CG2-CG2 4.01Å; I301-F380 HydrophobicContact CG2-CB 3.86Å |
| 302 | V | 97.1 | Very high | 94.8 | Very high | 8 Ų | 8 | 54.6 Ų | 54.6 | 5% | 0.048 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.7 | 106.5 | 164.6 | -178 | 0 | 0 | 0 | 0 | 108.2 | E231 K233 V377 S378 Y379 F380 | E231-V302 HydrophobicContact CG-CG1 3.97Å; K233-V302 HydrophobicContact CB-CG2 4.17Å; K233-V302 HydrophobicContact CD-CG2 4.14Å; K233-V302 HydrophobicContact CG-CG2 3.81Å; V302-V377 HydrophobicContact CG2-CG1 3.64Å; V302-S378 PolarHBondContact N-O 2.86Å; V302-Y379 HydrophobicContact CB-CD1 3.62Å; V302-Y379 HydrophobicContact CB-CE1 3.73Å; V302-Y379 HydrophobicContact CB-CG 4.4Å; V302-Y379 HydrophobicContact CG1-CD1 3.78Å; V302-Y379 HydrophobicContact CG1-CE1 3.7Å; V302-Y379 HydrophobicContact CG2-CD1 4.38Å; V302-Y379 HydrophobicContact CG2-CE1 4.07Å; V302-Y379 WeakPolarHBondContact O-CA 3.49Å; V302-F380 PolarHBondContact O-N 2.68Å |
| 303 | V | 98 | Very high | 94.8 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 128 | -179.6 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | F207 E231 L232 F236 L249 I251 I301 L305 F380 | F207-V303 HydrophobicContact CE1-CG1 4.38Å; F207-V303 HydrophobicContact CZ-CG1 4.39Å; E231-V303 WeakPolarHBondContact CA-O 3.3Å; L232-V303 PolarHBondContact N-O 3.47Å; L232-V303 PolarHBondContact O-N 3.09Å; F236-V303 HydrophobicContact CD2-CG2 3.57Å; F236-V303 HydrophobicContact CE2-CB 4.39Å; F236-V303 HydrophobicContact CE2-CG2 3.5Å; F236-V303 HydrophobicContact CG-CG2 4.46Å; F236-V303 HydrophobicContact CZ-CG2 4.38Å; L249-V303 HydrophobicContact CD1-CG2 4.42Å; L249-V303 HydrophobicContact CD2-CB 4.31Å; L249-V303 HydrophobicContact CD2-CG1 3.67Å; L249-V303 HydrophobicContact CD2-CG2 3.61Å; I251-V303 HydrophobicContact CD1-CG1 3.99Å; I301-V303 HydrophobicContact CB-CG2 4.37Å; I301-V303 HydrophobicContact CG2-CG2 4.01Å; V303-L305 HydrophobicContact CG1-CB 4.46Å; V303-F380 CarbonylContact C-O 3.59Å; V303-F380 WeakPolarHBondContact CA-O 3.37Å |
| 304 | K | 98.3 | Very high | 94.9 | Very high | 62 Ų | 62 | 50.6 Ų | 50.6 | 27% | 0.27 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 117.1 | 168.8 | -64.9 | -179.5 | -179.4 | -171.3 | 0 | 109.3 | M229 M230 E231 F380 T381 A382 | M229-K304 HydrophobicContact CG-CB 3.87Å; M229-K304 VanDerWaalsContact SD-C 3.51Å; M229-K304 HydrophobicContact SD-CB 3.87Å; M230-K304 VanDerWaalsContact O-CA 3.25Å; M230-K304 WeakPolarHBondContact O-CA 3.24Å; E231-K304 HydrophobicContact CB-CG 4.4Å; E231-K304 HydrophobicContact CG-CG 4.13Å; E231-K304 WeakPolarHBondContact OE2-CE 3.07Å; E231-K304 IonicContact OE2-NZ 2.76Å; K304-F380 PolarHBondContact N-O 3.05Å; K304-T381 HydrophobicContact CB-CG2 4.06Å; K304-T381 HydrophobicContact CD-CG2 4.07Å; K304-A382 PolarHBondContact O-N 3.01Å |
| 305 | L | 98.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 130.3 | -174.9 | -178.9 | 63.7 | 0 | 0 | 0 | 109.9 | W203 F207 M229 M230 I251 I262 V303 R307 V358 A382 F386 | W203-L305 HydrophobicContact CH2-CD2 4.44Å; W203-L305 HydrophobicContact CZ2-CD2 4.15Å; F207-L305 HydrophobicContact CE1-CB 4.37Å; F207-L305 HydrophobicContact CZ-CB 4.24Å; F207-L305 HydrophobicContact CZ-CD2 4.23Å; M229-L305 PolarHBondContact SD-N 2.88Å; M229-L305 VanDerWaalsContact SD-N 3.37Å; M230-L305 WeakPolarHBondContact CB-O 3.38Å; M230-L305 HydrophobicContact CE-CB 4.29Å; M230-L305 HydrophobicContact CE-CD2 4.14Å; M230-L305 HydrophobicContact CE-CG 4.2Å; M230-L305 PolarHBondContact N-O 3.07Å; M230-L305 PolarHBondContact O-N 2.62Å; I251-L305 HydrophobicContact CD1-CD2 4.19Å; I262-L305 HydrophobicContact CD1-CD1 3.52Å; I262-L305 HydrophobicContact CD1-CD2 4.15Å; I262-L305 HydrophobicContact CD1-CG 4.43Å; V303-L305 HydrophobicContact CG1-CB 4.46Å; L305-R307 PolarHBondContact O-N 3.12Å; L305-V358 HydrophobicContact CD2-CG1 4.15Å; L305-A382 HydrophobicContact CD1-CB 4.2Å; L305-F386 HydrophobicContact CD1-CZ 4.16Å |
| 306 | P | 98.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60 | 138.4 | 174.3 | 21.7 | -34.8 | 0 | 0 | 0 | 111.5 | F217 V227 M229 F308 A382 F386 F404 | F217-P306 HydrophobicContact CE2-CG 4.38Å; V227-P306 HydrophobicContact CG1-CB 4.36Å; V227-P306 HydrophobicContact CG2-CB 3.59Å; M229-P306 VanDerWaalsContact SD-N 3.43Å; P306-F308 HydrophobicContact CB-CD1 4.33Å; P306-F308 HydrophobicContact CG-CD1 4.17Å; P306-F308 WeakPolarHBondContact O-CD1 3.42Å; P306-A382 WeakPolarHBondContact CD-O 3.2Å; P306-F386 HydrophobicContact CG-CE1 3.78Å; P306-F386 HydrophobicContact CG-CZ 3.98Å; P306-F404 HydrophobicContact CB-CE1 4.1Å; P306-F404 HydrophobicContact CB-CZ 4.27Å; P306-F404 HydrophobicContact CG-CD1 4.21Å; P306-F404 HydrophobicContact CG-CE1 3.74Å; P306-F404 HydrophobicContact CG-CZ 4.3Å |
| 307 | R | 96.8 | Very high | 95.2 | Very high | 100 Ų | 100 | 47.6 Ų | 47.6 | 38% | 0.377 | 23% | 0.233 | S | C | . | . | trans | -73.9 | 125.5 | 161.3 | -176.9 | -165.1 | -72.3 | 172.9 | -0.6 | 107.4 | Q228 M230 L305 V358 N359 E360 | Q228-R307 HydrophobicContact CB-CB 4.19Å; Q228-R307 PolarHBondContact O-N 3.46Å; M230-R307 HydrophobicContact CG-CB 4.01Å; M230-R307 HydrophobicContact SD-CB 4.01Å; M230-R307 HydrophobicContact SD-CG 4.45Å; L305-R307 PolarHBondContact O-N 3.12Å; R307-V358 WeakPolarHBondContact CA-O 3.33Å; R307-V358 VanDerWaalsContact CG-O 3.26Å; R307-V358 WeakPolarHBondContact CG-O 3.43Å; R307-N359 HydrophobicContact CG-CB 4.25Å; R307-E360 IonicContact CZ-OE1 2.69Å; R307-E360 VanDerWaalsContact CZ-OE1 3.24Å; R307-E360 IonicContact CZ-OE2 3.79Å; R307-E360 IonicContact NE-OE1 2.66Å; R307-E360 PolarHBondContact NE-OE1 3.45Å; R307-E360 VanDerWaalsContact NE-OE1 3.14Å; R307-E360 IonicContact NE-OE2 2.67Å; R307-E360 PolarHBondContact NE-OE2 3.21Å; R307-E360 IonicContact NH2-OE1 3.89Å; R307-E360 PolarHBondContact NH2-OE1 3.09Å; R307-E360 IonicContact NH2-OE2 2.72Å; R307-E360 PolarHBondContact NH2-OE2 3.26Å | ||
| 308 | F | 95.4 | Very high | 95.3 | Very high | 11 Ų | 11 | 49.7 Ų | 49.7 | 5% | 0.048 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 163.1 | 179.4 | 62.9 | -97.2 | 0 | 0 | 0 | 112.6 | P306 L310 V356 V358 F386 F388 F404 | P306-F308 HydrophobicContact CB-CD1 4.33Å; P306-F308 HydrophobicContact CG-CD1 4.17Å; P306-F308 WeakPolarHBondContact O-CD1 3.42Å; F308-L310 HydrophobicContact CD2-CD1 4.23Å; F308-L310 HydrophobicContact CD2-CG 3.9Å; F308-L310 HydrophobicContact CE2-CD1 4.12Å; F308-L310 HydrophobicContact CE2-CG 4.24Å; F308-V356 HydrophobicContact CE2-CG1 4.37Å; F308-V358 HydrophobicContact CD1-CB 4.16Å; F308-V358 HydrophobicContact CD1-CG1 4.35Å; F308-V358 HydrophobicContact CD2-CB 4.26Å; F308-V358 HydrophobicContact CD2-CG2 4.29Å; F308-V358 HydrophobicContact CE1-CB 3.94Å; F308-V358 HydrophobicContact CE1-CG1 4.01Å; F308-V358 HydrophobicContact CE1-CG2 4Å; F308-V358 HydrophobicContact CE2-CB 4.08Å; F308-V358 HydrophobicContact CE2-CG2 3.65Å; F308-V358 HydrophobicContact CG-CB 4.31Å; F308-V358 HydrophobicContact CZ-CB 3.92Å; F308-V358 HydrophobicContact CZ-CG1 4.36Å; F308-V358 HydrophobicContact CZ-CG2 3.49Å; F308-V358 VanDerWaalsContact CZ-CG2 3.49Å; F308-V358 PolarHBondContact N-O 2.86Å; F308-V358 VanDerWaalsContact N-O 3.09Å; F308-V358 PolarHBondContact O-N 3.37Å; F308-F386 HydrophobicContact CE1-CE2 4.47Å; F308-F386 AromaticContact CE1-CZ 4Å; F308-F386 HydrophobicContact CE1-CZ 4Å; F308-F388 HydrophobicContact CE2-CE1 4.39Å; F308-F388 HydrophobicContact CE2-CZ 4.15Å; F308-F388 HydrophobicContact CZ-CE1 4.35Å; F308-F388 HydrophobicContact CZ-CZ 4.34Å; F308-F404 HydrophobicContact CB-CD2 4.24Å; F308-F404 HydrophobicContact CB-CE2 3.46Å; F308-F404 VanDerWaalsContact CB-CE2 3.46Å; F308-F404 HydrophobicContact CB-CZ 3.94Å; F308-F404 HydrophobicContact CD1-CD2 4.13Å; F308-F404 AromaticContact CD1-CE2 3.97Å; F308-F404 HydrophobicContact CD1-CE2 3.97Å; F308-F404 HydrophobicContact CD1-CZ 4.26Å; F308-F404 HydrophobicContact CD2-CD2 4.15Å; F308-F404 HydrophobicContact CD2-CE2 4.21Å; F308-F404 AromaticContact CG-CD2 3.93Å; F308-F404 HydrophobicContact CG-CD2 3.93Å; F308-F404 AromaticContact CG-CE2 3.63Å; F308-F404 HydrophobicContact CG-CE2 3.63Å; F308-F404 HydrophobicContact CG-CZ 4.26Å |
| 309 | K | 93.5 | Very high | 95.5 | Very high | 126 Ų | 126 | 48.8 Ų | 48.8 | 55% | 0.548 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 125.3 | 172.8 | 171.3 | 177.8 | 147.6 | 157.5 | 0 | 107.7 | F355 V356 | K309-F355 HydrophobicContact CD-CE1 4.29Å; K309-F355 HydrophobicContact CD-CE2 3.92Å; K309-F355 HydrophobicContact CD-CZ 3.41Å; K309-F355 VanDerWaalsContact CD-CZ 3.41Å; K309-F355 HydrophobicContact CG-CE1 4.15Å; K309-F355 HydrophobicContact CG-CE2 4.06Å; K309-F355 HydrophobicContact CG-CZ 3.63Å; K309-F355 VanDerWaalsContact NZ-CE2 3.33Å; K309-F355 VanDerWaalsContact NZ-CZ 3.3Å; K309-V356 CarbonylContact C-O 3.59Å; K309-V356 VanDerWaalsContact CA-O 3.3Å; K309-V356 WeakPolarHBondContact CA-O 3.45Å |
| 310 | L | 93.3 | Very high | 95.7 | Very high | 8 Ų | 8 | 47.7 Ų | 47.7 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 135.8 | 177 | -59.8 | 177.5 | 0 | 0 | 0 | 109.5 | N55 F57 F308 F355 V356 F388 F404 | N55-L310 HydrophobicContact CB-CD2 3.92Å; N55-L310 VanDerWaalsContact ND2-CD2 3.33Å; N55-L310 WeakPolarHBondContact ND2-CD2 3.41Å; F57-L310 HydrophobicContact CB-CB 4.12Å; F57-L310 HydrophobicContact CB-CD1 4.12Å; F57-L310 HydrophobicContact CG-CB 4.37Å; F308-L310 HydrophobicContact CD2-CD1 4.23Å; F308-L310 HydrophobicContact CD2-CG 3.9Å; F308-L310 HydrophobicContact CE2-CD1 4.12Å; F308-L310 HydrophobicContact CE2-CG 4.24Å; L310-F355 WeakPolarHBondContact O-CA 3.32Å; L310-V356 HydrophobicContact CB-CG1 3.87Å; L310-V356 HydrophobicContact CG-CG1 4.41Å; L310-V356 PolarHBondContact N-O 3.29Å; L310-V356 PolarHBondContact O-N 3.4Å; L310-F388 HydrophobicContact CD1-CE1 4.03Å; L310-F388 HydrophobicContact CD1-CZ 3.96Å; L310-F404 HydrophobicContact CD1-CD2 4.38Å; L310-F404 HydrophobicContact CD2-CD2 4.32Å |
| 311 | E | 92.9 | Very high | 95.9 | Very high | 86 Ų | 86 | 44.7 Ų | 44.7 | 40% | 0.402 | 20% | 0.204 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 100.7 | 174.3 | -177.6 | 178.5 | 160.9 | 0 | 0 | 107.7 | K353 A354 F355 | E311-K353 WeakPolarHBondContact OE1-CE 3.47Å; E311-K353 IonicContact OE1-NZ 3.22Å; E311-K353 PolarHBondContact OE1-NZ 3.23Å; E311-A354 WeakPolarHBondContact CA-O 3.4Å; E311-F355 HydrophobicContact CB-CD2 3.83Å; E311-F355 HydrophobicContact CB-CE2 4.38Å; E311-F355 HydrophobicContact CG-CD2 3.93Å |
| 312 | E | 93.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 47.7 Ų | 47.7 | 23% | 0.234 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 142.7 | -174.8 | -66.3 | -60.1 | 153.1 | 0 | 0 | 110.6 | F57 Y314 K353 A354 | F57-E312 HydrophobicContact CB-CB 4.23Å; F57-E312 HydrophobicContact CB-CG 3.82Å; F57-E312 WeakPolarHBondContact O-CB 3.29Å; E312-Y314 HydrophobicContact CB-CE2 3.71Å; E312-Y314 WeakPolarHBondContact CB-OH 3.39Å; E312-K353 WeakPolarHBondContact O-CA 2.9Å; E312-A354 PolarHBondContact N-O 3.35Å; E312-A354 PolarHBondContact O-N 2.88Å |
| 313 | K | 94.3 | Very high | 95.9 | Very high | 63 Ų | 63 | 48.6 Ų | 48.6 | 27% | 0.274 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 133.4 | -178.1 | -178.7 | -173.8 | 170 | -179.7 | 0 | 109.9 | M179 M184 H352 K353 | M179-K313 WeakPolarHBondContact O-CE 3.13Å; M179-K313 PolarHBondContact O-NZ 3.46Å; M184-K313 PolarHBondContact SD-NZ 3.45Å; K313-H352 CarbonylContact C-O 3.53Å; K313-H352 WeakPolarHBondContact CA-O 3.4Å; K313-K353 HydrophobicContact CB-CD 4.27Å; K313-K353 HydrophobicContact CB-CG 4.28Å; K313-K353 HydrophobicContact CG-CB 4.46Å; K313-K353 HydrophobicContact CG-CD 4.39Å |
| 314 | Y | 94.4 | Very high | 95.8 | Very high | 33 Ų | 33 | 50.4 Ų | 50.4 | 13% | 0.129 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 140.6 | -179.6 | -53 | -80.4 | 0 | 0 | 0 | 112.2 | L47 F57 F58 E312 L316 H352 | L47-Y314 HydrophobicContact CD1-CD1 4.31Å; L47-Y314 HydrophobicContact CD1-CE1 4.06Å; L47-Y314 HydrophobicContact CD1-CE2 4.26Å; L47-Y314 HydrophobicContact CD2-CD1 3.58Å; L47-Y314 HydrophobicContact CD2-CE1 3.85Å; L47-Y314 HydrophobicContact CD2-CG 4.17Å; L47-Y314 HydrophobicContact CG-CE1 4.4Å; F57-Y314 PolarHBondContact N-OH 2.85Å; F57-Y314 WeakPolarHBondContact O-CE2 3.44Å; F58-Y314 HydrophobicContact CB-CE2 4.17Å; E312-Y314 HydrophobicContact CB-CE2 3.71Å; E312-Y314 WeakPolarHBondContact CB-OH 3.39Å; Y314-L316 HydrophobicContact CG-CD2 4.37Å; Y314-H352 PolarHBondContact N-O 2.8Å; Y314-H352 PolarHBondContact O-N 3.13Å |
| 315 | E | 94.4 | Very high | 95.8 | Very high | 109 Ų | 109 | 47.5 Ų | 47.5 | 51% | 0.509 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 104.5 | 160.8 | -65.2 | -170.5 | -129.1 | 0 | 0 | 107.9 | M184 N317 Q349 | M184-E315 HydrophobicContact CE-CG 3.24Å; M184-E315 WeakPolarHBondContact CE-OE1 3.3Å; E315-N317 VanDerWaalsContact C-N 3.34Å; E315-N317 PolarHBondContact O-N 3.15Å; E315-Q349 PolarHBondContact OE2-NE2 3.16Å |
| 316 | L | 96.1 | Very high | 95.7 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | trans | -84.8 | -5.3 | -165 | -65.7 | 179.6 | 0 | 0 | 0 | 113.9 | L43 L47 I63 Y314 K318 V319 L320 V350 H352 | L43-L316 HydrophobicContact CD1-CD2 4.42Å; L47-L316 HydrophobicContact CD2-CD2 4.49Å; I63-L316 HydrophobicContact CD1-CD1 3.79Å; I63-L316 HydrophobicContact CG1-CD1 4.01Å; I63-L316 HydrophobicContact CG2-CD1 3.94Å; Y314-L316 HydrophobicContact CG-CD2 4.37Å; L316-K318 PolarHBondContact O-N 3.36Å; L316-V319 PolarHBondContact O-N 3.28Å; L316-L320 HydrophobicContact CB-CD1 3.66Å; L316-L320 HydrophobicContact CB-CG 3.99Å; L316-L320 WeakPolarHBondContact O-CB 3.43Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.41Å; L316-L320 PolarHBondContact O-N 2.86Å; L316-V350 HydrophobicContact CB-CB 4.12Å; L316-V350 HydrophobicContact CB-CG1 3.92Å; L316-V350 HydrophobicContact CD1-CG1 4.02Å; L316-V350 HydrophobicContact CG-CG1 4.41Å; L316-V350 PolarHBondContact N-O 2.82Å; L316-H352 HydrophobicContact CD1-CB 3.65Å; L316-H352 HydrophobicContact CG-CB 4.1Å | ||
| 317 | N | 95.3 | Very high | 95.7 | Very high | 32 Ų | 32 | 51.1 Ų | 51.1 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -50.7 | -58.9 | -175.9 | -66 | 52.9 | 0 | 0 | 0 | 112.5 | E315 V319 L320 S321 F329 S348 Q349 V350 | E315-N317 VanDerWaalsContact C-N 3.34Å; E315-N317 PolarHBondContact O-N 3.15Å; N317-V319 VanDerWaalsContact C-N 3.33Å; N317-V319 PolarHBondContact O-N 2.78Å; N317-L320 PolarHBondContact O-N 2.72Å; N317-S321 WeakPolarHBondContact O-CB 2.95Å; N317-S321 PolarHBondContact O-N 2.84Å; N317-S321 PolarHBondContact O-OG 2.77Å; N317-F329 HydrophobicContact CB-CD1 4.16Å; N317-F329 HydrophobicContact CB-CE1 3.98Å; N317-F329 HydrophobicContact CB-CZ 4.31Å; N317-F329 VanDerWaalsContact ND2-CD1 3.32Å; N317-F329 WeakPolarHBondContact ND2-CD1 3.18Å; N317-S348 PolarHBondContact ND2-O 3.04Å; N317-Q349 WeakPolarHBondContact OD1-CA 3.31Å; N317-V350 PolarHBondContact OD1-N 3.13Å |
| 318 | K | 95.8 | Very high | 95.7 | Very high | 185 Ų | 185 | 46.4 Ų | 46.4 | 80% | 0.804 | 24% | 0.239 | S | C | * | . | H | α-helix | trans | -62.6 | -41.1 | -178 | -68 | -175.6 | 179.7 | 179 | 0 | 112.1 | L316 S321 S322 | L316-K318 PolarHBondContact O-N 3.36Å; K318-S321 PolarHBondContact O-N 3.14Å; K318-S322 WeakPolarHBondContact O-CB 3.37Å; K318-S322 PolarHBondContact O-N 3.05Å |
| 319 | V | 96.7 | Very high | 95.8 | Very high | 26 Ų | 26 | 47.5 Ų | 47.5 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.8 | -51.9 | 179.5 | 174.3 | 0 | 0 | 0 | 0 | 110.1 | L43 K46 L47 L316 N317 S321 S322 M323 | L43-V319 HydrophobicContact CD1-CG1 3.45Å; L43-V319 VanDerWaalsContact CD1-CG1 3.45Å; K46-V319 HydrophobicContact CB-CG1 3.76Å; K46-V319 HydrophobicContact CG-CG1 4.45Å; L47-V319 HydrophobicContact CD2-CG1 4.43Å; L47-V319 HydrophobicContact CD2-CG2 4.05Å; L316-V319 PolarHBondContact O-N 3.28Å; N317-V319 VanDerWaalsContact C-N 3.33Å; N317-V319 PolarHBondContact O-N 2.78Å; V319-S321 PolarHBondContact O-N 3.03Å; V319-S322 WeakPolarHBondContact O-CB 3.36Å; V319-S322 PolarHBondContact O-N 2.78Å; V319-S322 VanDerWaalsContact O-N 3.16Å; V319-S322 PolarHBondContact O-OG 2.9Å; V319-M323 HydrophobicContact CG1-SD 4.14Å; V319-M323 WeakPolarHBondContact O-CG 3.35Å; V319-M323 PolarHBondContact O-N 2.96Å; V319-M323 VanDerWaalsContact O-N 3.14Å |
| 320 | L | 97.6 | Very high | 95.9 | Very high | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.1 | -36.4 | 179.9 | -65.3 | 169.5 | 0 | 0 | 0 | 112.3 | F39 L67 L316 N317 S322 M323 G324 M325 F329 V350 | F39-L320 HydrophobicContact CE2-CD2 4.24Å; F39-L320 HydrophobicContact CZ-CD2 4.42Å; L67-L320 HydrophobicContact CD1-CD1 4.01Å; L67-L320 HydrophobicContact CD1-CD2 3.88Å; L67-L320 HydrophobicContact CD2-CD1 4.07Å; L316-L320 HydrophobicContact CB-CD1 3.66Å; L316-L320 HydrophobicContact CB-CG 3.99Å; L316-L320 WeakPolarHBondContact O-CB 3.43Å; L316-L320 VanDerWaalsContact O-CG 3.27Å; L316-L320 WeakPolarHBondContact O-CG 3.41Å; L316-L320 PolarHBondContact O-N 2.86Å; N317-L320 PolarHBondContact O-N 2.72Å; L320-S322 VanDerWaalsContact C-N 3.33Å; L320-S322 PolarHBondContact O-N 2.95Å; L320-M323 HydrophobicContact CD2-SD 4.44Å; L320-M323 CarbonylContact O-C 3.59Å; L320-M323 WeakPolarHBondContact O-CA 3.32Å; L320-M323 WeakPolarHBondContact O-CB 3.44Å; L320-M323 PolarHBondContact O-N 3.43Å; L320-G324 PolarHBondContact O-N 2.81Å; L320-M325 HydrophobicContact CB-CB 4.34Å; L320-M325 HydrophobicContact CB-CE 3.9Å; L320-M325 HydrophobicContact CD1-CE 3.76Å; L320-M325 HydrophobicContact CG-CE 4.39Å; L320-M325 WeakPolarHBondContact O-CB 3.39Å; L320-M325 PolarHBondContact O-N 2.93Å; L320-F329 HydrophobicContact CB-CE2 3.92Å; L320-F329 HydrophobicContact CB-CZ 3.96Å; L320-F329 HydrophobicContact CD1-CZ 4.11Å; L320-V350 HydrophobicContact CD1-CB 4.4Å; L320-V350 HydrophobicContact CD1-CG1 4.22Å; L320-V350 HydrophobicContact CD1-CG2 4.35Å |
| 321 | S | 97.4 | Very high | 96 | Very high | 37 Ų | 37 | 48.6 Ų | 48.6 | 26% | 0.259 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.9 | -42 | 171.1 | -61.6 | 0 | 0 | 0 | 0 | 112 | N317 K318 V319 M323 G324 M325 F329 | N317-S321 WeakPolarHBondContact O-CB 2.95Å; N317-S321 PolarHBondContact O-N 2.84Å; N317-S321 PolarHBondContact O-OG 2.77Å; K318-S321 PolarHBondContact O-N 3.14Å; V319-S321 PolarHBondContact O-N 3.03Å; S321-M323 PolarHBondContact O-N 2.82Å; S321-G324 PolarHBondContact O-N 3.36Å; S321-M325 WeakPolarHBondContact CA-O 3.44Å; S321-M325 PolarHBondContact OG-O 3.32Å; S321-F329 WeakPolarHBondContact OG-CD2 3.48Å |
| 322 | S | 96.8 | Very high | 96 | Very high | 64 Ų | 64 | 50.4 Ų | 50.4 | 45% | 0.448 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.9 | -18.4 | 174.9 | 83.1 | 0 | 0 | 0 | 0 | 113.3 | K46 K318 V319 L320 | K46-S322 WeakPolarHBondContact CE-OG 3.41Å; K318-S322 WeakPolarHBondContact O-CB 3.37Å; K318-S322 PolarHBondContact O-N 3.05Å; V319-S322 WeakPolarHBondContact O-CB 3.36Å; V319-S322 PolarHBondContact O-N 2.78Å; V319-S322 VanDerWaalsContact O-N 3.16Å; V319-S322 PolarHBondContact O-OG 2.9Å; L320-S322 VanDerWaalsContact C-N 3.33Å; L320-S322 PolarHBondContact O-N 2.95Å |
| 323 | M | 96.4 | Very high | 96.1 | Very high | 28 Ų | 28 | 53.6 Ų | 53.6 | 14% | 0.138 | 28% | 0.282 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | 3.9 | 174.6 | -64 | 174 | 68.9 | 0 | 0 | 113 | F39 A42 L43 K46 V319 L320 S321 | F39-M323 HydrophobicContact CD2-CE 3.83Å; F39-M323 HydrophobicContact CE2-CE 3.8Å; A42-M323 HydrophobicContact CB-CE 3.86Å; L43-M323 HydrophobicContact CB-CE 4.42Å; L43-M323 HydrophobicContact CD1-SD 4.18Å; K46-M323 HydrophobicContact CG-CG 3.8Å; K46-M323 HydrophobicContact CG-SD 4.08Å; V319-M323 HydrophobicContact CG1-SD 4.14Å; V319-M323 WeakPolarHBondContact O-CG 3.35Å; V319-M323 PolarHBondContact O-N 2.96Å; V319-M323 VanDerWaalsContact O-N 3.14Å; L320-M323 HydrophobicContact CD2-SD 4.44Å; L320-M323 CarbonylContact O-C 3.59Å; L320-M323 WeakPolarHBondContact O-CA 3.32Å; L320-M323 WeakPolarHBondContact O-CB 3.44Å; L320-M323 PolarHBondContact O-N 3.43Å; S321-M323 PolarHBondContact O-N 2.82Å |
| 324 | G | 96.6 | Very high | 96.2 | Very high | 37 Ų | 37 | 51.5 Ų | 51.5 | 38% | 0.381 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 104.4 | -4.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | Q81 L320 S321 V326 | Q81-G324 WeakPolarHBondContact CG-O 3.21Å; Q81-G324 PolarHBondContact OE1-O 2.96Å; L320-G324 PolarHBondContact O-N 2.81Å; S321-G324 PolarHBondContact O-N 3.36Å; G324-V326 PolarHBondContact O-N 3.19Å |
| 325 | M | 96.9 | Very high | 96.3 | Very high | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | trans | -87.7 | 77.8 | 177.9 | -163.8 | -179.7 | 89.4 | 0 | 0 | 110.4 | L67 I82 C85 L320 S321 A328 F329 L347 | L67-M325 HydrophobicContact CD2-CE 3.92Å; L67-M325 HydrophobicContact CD2-SD 4.14Å; I82-M325 HydrophobicContact CB-SD 4.34Å; I82-M325 HydrophobicContact CG1-CG 3.89Å; I82-M325 HydrophobicContact CG1-SD 3.65Å; I82-M325 HydrophobicContact CG2-SD 4.5Å; C85-M325 HydrophobicContact CB-CB 4.15Å; L320-M325 HydrophobicContact CB-CB 4.34Å; L320-M325 HydrophobicContact CB-CE 3.9Å; L320-M325 HydrophobicContact CD1-CE 3.76Å; L320-M325 HydrophobicContact CG-CE 4.39Å; L320-M325 WeakPolarHBondContact O-CB 3.39Å; L320-M325 PolarHBondContact O-N 2.93Å; S321-M325 WeakPolarHBondContact CA-O 3.44Å; S321-M325 PolarHBondContact OG-O 3.32Å; M325-A328 HydrophobicContact CE-CB 4.25Å; M325-A328 HydrophobicContact CG-CB 4.1Å; M325-F329 HydrophobicContact CB-CE2 4.46Å; M325-F329 HydrophobicContact CE-CD2 4.35Å; M325-F329 HydrophobicContact CE-CE1 4.01Å; M325-F329 HydrophobicContact CE-CE2 3.3Å; M325-F329 HydrophobicContact CE-CZ 3.08Å; M325-F329 HydrophobicContact CG-CE2 4.43Å; M325-F329 WeakPolarHBondContact O-CD2 3.38Å; M325-F329 WeakPolarHBondContact O-CE2 3.48Å; M325-L347 HydrophobicContact CE-CD2 4.37Å | ||
| 326 | V | 97.8 | Very high | 96.4 | Very high | 62 Ų | 62 | 47.9 Ų | 47.9 | 38% | 0.376 | 26% | 0.261 | S | S | . | . | trans | -97.6 | -48.4 | -171.1 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | G324 A328 F329 | G324-V326 PolarHBondContact O-N 3.19Å; V326-A328 VanDerWaalsContact C-N 3.28Å; V326-A328 PolarHBondContact O-N 2.94Å; V326-F329 PolarHBondContact O-N 2.76Å; V326-F329 VanDerWaalsContact O-N 3.07Å | ||
| 327 | D | 97.7 | Very high | 96.4 | Very high | 15 Ų | 15 | 50.8 Ų | 50.8 | 8% | 0.08 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -67.5 | -29.7 | -169.7 | -65.6 | -10.9 | 0 | 0 | 0 | 112.6 | D77 Q81 F329 D330 K333 C334 | D77-D327 WeakPolarHBondContact CB-OD2 3.08Å; Q81-D327 PolarHBondContact NE2-OD2 2.82Å; D327-F329 PolarHBondContact O-N 2.75Å; D327-F329 VanDerWaalsContact O-N 3.1Å; D327-D330 PolarHBondContact O-N 2.68Å; D327-D330 VanDerWaalsContact O-N 3.08Å; D327-K333 HydrophobicContact CB-CB 3.95Å; D327-K333 WeakPolarHBondContact OD1-CD 3.33Å; D327-C334 VanDerWaalsContact O-CA 3.26Å; D327-C334 WeakPolarHBondContact O-CA 3.42Å; D327-C334 VanDerWaalsContact O-CB 3.27Å; D327-C334 WeakPolarHBondContact O-CB 3.33Å; D327-C334 PolarHBondContact O-N 3.27Å |
| 328 | A | 97.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -56.6 | -27.8 | 175 | 0 | 0 | 0 | 0 | 0 | 113 | T78 M325 V326 F336 L347 | T78-A328 HydrophobicContact CG2-CB 4.05Å; M325-A328 HydrophobicContact CE-CB 4.25Å; M325-A328 HydrophobicContact CG-CB 4.1Å; V326-A328 VanDerWaalsContact C-N 3.28Å; V326-A328 PolarHBondContact O-N 2.94Å; A328-F336 HydrophobicContact CB-CE2 4.25Å; A328-F336 HydrophobicContact CB-CZ 3.99Å; A328-L347 VanDerWaalsContact O-CB 3.27Å; A328-L347 WeakPolarHBondContact O-CB 3.43Å; A328-L347 PolarHBondContact O-N 2.86Å |
| 329 | F | 97.5 | Very high | 96.4 | Very high | 33 Ų | 33 | 40.9 Ų | 40.9 | 15% | 0.145 | 24% | 0.24 | C | C | . | . | G | 310 helix | trans | -100.6 | -3.1 | -178.7 | -55 | -69.2 | 0 | 0 | 0 | 113.7 | N317 L320 S321 M325 V326 D327 L347 V350 | N317-F329 HydrophobicContact CB-CD1 4.16Å; N317-F329 HydrophobicContact CB-CE1 3.98Å; N317-F329 HydrophobicContact CB-CZ 4.31Å; N317-F329 VanDerWaalsContact ND2-CD1 3.32Å; N317-F329 WeakPolarHBondContact ND2-CD1 3.18Å; L320-F329 HydrophobicContact CB-CE2 3.92Å; L320-F329 HydrophobicContact CB-CZ 3.96Å; L320-F329 HydrophobicContact CD1-CZ 4.11Å; S321-F329 WeakPolarHBondContact OG-CD2 3.48Å; M325-F329 HydrophobicContact CB-CE2 4.46Å; M325-F329 HydrophobicContact CE-CD2 4.35Å; M325-F329 HydrophobicContact CE-CE1 4.01Å; M325-F329 HydrophobicContact CE-CE2 3.3Å; M325-F329 HydrophobicContact CE-CZ 3.08Å; M325-F329 HydrophobicContact CG-CE2 4.43Å; M325-F329 WeakPolarHBondContact O-CD2 3.38Å; M325-F329 WeakPolarHBondContact O-CE2 3.48Å; V326-F329 PolarHBondContact O-N 2.76Å; V326-F329 VanDerWaalsContact O-N 3.07Å; D327-F329 PolarHBondContact O-N 2.75Å; D327-F329 VanDerWaalsContact O-N 3.1Å; F329-L347 HydrophobicContact CD1-CB 4.35Å; F329-L347 HydrophobicContact CD1-CG 4.45Å; F329-L347 VanDerWaalsContact CD1-O 3.26Å; F329-L347 WeakPolarHBondContact CD1-O 2.96Å; F329-L347 HydrophobicContact CE1-CB 4.5Å; F329-L347 HydrophobicContact CE1-CD2 3.99Å; F329-L347 HydrophobicContact CE1-CG 4.15Å; F329-V350 HydrophobicContact CE1-CG2 3.82Å; F329-V350 HydrophobicContact CZ-CG2 4.2Å |
| 330 | D | 95.8 | Very high | 96.3 | Very high | 49 Ų | 49 | 39.8 Ų | 39.8 | 26% | 0.262 | 23% | 0.233 | S | C | . | . | trans | -105.7 | 116.5 | -176.1 | -173.8 | -46 | 0 | 0 | 0 | 110.1 | D327 T332 K333 C334 | D327-D330 PolarHBondContact O-N 2.68Å; D327-D330 VanDerWaalsContact O-N 3.08Å; D330-T332 PolarHBondContact O-N 3.3Å; D330-T332 VanDerWaalsContact O-N 3.1Å; D330-T332 WeakPolarHBondContact OD1-CA 3.38Å; D330-T332 WeakPolarHBondContact OD1-CB 3.22Å; D330-T332 PolarHBondContact OD1-N 3.14Å; D330-T332 PolarHBondContact OD1-OG1 2.98Å; D330-K333 HydrophobicContact CB-CB 4.17Å; D330-K333 HydrophobicContact CB-CD 4.48Å; D330-K333 HydrophobicContact CB-CG 4.42Å; D330-K333 PolarHBondContact O-N 3.44Å; D330-K333 PolarHBondContact OD1-N 3.03Å; D330-C334 VanDerWaalsContact O-CB 3.24Å; D330-C334 WeakPolarHBondContact O-CB 3.38Å; D330-C334 PolarHBondContact O-N 3.08Å | ||
| 331 | E | 93.6 | Very high | 95.8 | Very high | 108 Ų | 108 | 44 Ų | 44 | 51% | 0.505 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -27.6 | -178.7 | -176.1 | 171.3 | -161.8 | 0 | 0 | 113.8 | F346 | E331-F346 HydrophobicContact CB-CD1 3.66Å; E331-F346 HydrophobicContact CB-CE1 3.64Å; E331-F346 HydrophobicContact CB-CG 4.27Å; E331-F346 HydrophobicContact CB-CZ 4.25Å; E331-F346 HydrophobicContact CG-CD1 3.8Å; E331-F346 HydrophobicContact CG-CE1 3.73Å |
| 332 | T | 94.2 | Very high | 95.4 | Very high | 124 Ų | 124 | 45.3 Ų | 45.3 | 76% | 0.761 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -21.1 | -175.5 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | D330 | D330-T332 PolarHBondContact O-N 3.3Å; D330-T332 VanDerWaalsContact O-N 3.1Å; D330-T332 WeakPolarHBondContact OD1-CA 3.38Å; D330-T332 WeakPolarHBondContact OD1-CB 3.22Å; D330-T332 PolarHBondContact OD1-N 3.14Å; D330-T332 PolarHBondContact OD1-OG1 2.98Å |
| 333 | K | 95.7 | Very high | 94.9 | Very high | 117 Ų | 117 | 52 Ų | 52 | 51% | 0.509 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.9 | -21.2 | -176.4 | -59.2 | -179.1 | -176 | 174.4 | 0 | 113.9 | D327 D330 D335 | D327-K333 HydrophobicContact CB-CB 3.95Å; D327-K333 WeakPolarHBondContact OD1-CD 3.33Å; D330-K333 HydrophobicContact CB-CB 4.17Å; D330-K333 HydrophobicContact CB-CD 4.48Å; D330-K333 HydrophobicContact CB-CG 4.42Å; D330-K333 PolarHBondContact O-N 3.44Å; D330-K333 PolarHBondContact OD1-N 3.03Å; K333-D335 PolarHBondContact O-N 2.81Å |
| 334 | C | 95.8 | Very high | 94.5 | Very high | 20 Ų | 20 | 51.6 Ų | 51.6 | 14% | 0.135 | 29% | 0.292 | C | S | . | . | trans | -56.6 | 139.2 | -177.7 | 68.9 | 0 | 0 | 0 | 0 | 111.4 | D327 D330 F336 L345 F346 | D327-C334 VanDerWaalsContact O-CA 3.26Å; D327-C334 WeakPolarHBondContact O-CA 3.42Å; D327-C334 VanDerWaalsContact O-CB 3.27Å; D327-C334 WeakPolarHBondContact O-CB 3.33Å; D327-C334 PolarHBondContact O-N 3.27Å; D330-C334 VanDerWaalsContact O-CB 3.24Å; D330-C334 WeakPolarHBondContact O-CB 3.38Å; D330-C334 PolarHBondContact O-N 3.08Å; C334-F336 HydrophobicContact CB-CD2 4.06Å; C334-F336 HydrophobicContact CB-CE2 4.25Å; C334-L345 PolarHBondContact SG-O 3.01Å; C334-F346 HydrophobicContact CB-CB 3.74Å; C334-F346 VanDerWaalsContact SG-CB 3.54Å | ||
| 335 | D | 96.1 | Very high | 94.5 | Very high | 57 Ų | 57 | 50 Ų | 50 | 31% | 0.305 | 27% | 0.274 | S | S | . | . | trans | -126.4 | 90.8 | 168.6 | -169.8 | -9.2 | 0 | 0 | 0 | 109.5 | A74 R75 T78 K333 S337 | A74-D335 CarbonylContact C-O 3.16Å; A74-D335 VanDerWaalsContact CA-O 3.24Å; A74-D335 WeakPolarHBondContact CA-O 3.47Å; R75-D335 HydrophobicContact CB-CB 4.48Å; R75-D335 WeakPolarHBondContact CB-OD2 3.48Å; R75-D335 PolarHBondContact N-O 2.69Å; T78-D335 PolarHBondContact OG1-N 2.95Å; K333-D335 PolarHBondContact O-N 2.81Å; D335-S337 WeakPolarHBondContact OD1-CB 3.36Å; D335-S337 PolarHBondContact OD1-N 2.97Å; D335-S337 PolarHBondContact OD1-OG 2.95Å | ||
| 336 | F | 96.8 | Very high | 94.4 | Very high | 8 Ų | 8 | 51.3 Ų | 51.3 | 4% | 0.035 | 28% | 0.28 | C | S | . | . | trans | -106.9 | 34.1 | 169.4 | -69.7 | -75.5 | 0 | 0 | 0 | 111.5 | A70 G73 A74 T78 I82 M191 A328 C334 G338 M339 S340 L345 L347 | A70-F336 HydrophobicContact CB-CE1 4.47Å; G73-F336 CarbonylContact O-C 3.59Å; G73-F336 VanDerWaalsContact O-C 3.23Å; G73-F336 VanDerWaalsContact O-CA 3.24Å; G73-F336 WeakPolarHBondContact O-CA 3.47Å; A74-F336 HydrophobicContact CB-CD1 4Å; A74-F336 HydrophobicContact CB-CE1 3.92Å; T78-F336 HydrophobicContact CG2-CE1 4.26Å; T78-F336 HydrophobicContact CG2-CE2 4.05Å; T78-F336 HydrophobicContact CG2-CZ 3.89Å; I82-F336 HydrophobicContact CD1-CE1 4.34Å; I82-F336 HydrophobicContact CD1-CZ 4.44Å; M191-F336 HydrophobicContact CE-CD1 4.3Å; M191-F336 HydrophobicContact CE-CD2 4.25Å; M191-F336 HydrophobicContact CE-CE1 4.22Å; M191-F336 HydrophobicContact CE-CE2 4.15Å; M191-F336 HydrophobicContact CE-CG 4.29Å; M191-F336 HydrophobicContact CE-CZ 4.13Å; A328-F336 HydrophobicContact CB-CE2 4.25Å; A328-F336 HydrophobicContact CB-CZ 3.99Å; C334-F336 HydrophobicContact CB-CD2 4.06Å; C334-F336 HydrophobicContact CB-CE2 4.25Å; F336-G338 PolarHBondContact O-N 3.22Å; F336-G338 VanDerWaalsContact O-N 3.17Å; F336-M339 HydrophobicContact CB-CB 4.44Å; F336-M339 HydrophobicContact CB-CG 4.24Å; F336-M339 HydrophobicContact CB-SD 4.22Å; F336-M339 HydrophobicContact CD1-CE 3.5Å; F336-M339 VanDerWaalsContact CD1-CE 3.5Å; F336-M339 HydrophobicContact CD1-CG 4.33Å; F336-M339 HydrophobicContact CD1-SD 3.78Å; F336-M339 HydrophobicContact CE1-CE 3.8Å; F336-M339 HydrophobicContact CE1-SD 4.49Å; F336-M339 HydrophobicContact CG-CE 4.49Å; F336-M339 HydrophobicContact CG-SD 4.24Å; F336-M339 WeakPolarHBondContact O-CB 3.47Å; F336-M339 PolarHBondContact O-N 3.15Å; F336-S340 PolarHBondContact O-N 3.39Å; F336-L345 HydrophobicContact CB-CD2 4.28Å; F336-L345 HydrophobicContact CB-CG 4.47Å; F336-L345 VanDerWaalsContact CD2-O 3.23Å; F336-L345 WeakPolarHBondContact CD2-O 3.43Å; F336-L347 HydrophobicContact CE2-CB 4.34Å; F336-L347 HydrophobicContact CZ-CB 4.34Å | ||
| 337 | S | 96.3 | Very high | 94.4 | Very high | 62 Ų | 62 | 48.5 Ų | 48.5 | 43% | 0.434 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -20.7 | 179.5 | 56 | 0 | 0 | 0 | 0 | 113.7 | R75 D335 M339 | R75-S337 WeakPolarHBondContact CG-OG 3.29Å; D335-S337 WeakPolarHBondContact OD1-CB 3.36Å; D335-S337 PolarHBondContact OD1-N 2.97Å; D335-S337 PolarHBondContact OD1-OG 2.95Å; S337-M339 VanDerWaalsContact C-N 3.29Å |
| 338 | G | 95.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 49 Ų | 49 | 10% | 0.103 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -14.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 114 | G73 F136 F336 | G73-G338 CarbonylContact O-C 3.53Å; G73-G338 VanDerWaalsContact O-CA 3.23Å; G73-G338 WeakPolarHBondContact O-CA 3.29Å; G73-G338 PolarHBondContact O-N 3.33Å; F136-G338 WeakPolarHBondContact CB-O 3.47Å; F336-G338 PolarHBondContact O-N 3.22Å; F336-G338 VanDerWaalsContact O-N 3.17Å |
| 339 | M | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.2 | -41.2 | 174.1 | -60.7 | -171 | 178.5 | 0 | 0 | 112.7 | A70 G73 L124 F132 L133 F136 M191 F336 S337 L345 | A70-M339 HydrophobicContact CB-CE 4.14Å; A70-M339 WeakPolarHBondContact O-CE 3.31Å; G73-M339 PolarHBondContact O-N 3.14Å; L124-M339 HydrophobicContact CD1-CE 4.18Å; F132-M339 CarbonylContact C-O 3.46Å; F132-M339 VanDerWaalsContact CA-O 3.27Å; F132-M339 WeakPolarHBondContact CA-O 3.35Å; L133-M339 PolarHBondContact N-O 3.42Å; F136-M339 HydrophobicContact CD1-CB 4.31Å; F136-M339 HydrophobicContact CD1-CG 4.23Å; F136-M339 HydrophobicContact CD2-CG 3.99Å; F136-M339 HydrophobicContact CE1-CB 4.4Å; F136-M339 HydrophobicContact CE1-CG 4.01Å; F136-M339 HydrophobicContact CE1-SD 4.26Å; F136-M339 HydrophobicContact CE2-CE 3.74Å; F136-M339 HydrophobicContact CE2-CG 3.75Å; F136-M339 HydrophobicContact CE2-SD 4.28Å; F136-M339 HydrophobicContact CG-CB 4.45Å; F136-M339 HydrophobicContact CG-CG 4.22Å; F136-M339 HydrophobicContact CZ-CE 3.64Å; F136-M339 HydrophobicContact CZ-CG 3.77Å; F136-M339 HydrophobicContact CZ-SD 3.86Å; M191-M339 HydrophobicContact CE-CE 4.34Å; M191-M339 HydrophobicContact CE-SD 3.83Å; M191-M339 HydrophobicContact SD-CE 4.46Å; M191-M339 HydrophobicContact SD-SD 3.58Å; F336-M339 HydrophobicContact CB-CB 4.44Å; F336-M339 HydrophobicContact CB-CG 4.24Å; F336-M339 HydrophobicContact CB-SD 4.22Å; F336-M339 HydrophobicContact CD1-CE 3.5Å; F336-M339 VanDerWaalsContact CD1-CE 3.5Å; F336-M339 HydrophobicContact CD1-CG 4.33Å; F336-M339 HydrophobicContact CD1-SD 3.78Å; F336-M339 HydrophobicContact CE1-CE 3.8Å; F336-M339 HydrophobicContact CE1-SD 4.49Å; F336-M339 HydrophobicContact CG-CE 4.49Å; F336-M339 HydrophobicContact CG-SD 4.24Å; F336-M339 WeakPolarHBondContact O-CB 3.47Å; F336-M339 PolarHBondContact O-N 3.15Å; S337-M339 VanDerWaalsContact C-N 3.29Å; M339-L345 HydrophobicContact CB-CD2 3.79Å; M339-L345 HydrophobicContact SD-CD2 4.25Å |
| 340 | S | 94.4 | Very high | 94.2 | Very high | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.014 | 26% | 0.263 | C | S | . | . | B | Isolated β-bridge | trans | -145.5 | 143.8 | -174.7 | -174.7 | 0 | 0 | 0 | 0 | 111.5 | S131 F336 N342 | S131-S340 PolarHBondContact N-OG 2.91Å; S131-S340 VanDerWaalsContact O-CA 3.31Å; S131-S340 WeakPolarHBondContact O-CA 3.44Å; S131-S340 WeakPolarHBondContact O-CB 3.23Å; S131-S340 PolarHBondContact O-OG 2.69Å; F336-S340 PolarHBondContact O-N 3.39Å; S340-N342 PolarHBondContact O-N 2.94Å; S340-N342 PolarHBondContact OG-N 3.17Å |
| 341 | S | 88 | Confident | 94.2 | Very high | 88 Ų | 88 | 45.6 Ų | 45.6 | 62% | 0.615 | 25% | 0.25 | S | S | * | . | S | Bend | trans | -70.7 | -17.6 | 172.1 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | ||
| 342 | N | 89.4 | Confident | 94.3 | Very high | 66 Ų | 66 | 40.4 Ų | 40.4 | 35% | 0.353 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -82.7 | 131.5 | 177.3 | -59.3 | 107 | 0 | 0 | 0 | 110.7 | Y130 S131 S340 | Y130-N342 HydrophobicContact CD1-CB 3.67Å; Y130-N342 HydrophobicContact CE1-CB 4.1Å; S131-N342 PolarHBondContact N-OD1 3.15Å; S340-N342 PolarHBondContact O-N 2.94Å; S340-N342 PolarHBondContact OG-N 3.17Å |
| 343 | K | 86.4 | Confident | 94.4 | Very high | 203 Ų | 203 | 35.4 Ų | 35.4 | 88% | 0.883 | 19% | 0.194 | S | C | * | . | S | Bend | trans | -70.7 | 160.9 | 174.7 | -65.2 | -169.3 | 176.6 | -170.8 | 0 | 112.3 | L345 | K343-L345 VanDerWaalsContact C-N 3.34Š|
| 344 | G | 88.3 | Confident | 94.2 | Very high | 21 Ų | 21 | 29.8 Ų | 29.8 | 22% | 0.216 | 17% | 0.17 | C | C | . | . | trans | 75.9 | 20.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y130 | Y130-G344 PolarHBondContact OH-O 3.35Š| ||
| 345 | L | 95.2 | Very high | 93.9 | Very high | 3 Ų | 3 | 29.2 Ų | 29.2 | 2% | 0.016 | 17% | 0.165 | C | C | . | . | trans | -80.9 | 111 | 163.6 | -178.5 | 66.6 | 0 | 0 | 0 | 107.1 | Y130 F132 K190 M191 C334 F336 M339 K343 | Y130-L345 HydrophobicContact CD1-CB 3.78Å; Y130-L345 HydrophobicContact CD1-CD1 4.05Å; Y130-L345 HydrophobicContact CD1-CG 4.37Å; Y130-L345 HydrophobicContact CD2-CD1 4.35Å; Y130-L345 HydrophobicContact CE1-CB 3.63Å; Y130-L345 HydrophobicContact CE1-CD1 4.22Å; Y130-L345 HydrophobicContact CG-CD1 4.14Å; F132-L345 HydrophobicContact CE1-CD1 4.49Å; F132-L345 HydrophobicContact CE1-CD2 3.95Å; K190-L345 HydrophobicContact CB-CD1 4.29Å; M191-L345 HydrophobicContact CB-CD1 4.08Å; M191-L345 HydrophobicContact SD-CD1 4.45Å; M191-L345 HydrophobicContact SD-CD2 4.47Å; M191-L345 HydrophobicContact SD-CG 4.48Å; C334-L345 PolarHBondContact SG-O 3.01Å; F336-L345 HydrophobicContact CB-CD2 4.28Å; F336-L345 HydrophobicContact CB-CG 4.47Å; F336-L345 VanDerWaalsContact CD2-O 3.23Å; F336-L345 WeakPolarHBondContact CD2-O 3.43Å; M339-L345 HydrophobicContact CB-CD2 3.79Å; M339-L345 HydrophobicContact SD-CD2 4.25Å; K343-L345 VanDerWaalsContact C-N 3.34Å | ||
| 346 | F | 96.3 | Very high | 93.7 | Very high | 29 Ų | 29 | 26.5 Ų | 26.5 | 13% | 0.127 | 15% | 0.15 | C | C | . | . | trans | -127.5 | 161.1 | 175.2 | 68.4 | -82.7 | 0 | 0 | 0 | 110.3 | K190 M191 E331 C334 S348 | K190-F346 HydrophobicContact CB-CD1 4.26Å; K190-F346 HydrophobicContact CB-CE1 4.25Å; K190-F346 HydrophobicContact CG-CD1 3.72Å; K190-F346 HydrophobicContact CG-CE1 3.36Å; K190-F346 HydrophobicContact CG-CZ 4.07Å; M191-F346 WeakPolarHBondContact CB-O 3.17Å; E331-F346 HydrophobicContact CB-CD1 3.66Å; E331-F346 HydrophobicContact CB-CE1 3.64Å; E331-F346 HydrophobicContact CB-CG 4.27Å; E331-F346 HydrophobicContact CB-CZ 4.25Å; E331-F346 HydrophobicContact CG-CD1 3.8Å; E331-F346 HydrophobicContact CG-CE1 3.73Å; C334-F346 HydrophobicContact CB-CB 3.74Å; C334-F346 VanDerWaalsContact SG-CB 3.54Å; F346-S348 PolarHBondContact O-N 3.18Å; F346-S348 VanDerWaalsContact O-N 3.09Å | ||
| 347 | L | 96.6 | Very high | 93.4 | Very high | 2 Ų | 2 | 28.7 Ų | 28.7 | 1% | 0.01 | 16% | 0.161 | C | C | . | . | trans | -77.2 | 97.1 | 177.2 | -170.2 | 57.5 | 0 | 0 | 0 | 108.9 | L124 M191 L193 M325 A328 F329 F336 Q349 V350 | L124-L347 HydrophobicContact CD2-CD1 4.38Å; M191-L347 HydrophobicContact CE-CB 4.16Å; M191-L347 HydrophobicContact CE-CD1 4.05Å; M191-L347 HydrophobicContact CG-CD1 4.26Å; L193-L347 HydrophobicContact CB-CD1 3.82Å; M325-L347 HydrophobicContact CE-CD2 4.37Å; A328-L347 VanDerWaalsContact O-CB 3.27Å; A328-L347 WeakPolarHBondContact O-CB 3.43Å; A328-L347 PolarHBondContact O-N 2.86Å; F329-L347 HydrophobicContact CD1-CB 4.35Å; F329-L347 HydrophobicContact CD1-CG 4.45Å; F329-L347 VanDerWaalsContact CD1-O 3.26Å; F329-L347 WeakPolarHBondContact CD1-O 2.96Å; F329-L347 HydrophobicContact CE1-CB 4.5Å; F329-L347 HydrophobicContact CE1-CD2 3.99Å; F329-L347 HydrophobicContact CE1-CG 4.15Å; F336-L347 HydrophobicContact CE2-CB 4.34Å; F336-L347 HydrophobicContact CZ-CB 4.34Å; L347-Q349 VanDerWaalsContact C-N 3.34Å; L347-V350 HydrophobicContact CD1-CG2 4.25Å; L347-V350 HydrophobicContact CD2-CG2 3.34Å; L347-V350 HydrophobicContact CG-CG2 3.78Å | ||
| 348 | S | 96.9 | Very high | 93.2 | Very high | 27 Ų | 27 | 25.9 Ų | 25.9 | 19% | 0.189 | 14% | 0.141 | C | C | . | . | trans | -69.6 | -34.7 | -179.4 | -52.6 | 0 | 0 | 0 | 0 | 111.9 | K190 M191 N317 F346 | K190-S348 PolarHBondContact N-OG 3.34Å; M191-S348 PolarHBondContact N-OG 3.5Å; M191-S348 WeakPolarHBondContact O-CA 3.29Å; M191-S348 WeakPolarHBondContact O-CB 3.43Å; M191-S348 PolarHBondContact O-N 2.84Å; N317-S348 PolarHBondContact ND2-O 3.04Å; F346-S348 PolarHBondContact O-N 3.18Å; F346-S348 VanDerWaalsContact O-N 3.09Å | ||
| 349 | Q | 94.8 | Very high | 93.1 | Very high | 7 Ų | 7 | 26 Ų | 26 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152 | 141.9 | -177.5 | -166.3 | 173.7 | 28.1 | 0 | 0 | 112.8 | M184 M191 V192 L193 E315 N317 L347 | M184-Q349 PolarHBondContact O-OE1 3.34Å; M191-Q349 PolarHBondContact O-N 2.83Å; V192-Q349 CarbonylContact C-O 3.57Å; V192-Q349 WeakPolarHBondContact CA-O 3.3Å; V192-Q349 HydrophobicContact CG1-CB 4.22Å; V192-Q349 HydrophobicContact CG2-CB 4.27Å; L193-Q349 PolarHBondContact N-O 2.84Å; E315-Q349 PolarHBondContact OE2-NE2 3.16Å; N317-Q349 WeakPolarHBondContact OD1-CA 3.31Å; L347-Q349 VanDerWaalsContact C-N 3.34Å |
| 350 | V | 96.6 | Very high | 93 | Very high | 3 Ų | 3 | 26.2 Ų | 26.2 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 111.2 | 166.7 | -178.2 | 0 | 0 | 0 | 0 | 108.3 | L193 L316 N317 L320 F329 L347 | L193-V350 HydrophobicContact CB-CG1 4.48Å; L193-V350 HydrophobicContact CB-CG2 4.19Å; L193-V350 HydrophobicContact CD2-CG1 4.13Å; L193-V350 HydrophobicContact CD2-CG2 4.31Å; L193-V350 WeakPolarHBondContact O-CA 3.31Å; L316-V350 HydrophobicContact CB-CB 4.12Å; L316-V350 HydrophobicContact CB-CG1 3.92Å; L316-V350 HydrophobicContact CD1-CG1 4.02Å; L316-V350 HydrophobicContact CG-CG1 4.41Å; L316-V350 PolarHBondContact N-O 2.82Å; N317-V350 PolarHBondContact OD1-N 3.13Å; L320-V350 HydrophobicContact CD1-CB 4.4Å; L320-V350 HydrophobicContact CD1-CG1 4.22Å; L320-V350 HydrophobicContact CD1-CG2 4.35Å; F329-V350 HydrophobicContact CE1-CG2 3.82Å; F329-V350 HydrophobicContact CZ-CG2 4.2Å; L347-V350 HydrophobicContact CD1-CG2 4.25Å; L347-V350 HydrophobicContact CD2-CG2 3.34Å; L347-V350 HydrophobicContact CG-CG2 3.78Å |
| 351 | S | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 126.3 | 177.8 | -64.5 | 0 | 0 | 0 | 0 | 109.9 | M179 L193 N195 | M179-S351 VanDerWaalsContact CE-CB 3.48Å; M179-S351 WeakPolarHBondContact CE-O 2.87Å; L193-S351 PolarHBondContact O-N 3.41Å; N195-S351 PolarHBondContact N-O 3.27Å |
| 352 | H | 96 | Very high | 92 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 136.1 | 173.9 | -175.2 | 65.8 | 0 | 0 | 0 | 110.8 | S59 I63 M179 N195 K313 Y314 L316 | S59-H352 PolarHBondContact N-NE2 3.35Å; I63-H352 HydrophobicContact CD1-CB 4.36Å; I63-H352 HydrophobicContact CG1-CB 4.35Å; I63-H352 WeakPolarHBondContact CG1-ND1 3.45Å; M179-H352 VanDerWaalsContact CE-C 3.49Å; N195-H352 VanDerWaalsContact CG-ND1 3.35Å; N195-H352 CarbonylContact O-C 3.55Å; N195-H352 VanDerWaalsContact O-CA 3.3Å; N195-H352 WeakPolarHBondContact O-CA 3.3Å; N195-H352 PolarHBondContact OD1-CE1 2.79Å; N195-H352 PolarHBondContact OD1-ND1 2.79Å; K313-H352 CarbonylContact C-O 3.53Å; K313-H352 WeakPolarHBondContact CA-O 3.4Å; Y314-H352 PolarHBondContact N-O 2.8Å; Y314-H352 PolarHBondContact O-N 3.13Å; L316-H352 HydrophobicContact CD1-CB 3.65Å; L316-H352 HydrophobicContact CG-CB 4.1Å |
| 353 | K | 95.1 | Very high | 90.1 | Very high | 18 Ų | 18 | 24.7 Ų | 24.7 | 8% | 0.078 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 123.5 | 172.7 | -172.9 | 161.4 | 172.8 | 178.5 | 0 | 109.8 | I176 R177 M179 N195 A196 I197 E311 E312 K313 | I176-K353 HydrophobicContact CG2-CB 4.31Å; I176-K353 HydrophobicContact CG2-CD 3.63Å; I176-K353 HydrophobicContact CG2-CG 3.95Å; R177-K353 PolarHBondContact O-NZ 3.14Å; M179-K353 HydrophobicContact CE-CB 3.75Å; M179-K353 HydrophobicContact SD-CB 3.33Å; M179-K353 WeakPolarHBondContact SD-CB 3.43Å; M179-K353 HydrophobicContact SD-CD 4.19Å; M179-K353 HydrophobicContact SD-CG 4.35Å; N195-K353 PolarHBondContact O-N 2.95Å; A196-K353 WeakPolarHBondContact CA-O 3.48Å; I197-K353 PolarHBondContact N-O 3.36Å; E311-K353 WeakPolarHBondContact OE1-CE 3.47Å; E311-K353 IonicContact OE1-NZ 3.22Å; E311-K353 PolarHBondContact OE1-NZ 3.23Å; E312-K353 WeakPolarHBondContact O-CA 2.9Å; K313-K353 HydrophobicContact CB-CD 4.27Å; K313-K353 HydrophobicContact CB-CG 4.28Å; K313-K353 HydrophobicContact CG-CB 4.46Å; K313-K353 HydrophobicContact CG-CD 4.39Å |
| 354 | A | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 144.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111 | F57 I197 E311 E312 | F57-A354 HydrophobicContact CD1-CB 3.59Å; F57-A354 HydrophobicContact CE1-CB 3.62Å; I197-A354 HydrophobicContact CG2-CB 3.78Å; I197-A354 CarbonylContact O-C 3.6Å; I197-A354 WeakPolarHBondContact O-CA 3.17Å; E311-A354 WeakPolarHBondContact CA-O 3.4Å; E312-A354 PolarHBondContact N-O 3.35Å; E312-A354 PolarHBondContact O-N 2.88Å |
| 355 | F | 90.1 | Very high | 85.6 | Confident | 7 Ų | 7 | 27.1 Ų | 27.1 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 134 | 178 | -175.9 | -71.6 | 0 | 0 | 0 | 110.8 | F57 I197 Y198 F199 K309 L310 E311 E357 | F57-F355 VanDerWaalsContact CE1-C 3.43Å; I197-F355 PolarHBondContact O-N 2.78Å; Y198-F355 HydrophobicContact CD2-CB 3.96Å; Y198-F355 AromaticContact CD2-CD1 3.23Å; Y198-F355 HydrophobicContact CD2-CD1 3.23Å; Y198-F355 AromaticContact CD2-CE1 3.83Å; Y198-F355 HydrophobicContact CD2-CE1 3.83Å; Y198-F355 AromaticContact CD2-CG 3.74Å; Y198-F355 HydrophobicContact CD2-CG 3.74Å; Y198-F355 AromaticContact CE2-CD1 3.25Å; Y198-F355 HydrophobicContact CE2-CD1 3.25Å; Y198-F355 AromaticContact CE2-CE1 3.33Å; Y198-F355 HydrophobicContact CE2-CE1 3.33Å; Y198-F355 HydrophobicContact CE2-CG 4.13Å; Y198-F355 HydrophobicContact CE2-CZ 4.19Å; Y198-F355 HydrophobicContact CG-CD1 4.46Å; F199-F355 PolarHBondContact N-O 3.05Å; K309-F355 HydrophobicContact CD-CE1 4.29Å; K309-F355 HydrophobicContact CD-CE2 3.92Å; K309-F355 HydrophobicContact CD-CZ 3.41Å; K309-F355 VanDerWaalsContact CD-CZ 3.41Å; K309-F355 HydrophobicContact CG-CE1 4.15Å; K309-F355 HydrophobicContact CG-CE2 4.06Å; K309-F355 HydrophobicContact CG-CZ 3.63Å; K309-F355 VanDerWaalsContact NZ-CE2 3.33Å; K309-F355 VanDerWaalsContact NZ-CZ 3.3Å; L310-F355 WeakPolarHBondContact O-CA 3.32Å; E311-F355 HydrophobicContact CB-CD2 3.83Å; E311-F355 HydrophobicContact CB-CE2 4.38Å; E311-F355 HydrophobicContact CG-CD2 3.93Å; F355-E357 HydrophobicContact CE1-CB 3.95Å |
| 356 | V | 90.9 | Very high | 82.7 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 141.8 | 169.9 | 58.9 | 0 | 0 | 0 | 0 | 111 | F57 F199 F308 K309 L310 V358 F388 I390 | F57-V356 HydrophobicContact CD1-CB 4.29Å; F57-V356 HydrophobicContact CD1-CG1 3.76Å; F57-V356 HydrophobicContact CD2-CG1 3.86Å; F57-V356 HydrophobicContact CE1-CB 3.57Å; F57-V356 HydrophobicContact CE1-CG1 3.54Å; F57-V356 HydrophobicContact CE2-CB 3.97Å; F57-V356 HydrophobicContact CE2-CG1 3.63Å; F57-V356 HydrophobicContact CG-CG1 3.91Å; F57-V356 HydrophobicContact CZ-CB 3.38Å; F57-V356 HydrophobicContact CZ-CG1 3.48Å; F57-V356 VanDerWaalsContact CZ-CG1 3.48Å; F57-V356 HydrophobicContact CZ-CG2 4.29Å; F199-V356 HydrophobicContact CD1-CG2 4.14Å; F308-V356 HydrophobicContact CE2-CG1 4.37Å; K309-V356 CarbonylContact C-O 3.59Å; K309-V356 VanDerWaalsContact CA-O 3.3Å; K309-V356 WeakPolarHBondContact CA-O 3.45Å; L310-V356 HydrophobicContact CB-CG1 3.87Å; L310-V356 HydrophobicContact CG-CG1 4.41Å; L310-V356 PolarHBondContact N-O 3.29Å; L310-V356 PolarHBondContact O-N 3.4Å; V356-V358 HydrophobicContact CG2-CG2 4.03Å; V356-F388 HydrophobicContact CG1-CZ 4.42Å; V356-I390 HydrophobicContact CG2-CD1 4.45Å |
| 357 | E | 90.5 | Very high | 79.7 | Confident | 54 Ų | 54 | 33 Ų | 33 | 25% | 0.252 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 120.1 | 169 | -176.7 | -177.3 | 160.1 | 0 | 0 | 109.2 | F199 K200 F355 N359 | F199-E357 PolarHBondContact O-N 2.8Å; K200-E357 IonicContact NZ-OE1 3.74Å; F355-E357 HydrophobicContact CE1-CB 3.95Å; E357-N359 PolarHBondContact OE1-ND2 3.32Å |
| 358 | V | 92.9 | Very high | 76.8 | Confident | 3 Ų | 3 | 37.3 Ų | 37.3 | 2% | 0.018 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 114.4 | 175.5 | 171.3 | 0 | 0 | 0 | 0 | 108.4 | W203 M230 M260 L305 R307 F308 V356 | W203-V358 HydrophobicContact CZ2-CG1 3.98Å; M230-V358 HydrophobicContact CE-CG1 3.8Å; M260-V358 HydrophobicContact CE-CG2 3.72Å; L305-V358 HydrophobicContact CD2-CG1 4.15Å; R307-V358 WeakPolarHBondContact CA-O 3.33Å; R307-V358 VanDerWaalsContact CG-O 3.26Å; R307-V358 WeakPolarHBondContact CG-O 3.43Å; F308-V358 HydrophobicContact CD1-CB 4.16Å; F308-V358 HydrophobicContact CD1-CG1 4.35Å; F308-V358 HydrophobicContact CD2-CB 4.26Å; F308-V358 HydrophobicContact CD2-CG2 4.29Å; F308-V358 HydrophobicContact CE1-CB 3.94Å; F308-V358 HydrophobicContact CE1-CG1 4.01Å; F308-V358 HydrophobicContact CE1-CG2 4Å; F308-V358 HydrophobicContact CE2-CB 4.08Å; F308-V358 HydrophobicContact CE2-CG2 3.65Å; F308-V358 HydrophobicContact CG-CB 4.31Å; F308-V358 HydrophobicContact CZ-CB 3.92Å; F308-V358 HydrophobicContact CZ-CG1 4.36Å; F308-V358 HydrophobicContact CZ-CG2 3.49Å; F308-V358 VanDerWaalsContact CZ-CG2 3.49Å; F308-V358 PolarHBondContact N-O 2.86Å; F308-V358 VanDerWaalsContact N-O 3.09Å; F308-V358 PolarHBondContact O-N 3.37Å; V356-V358 HydrophobicContact CG2-CG2 4.03Å |
| 359 | N | 93.1 | Very high | 73.9 | Confident | 13 Ų | 13 | 42.5 Ų | 42.5 | 7% | 0.07 | 27% | 0.274 | C | S | . | . | trans | -142.7 | -172.2 | -179.6 | 69.7 | 28.2 | 0 | 0 | 0 | 110.7 | W203 R307 E357 E361 | W203-N359 PolarHBondContact NE1-O 3.47Å; R307-N359 HydrophobicContact CG-CB 4.25Å; E357-N359 PolarHBondContact OE1-ND2 3.32Å; N359-E361 VanDerWaalsContact C-N 3.28Å; N359-E361 PolarHBondContact O-N 2.96Å; N359-E361 VanDerWaalsContact OD1-CB 3.22Å; N359-E361 WeakPolarHBondContact OD1-CB 3.35Å; N359-E361 WeakPolarHBondContact OD1-CG 3.02Å; N359-E361 PolarHBondContact OD1-N 3.28Å | ||
| 360 | E | 93.2 | Very high | 71.1 | Confident | 5 Ų | 5 | 46.7 Ų | 46.7 | 2% | 0.023 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -74.5 | -14.5 | -174.8 | -69.1 | 84 | 168.9 | 0 | 0 | 114.8 | P206 F207 R209 T212 M230 R307 G362 | P206-E360 WeakPolarHBondContact CB-O 3.24Å; F207-E360 HydrophobicContact CB-CB 3.99Å; F207-E360 HydrophobicContact CB-CG 3.8Å; F207-E360 PolarHBondContact N-O 3.01Å; F207-E360 VanDerWaalsContact N-O 3.14Å; F207-E360 WeakPolarHBondContact O-CB 3.43Å; R209-E360 HydrophobicContact CG-CB 3.86Å; R209-E360 HydrophobicContact CG-CG 3.93Å; T212-E360 WeakPolarHBondContact CB-OE1 3.17Å; T212-E360 WeakPolarHBondContact CG2-OE1 3.5Å; T212-E360 PolarHBondContact OG1-OE1 3.04Å; M230-E360 HydrophobicContact CG-CG 4.04Å; M230-E360 HydrophobicContact SD-CB 4.42Å; M230-E360 VanDerWaalsContact SD-CD 3.58Å; M230-E360 HydrophobicContact SD-CG 3.73Å; M230-E360 PolarHBondContact SD-N 2.68Å; R307-E360 IonicContact CZ-OE1 2.69Å; R307-E360 VanDerWaalsContact CZ-OE1 3.24Å; R307-E360 IonicContact CZ-OE2 3.79Å; R307-E360 IonicContact NE-OE1 2.66Å; R307-E360 PolarHBondContact NE-OE1 3.45Å; R307-E360 VanDerWaalsContact NE-OE1 3.14Å; R307-E360 IonicContact NE-OE2 2.67Å; R307-E360 PolarHBondContact NE-OE2 3.21Å; R307-E360 IonicContact NH2-OE1 3.89Å; R307-E360 PolarHBondContact NH2-OE1 3.09Å; R307-E360 IonicContact NH2-OE2 2.72Å; R307-E360 PolarHBondContact NH2-OE2 3.26Å; E360-G362 PolarHBondContact O-N 2.88Å |
| 361 | E | 86.7 | Confident | 68.5 | Low | 61 Ų | 61 | 51.5 Ų | 51.5 | 29% | 0.285 | 34% | 0.338 | S | S | . | . | trans | -63 | 135.5 | -168.3 | -63.7 | 178.1 | 164.8 | 0 | 0 | 112.1 | K200 K202 W203 R209 N359 | K200-E361 WeakPolarHBondContact CE-OE2 3.42Å; K200-E361 IonicContact NZ-OE1 3.62Å; K200-E361 IonicContact NZ-OE2 2.91Å; K200-E361 PolarHBondContact NZ-OE2 2.97Å; K202-E361 WeakPolarHBondContact CA-O 3.47Å; W203-E361 PolarHBondContact N-O 2.86Å; R209-E361 IonicContact NH2-OE1 3.14Å; R209-E361 PolarHBondContact NH2-OE1 2.92Å; N359-E361 VanDerWaalsContact C-N 3.28Å; N359-E361 PolarHBondContact O-N 2.96Å; N359-E361 VanDerWaalsContact OD1-CB 3.22Å; N359-E361 WeakPolarHBondContact OD1-CB 3.35Å; N359-E361 WeakPolarHBondContact OD1-CG 3.02Å; N359-E361 PolarHBondContact OD1-N 3.28Å | ||
| 362 | G | 74.6 | Confident | 65.8 | Low | 20 Ų | 20 | 59.2 Ų | 59.2 | 21% | 0.206 | 38% | 0.378 | C | S | . | . | B | Isolated β-bridge | trans | -166.6 | -177.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | W203 E360 | W203-G362 CarbonylContact O-C 3.51Å; W203-G362 WeakPolarHBondContact O-CA 3.49Å; E360-G362 PolarHBondContact O-N 2.88Å |
| 363 | T | 50.2 | Low | 63.1 | Low | 42 Ų | 42 | 65.6 Ų | 65.6 | 26% | 0.258 | 42% | 0.417 | S | S | . | . | trans | -82.6 | 117.5 | 177.9 | -42.2 | 0 | 0 | 0 | 0 | 111.2 | W203 P206 E254 A365 | W203-T363 PolarHBondContact O-N 2.85Å; W203-T363 VanDerWaalsContact O-N 3.08Å; P206-T363 WeakPolarHBondContact CD-O 3.45Å; E254-T363 WeakPolarHBondContact CG-OG1 3.45Å; E254-T363 PolarHBondContact OE1-OG1 3.38Å; E254-T363 PolarHBondContact OE2-OG1 2.96Å; T363-A365 VanDerWaalsContact C-N 3.3Å; T363-A365 HydrophobicContact CG2-CB 4.15Å; T363-A365 PolarHBondContact O-N 3.3Å | ||
| 364 | E | 43.8 | Very low | 60.8 | Low | 189 Ų | 189 | 69.3 Ų | 69.3 | 88% | 0.883 | 45% | 0.451 | S | S | * | . | S | Bend | trans | -71.4 | 81.4 | 170.6 | -73.5 | -174.2 | 158.8 | 0 | 0 | 110.5 | ||
| 365 | A | 35.2 | Very low | 58.8 | Low | 86 Ų | 86 | 76.1 Ų | 76.1 | 71% | 0.711 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -139.8 | -4.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | T363 | T363-A365 VanDerWaalsContact C-N 3.3Å; T363-A365 HydrophobicContact CG2-CB 4.15Å; T363-A365 PolarHBondContact O-N 3.3Å |
| 366 | A | 34.8 | Very low | 57.6 | Low | 74 Ų | 74 | 81.6 Ų | 81.6 | 61% | 0.612 | 53% | 0.526 | S | S | * | . | trans | -151.8 | 31 | -173.4 | 0 | 0 | 0 | 0 | 0 | 116.5 | A368 | A366-A368 PolarHBondContact O-N 3.13Š| ||
| 367 | A | 33.9 | Very low | 56.7 | Low | 81 Ų | 81 | 85.2 Ų | 85.2 | 67% | 0.669 | 55% | 0.548 | S | S | * | . | trans | -79.1 | 63.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | T369 | A367-T369 PolarHBondContact O-N 2.87Š| ||
| 368 | A | 35 | Very low | 56.7 | Low | 93 Ų | 93 | 84.1 Ų | 84.1 | 77% | 0.769 | 55% | 0.547 | S | S | * | . | trans | -80.2 | 101.8 | 163 | 0 | 0 | 0 | 0 | 0 | 107.9 | A366 S370 | A366-A368 PolarHBondContact O-N 3.13Å; A368-S370 PolarHBondContact O-N 3.46Å; A368-S370 VanDerWaalsContact O-N 3.08Å | ||
| 369 | T | 36.6 | Very low | 56.8 | Low | 136 Ų | 136 | 90 Ų | 90 | 83% | 0.834 | 57% | 0.57 | S | S | * | * | trans | -72.6 | 93.7 | 171.5 | 13.3 | 0 | 0 | 0 | 0 | 108.5 | A367 S371 | A367-T369 PolarHBondContact O-N 2.87Å; T369-S371 PolarHBondContact O-N 3.48Å | ||
| 370 | S | 34.7 | Very low | 57 | Low | 95 Ų | 95 | 89.5 Ų | 89.5 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | trans | -84.4 | 105 | 160.2 | 61.5 | 0 | 0 | 0 | 0 | 108.4 | A368 | A368-S370 PolarHBondContact O-N 3.46Å; A368-S370 VanDerWaalsContact O-N 3.08Å | ||
| 371 | S | 43.3 | Very low | 57.3 | Low | 105 Ų | 105 | 91.4 Ų | 91.4 | 73% | 0.734 | 58% | 0.579 | S | S | * | * | trans | -66.6 | 135.5 | 155.7 | -53.2 | 0 | 0 | 0 | 0 | 107.3 | T369 | T369-S371 PolarHBondContact O-N 3.48Š| ||
| 372 | L | 38.3 | Very low | 57.8 | Low | 162 Ų | 162 | 88.5 Ų | 88.5 | 85% | 0.848 | 57% | 0.565 | S | S | * | * | trans | 175.8 | 125.4 | 138.3 | -91.1 | 161.2 | 0 | 0 | 0 | 111.5 | ||||
| 373 | V | 40.6 | Very low | 58.9 | Low | 133 Ų | 133 | 89.2 Ų | 89.2 | 81% | 0.806 | 56% | 0.564 | S | S | * | * | trans | 66.3 | 138.6 | 149.3 | -164.8 | 0 | 0 | 0 | 0 | 118.7 | D375 | V373-D375 PolarHBondContact O-N 2.9Š| ||
| 374 | A | 45.3 | Very low | 61.2 | Low | 96 Ų | 96 | 87.4 Ų | 87.4 | 79% | 0.793 | 55% | 0.553 | S | S | * | * | trans | -64.9 | 87 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 375 | D | 51.3 | Low | 63.8 | Low | 144 Ų | 144 | 78.4 Ų | 78.4 | 77% | 0.77 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -83.3 | 149.2 | 140.2 | -76.3 | -29.4 | 0 | 0 | 0 | 108.4 | V373 V377 | V373-D375 PolarHBondContact O-N 2.9Å; D375-V377 PolarHBondContact O-N 2.6Å |
| 376 | S | 64.5 | Low | 66.9 | Low | 121 Ų | 121 | 74.3 Ų | 74.3 | 85% | 0.846 | 48% | 0.477 | S | S | * | . | trans | -52.1 | 111.9 | 175.6 | 52.5 | 0 | 0 | 0 | 0 | 109.4 | S378 | S376-S378 PolarHBondContact O-N 2.9Š| ||
| 377 | V | 72.6 | Confident | 69.9 | Low | 76 Ų | 76 | 70.8 Ų | 70.8 | 46% | 0.461 | 45% | 0.448 | S | S | . | . | trans | -62.5 | 114.3 | -178.1 | -177.2 | 0 | 0 | 0 | 0 | 108.3 | V302 D375 Y379 | V302-V377 HydrophobicContact CG2-CG1 3.64Å; D375-V377 PolarHBondContact O-N 2.6Å; V377-Y379 HydrophobicContact CB-CD2 4.45Å; V377-Y379 HydrophobicContact CB-CE2 3.72Å; V377-Y379 HydrophobicContact CG1-CD2 4.12Å; V377-Y379 HydrophobicContact CG1-CE1 4.27Å; V377-Y379 HydrophobicContact CG1-CE2 3.46Å; V377-Y379 VanDerWaalsContact CG1-CE2 3.46Å; V377-Y379 WeakPolarHBondContact O-CD2 3.39Å; V377-Y379 WeakPolarHBondContact O-CE2 3.46Å | ||
| 378 | S | 89.8 | Confident | 73 | Confident | 32 Ų | 32 | 67 Ų | 67 | 22% | 0.224 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 131.1 | 176.5 | -173 | 0 | 0 | 0 | 0 | 109.7 | R238 V302 S376 | R238-S378 PolarHBondContact NH1-OG 3.06Å; V302-S378 PolarHBondContact N-O 2.86Å; S376-S378 PolarHBondContact O-N 2.9Å |
| 379 | Y | 95.1 | Very high | 76 | Confident | 126 Ų | 126 | 62.5 Ų | 62.5 | 49% | 0.494 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 139.9 | -180 | -71.2 | -89.3 | 0 | 0 | 0 | 110.2 | V302 V377 | V302-Y379 HydrophobicContact CB-CD1 3.62Å; V302-Y379 HydrophobicContact CB-CE1 3.73Å; V302-Y379 HydrophobicContact CB-CG 4.4Å; V302-Y379 HydrophobicContact CG1-CD1 3.78Å; V302-Y379 HydrophobicContact CG1-CE1 3.7Å; V302-Y379 HydrophobicContact CG2-CD1 4.38Å; V302-Y379 HydrophobicContact CG2-CE1 4.07Å; V302-Y379 WeakPolarHBondContact O-CA 3.49Å; V377-Y379 HydrophobicContact CB-CD2 4.45Å; V377-Y379 HydrophobicContact CB-CE2 3.72Å; V377-Y379 HydrophobicContact CG1-CD2 4.12Å; V377-Y379 HydrophobicContact CG1-CE1 4.27Å; V377-Y379 HydrophobicContact CG1-CE2 3.46Å; V377-Y379 VanDerWaalsContact CG1-CE2 3.46Å; V377-Y379 WeakPolarHBondContact O-CD2 3.39Å; V377-Y379 WeakPolarHBondContact O-CE2 3.46Å |
| 380 | F | 97.9 | Very high | 78.8 | Confident | 2 Ų | 2 | 56 Ų | 56 | 1% | 0.009 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 108.5 | 165.2 | -175.4 | -83.9 | 0 | 0 | 0 | 107.7 | E247 L249 I262 L264 I301 V302 V303 K304 A382 | E247-F380 HydrophobicContact CB-CD2 4.23Å; E247-F380 HydrophobicContact CB-CE2 3.85Å; L249-F380 HydrophobicContact CB-CD1 4.18Å; L249-F380 HydrophobicContact CB-CD2 3.87Å; L249-F380 HydrophobicContact CB-CE1 3.95Å; L249-F380 HydrophobicContact CB-CE2 3.62Å; L249-F380 HydrophobicContact CB-CG 4.13Å; L249-F380 HydrophobicContact CB-CZ 3.65Å; L249-F380 HydrophobicContact CD2-CB 4.22Å; L249-F380 HydrophobicContact CD2-CD1 3.48Å; L249-F380 VanDerWaalsContact CD2-CD1 3.48Å; L249-F380 HydrophobicContact CD2-CD2 4.38Å; L249-F380 HydrophobicContact CD2-CE1 3.84Å; L249-F380 HydrophobicContact CD2-CG 3.77Å; L249-F380 HydrophobicContact CD2-CZ 4.41Å; L249-F380 HydrophobicContact CG-CD1 4.42Å; L249-F380 HydrophobicContact CG-CG 4.41Å; I262-F380 HydrophobicContact CB-CE1 4.16Å; I262-F380 HydrophobicContact CB-CZ 4.01Å; I262-F380 HydrophobicContact CD1-CE1 4.3Å; I262-F380 HydrophobicContact CG2-CE1 3.89Å; I262-F380 HydrophobicContact CG2-CZ 3.78Å; L264-F380 HydrophobicContact CB-CE1 4.39Å; L264-F380 HydrophobicContact CB-CE2 4.02Å; L264-F380 HydrophobicContact CB-CZ 3.58Å; L264-F380 HydrophobicContact CD2-CD1 4.41Å; L264-F380 HydrophobicContact CD2-CE1 3.95Å; L264-F380 HydrophobicContact CD2-CE2 4.07Å; L264-F380 HydrophobicContact CD2-CZ 3.77Å; L264-F380 HydrophobicContact CG-CZ 4.33Å; I301-F380 HydrophobicContact CG2-CB 3.86Å; V302-F380 PolarHBondContact O-N 2.68Å; V303-F380 CarbonylContact C-O 3.59Å; V303-F380 WeakPolarHBondContact CA-O 3.37Å; K304-F380 PolarHBondContact N-O 3.05Å; F380-A382 HydrophobicContact CE1-CB 4.27Å |
| 381 | T | 98.1 | Very high | 81.5 | Confident | 45 Ų | 45 | 52 Ų | 52 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 99.9 | -172.3 | -59.8 | 0 | 0 | 0 | 0 | 110.9 | L264 K304 D383 | L264-T381 WeakPolarHBondContact CD2-O 3.39Å; K304-T381 HydrophobicContact CB-CG2 4.06Å; K304-T381 HydrophobicContact CD-CG2 4.07Å; T381-D383 HydrophobicContact CG2-CB 3.87Å; T381-D383 PolarHBondContact O-N 3.22Å |
| 382 | A | 98.5 | Very high | 83.6 | Confident | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 28% | 0.278 | C | S | . | . | trans | -81.2 | 62.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | L264 K304 L305 P306 F380 F386 | L264-A382 HydrophobicContact CD1-CB 4.37Å; L264-A382 HydrophobicContact CD2-CB 4.39Å; K304-A382 PolarHBondContact O-N 3.01Å; L305-A382 HydrophobicContact CD1-CB 4.2Å; P306-A382 WeakPolarHBondContact CD-O 3.2Å; F380-A382 HydrophobicContact CE1-CB 4.27Å; A382-F386 HydrophobicContact CB-CD1 3.87Å; A382-F386 HydrophobicContact CB-CE1 3.9Å | ||
| 383 | D | 98.2 | Very high | 85.8 | Confident | 36 Ų | 36 | 43.7 Ų | 43.7 | 19% | 0.193 | 25% | 0.252 | C | S | . | . | trans | -95.7 | 13.2 | -178.2 | 73.4 | -18.4 | 0 | 0 | 0 | 114.4 | F217 R218 M229 T381 | F217-D383 CarbonylContact C-O 3.59Å; F217-D383 WeakPolarHBondContact CA-O 3.47Å; F217-D383 VanDerWaalsContact CD2-C 3.43Å; R218-D383 IonicContact CZ-OD1 2.83Å; R218-D383 IonicContact CZ-OD2 3.2Å; R218-D383 PolarHBondContact N-O 3.41Å; R218-D383 IonicContact NE-OD1 3.24Å; R218-D383 IonicContact NE-OD2 2.91Å; R218-D383 PolarHBondContact NE-OD2 3.01Å; R218-D383 IonicContact NH2-OD1 3.45Å; R218-D383 PolarHBondContact NH2-OD1 3.21Å; R218-D383 IonicContact NH2-OD2 2.76Å; R218-D383 PolarHBondContact NH2-OD2 3.02Å; M229-D383 HydrophobicContact CE-CB 4.09Å; T381-D383 HydrophobicContact CG2-CB 3.87Å; T381-D383 PolarHBondContact O-N 3.22Å | ||
| 384 | H | 98.5 | Very high | 87.7 | Confident | 4 Ų | 4 | 43.8 Ų | 43.8 | 2% | 0.019 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -155.8 | 173.7 | -179.7 | 64.1 | -80.1 | 0 | 0 | 0 | 110 | F217 R218 L264 P265 I268 F386 | F217-H384 VanDerWaalsContact CE2-N 3.34Å; F217-H384 VanDerWaalsContact CZ-CA 3.43Å; F217-H384 VanDerWaalsContact CZ-O 3.27Å; F217-H384 WeakPolarHBondContact CZ-O 3.2Å; R218-H384 HydrophobicContact CB-CB 4.03Å; R218-H384 PolarHBondContact NH2-ND1 3.44Å; R218-H384 VanDerWaalsContact NH2-ND1 3.13Å; R218-H384 WeakPolarHBondContact O-CA 3.35Å; L264-H384 VanDerWaalsContact CD1-CE1 3.49Å; L264-H384 WeakPolarHBondContact CD1-CE1 3.45Å; P265-H384 PolarHBondContact O-CE1 2.84Å; P265-H384 VanDerWaalsContact O-CE1 3.27Å; P265-H384 PolarHBondContact O-NE2 3.37Å; I268-H384 HydrophobicContact CD1-CB 3.89Å; I268-H384 HydrophobicContact CG1-CB 4.07Å; H384-F386 WeakPolarHBondContact O-CD1 3.41Å; H384-F386 PolarHBondContact O-N 2.76Å |
| 385 | P | 98.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 21% | 0.211 | C | C | . | . | trans | -58.4 | 136.8 | -167.2 | -28.4 | 38.6 | 0 | 0 | 0 | 113.9 | F217 R218 P265 T273 L275 F404 | F217-P385 HydrophobicContact CE1-CG 4.35Å; R218-P385 VanDerWaalsContact O-CD 3.32Å; R218-P385 WeakPolarHBondContact O-CD 3.4Å; P265-P385 WeakPolarHBondContact CD-O 3.1Å; T273-P385 HydrophobicContact CG2-CB 4.41Å; T273-P385 HydrophobicContact CG2-CG 4.23Å; T273-P385 WeakPolarHBondContact O-CB 3.33Å; T273-P385 WeakPolarHBondContact O-CD 2.83Å; T273-P385 WeakPolarHBondContact O-CG 3.19Å; L275-P385 HydrophobicContact CD1-CB 3.71Å; L275-P385 HydrophobicContact CG-CB 4.04Å; P385-F404 WeakPolarHBondContact CA-O 3.26Å | ||
| 386 | F | 98.7 | Very high | 91 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 156.1 | -179.6 | 58.2 | -96.8 | 0 | 0 | 0 | 111.4 | F217 I262 F263 L264 L305 P306 F308 A382 H384 F388 F404 | F217-F386 HydrophobicContact CE2-CE1 4.27Å; I262-F386 HydrophobicContact CG2-CB 4.05Å; I262-F386 HydrophobicContact CG2-CD2 3.74Å; I262-F386 HydrophobicContact CG2-CE2 4.38Å; I262-F386 HydrophobicContact CG2-CG 3.93Å; F263-F386 WeakPolarHBondContact O-CA 3.33Å; F263-F386 WeakPolarHBondContact O-CB 3.46Å; L264-F386 HydrophobicContact CB-CB 4.48Å; L264-F386 HydrophobicContact CD1-CB 3.9Å; L264-F386 HydrophobicContact CD1-CD1 4.49Å; L305-F386 HydrophobicContact CD1-CZ 4.16Å; P306-F386 HydrophobicContact CG-CE1 3.78Å; P306-F386 HydrophobicContact CG-CZ 3.98Å; F308-F386 HydrophobicContact CE1-CE2 4.47Å; F308-F386 AromaticContact CE1-CZ 4Å; F308-F386 HydrophobicContact CE1-CZ 4Å; A382-F386 HydrophobicContact CB-CD1 3.87Å; A382-F386 HydrophobicContact CB-CE1 3.9Å; H384-F386 WeakPolarHBondContact O-CD1 3.41Å; H384-F386 PolarHBondContact O-N 2.76Å; F386-F388 HydrophobicContact CD2-CB 4.17Å; F386-F388 HydrophobicContact CD2-CD1 4.24Å; F386-F388 HydrophobicContact CE2-CB 4.15Å; F386-F388 AromaticContact CE2-CD1 3.88Å; F386-F388 HydrophobicContact CE2-CD1 3.88Å; F386-F388 HydrophobicContact CE2-CG 4.32Å; F386-F404 HydrophobicContact CD1-CB 4.48Å; F386-F404 HydrophobicContact CD1-CD1 4.29Å; F386-F404 HydrophobicContact CD2-CB 4.19Å; F386-F404 HydrophobicContact CE1-CB 4.02Å; F386-F404 AromaticContact CE1-CD1 3.45Å; F386-F404 HydrophobicContact CE1-CD1 3.45Å; F386-F404 VanDerWaalsContact CE1-CD1 3.45Å; F386-F404 HydrophobicContact CE1-CE1 4.27Å; F386-F404 HydrophobicContact CE1-CG 4.06Å; F386-F404 HydrophobicContact CE2-CB 3.69Å; F386-F404 HydrophobicContact CE2-CG 4.36Å; F386-F404 HydrophobicContact CZ-CB 3.59Å; F386-F404 AromaticContact CZ-CD1 3.61Å; F386-F404 HydrophobicContact CZ-CD1 3.61Å; F386-F404 HydrophobicContact CZ-CE1 4.5Å; F386-F404 AromaticContact CZ-CG 3.76Å; F386-F404 HydrophobicContact CZ-CG 3.76Å; F386-F404 PolarHBondContact N-O 3.12Å; F386-F404 PolarHBondContact O-N 2.88Å |
| 387 | L | 98.6 | Very high | 92 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 147 | 163.6 | -54.7 | -179.8 | 0 | 0 | 0 | 109.1 | L44 F263 L275 L278 E279 L282 F389 G402 R403 | L44-L387 HydrophobicContact CD2-CD1 4.27Å; L44-L387 HydrophobicContact CD2-CD2 4.28Å; F263-L387 HydrophobicContact CB-CB 4.24Å; F263-L387 PolarHBondContact N-O 2.92Å; F263-L387 PolarHBondContact O-N 2.86Å; L275-L387 HydrophobicContact CD1-CD2 4.27Å; L275-L387 HydrophobicContact CD2-CD2 4.47Å; L275-L387 HydrophobicContact CD2-CG 4.19Å; L278-L387 HydrophobicContact CD2-CD1 3.88Å; L278-L387 HydrophobicContact CD2-CG 4.05Å; L278-L387 HydrophobicContact CG-CD1 4.08Å; E279-L387 HydrophobicContact CG-CD1 4.24Å; L282-L387 HydrophobicContact CD2-CD1 3.77Å; L387-F389 HydrophobicContact CB-CE2 3.9Å; L387-F389 HydrophobicContact CB-CZ 4.31Å; L387-F389 HydrophobicContact CD1-CZ 4.49Å; L387-G402 CarbonylContact C-O 3.58Å; L387-G402 WeakPolarHBondContact CA-O 3.37Å; L387-R403 HydrophobicContact CD2-CB 3.71Å; L387-R403 HydrophobicContact CD2-CG 3.75Å |
| 388 | F | 98.4 | Very high | 93 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 148.9 | 172.9 | 70.8 | -83.4 | 0 | 0 | 0 | 111.7 | F57 M260 L261 F308 L310 V356 F386 G402 F404 | F57-F388 AromaticContact CD2-CE2 3.85Å; F57-F388 HydrophobicContact CD2-CE2 3.85Å; F57-F388 AromaticContact CD2-CZ 3.53Å; F57-F388 HydrophobicContact CD2-CZ 3.53Å; F57-F388 AromaticContact CE2-CE2 3.7Å; F57-F388 HydrophobicContact CE2-CE2 3.7Å; F57-F388 AromaticContact CE2-CZ 3.87Å; F57-F388 HydrophobicContact CE2-CZ 3.87Å; M260-F388 HydrophobicContact CE-CD2 4.04Å; M260-F388 HydrophobicContact CG-CB 4.42Å; M260-F388 HydrophobicContact SD-CB 4.41Å; M260-F388 HydrophobicContact SD-CD2 4.44Å; L261-F388 CarbonylContact O-C 3.55Å; L261-F388 WeakPolarHBondContact O-CA 3.23Å; F308-F388 HydrophobicContact CE2-CE1 4.39Å; F308-F388 HydrophobicContact CE2-CZ 4.15Å; F308-F388 HydrophobicContact CZ-CE1 4.35Å; F308-F388 HydrophobicContact CZ-CZ 4.34Å; L310-F388 HydrophobicContact CD1-CE1 4.03Å; L310-F388 HydrophobicContact CD1-CZ 3.96Å; V356-F388 HydrophobicContact CG1-CZ 4.42Å; F386-F388 HydrophobicContact CD2-CB 4.17Å; F386-F388 HydrophobicContact CD2-CD1 4.24Å; F386-F388 HydrophobicContact CE2-CB 4.15Å; F386-F388 AromaticContact CE2-CD1 3.88Å; F386-F388 HydrophobicContact CE2-CD1 3.88Å; F386-F388 HydrophobicContact CE2-CG 4.32Å; F388-G402 PolarHBondContact N-O 3.33Å; F388-G402 PolarHBondContact O-N 2.94Å; F388-F404 HydrophobicContact CE1-CB 4.4Å |
| 389 | F | 98.2 | Very high | 93 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 133.9 | -178.1 | -56.7 | -90.9 | 0 | 0 | 0 | 109.5 | L41 L44 M260 L261 F263 L282 F287 L387 I398 F400 A401 | L41-F389 HydrophobicContact CD2-CE1 4.08Å; L41-F389 HydrophobicContact CD2-CZ 4.07Å; L44-F389 HydrophobicContact CD2-CZ 4.49Å; M260-F389 CarbonylContact C-O 3.45Å; M260-F389 WeakPolarHBondContact CA-O 3.45Å; L261-F389 HydrophobicContact CB-CB 4.43Å; L261-F389 PolarHBondContact N-O 2.95Å; L261-F389 PolarHBondContact O-N 3.25Å; F263-F389 AromaticContact CD2-CD2 3.72Å; F263-F389 HydrophobicContact CD2-CD2 3.72Å; F263-F389 AromaticContact CD2-CE2 3.78Å; F263-F389 HydrophobicContact CD2-CE2 3.78Å; F263-F389 AromaticContact CE2-CD2 3.58Å; F263-F389 HydrophobicContact CE2-CD2 3.58Å; F263-F389 AromaticContact CE2-CE2 3.83Å; F263-F389 HydrophobicContact CE2-CE2 3.83Å; F263-F389 HydrophobicContact CG-CE2 4.31Å; F263-F389 HydrophobicContact CZ-CD2 4.4Å; F263-F389 HydrophobicContact CZ-CE2 4.35Å; L282-F389 HydrophobicContact CD2-CE2 4.38Å; L282-F389 HydrophobicContact CD2-CZ 3.96Å; F287-F389 HydrophobicContact CD2-CE2 4.44Å; F287-F389 HydrophobicContact CD2-CZ 4.49Å; F287-F389 HydrophobicContact CE2-CB 4.41Å; F287-F389 HydrophobicContact CE2-CD1 4.02Å; F287-F389 AromaticContact CE2-CD2 3.65Å; F287-F389 HydrophobicContact CE2-CD2 3.65Å; F287-F389 HydrophobicContact CE2-CE1 4.16Å; F287-F389 AromaticContact CE2-CE2 3.81Å; F287-F389 HydrophobicContact CE2-CE2 3.81Å; F287-F389 AromaticContact CE2-CG 3.75Å; F287-F389 HydrophobicContact CE2-CG 3.75Å; F287-F389 HydrophobicContact CE2-CZ 4.06Å; F287-F389 HydrophobicContact CZ-CB 4.31Å; F287-F389 HydrophobicContact CZ-CD1 4.48Å; F287-F389 HydrophobicContact CZ-CD2 4.34Å; F287-F389 HydrophobicContact CZ-CG 4.13Å; L387-F389 HydrophobicContact CB-CE2 3.9Å; L387-F389 HydrophobicContact CB-CZ 4.31Å; L387-F389 HydrophobicContact CD1-CZ 4.49Å; F389-I398 HydrophobicContact CB-CG2 4.45Å; F389-I398 HydrophobicContact CD1-CD1 3.97Å; F389-I398 HydrophobicContact CD1-CG2 4Å; F389-I398 HydrophobicContact CE1-CD1 4.44Å; F389-F400 CarbonylContact C-O 3.59Å; F389-F400 VanDerWaalsContact CA-O 3.28Å; F389-F400 WeakPolarHBondContact CA-O 3.2Å; F389-A401 HydrophobicContact CD1-CB 3.71Å; F389-A401 HydrophobicContact CE1-CB 3.78Å |
| 390 | I | 94.8 | Very high | 93 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 117.9 | 171.1 | -57.6 | 173.4 | 0 | 0 | 0 | 107.2 | F199 Y253 S259 M260 V356 L399 F400 | F199-I390 HydrophobicContact CD1-CD1 3.6Å; F199-I390 HydrophobicContact CE1-CD1 3.57Å; F199-I390 HydrophobicContact CE2-CG2 4.24Å; F199-I390 HydrophobicContact CG-CD1 4.22Å; F199-I390 HydrophobicContact CZ-CD1 4.14Å; F199-I390 HydrophobicContact CZ-CG2 4.11Å; Y253-I390 HydrophobicContact CE2-CG2 4.13Å; S259-I390 CarbonylContact O-C 3.51Å; S259-I390 WeakPolarHBondContact O-CA 3.18Å; M260-I390 HydrophobicContact CE-CD1 4.36Å; M260-I390 HydrophobicContact CE-CG1 4.29Å; V356-I390 HydrophobicContact CG2-CD1 4.45Å; I390-L399 WeakPolarHBondContact O-CA 3.46Å; I390-L399 WeakPolarHBondContact O-CB 3.42Å; I390-L399 PolarHBondContact O-N 3.39Å; I390-F400 HydrophobicContact CB-CB 4.04Å; I390-F400 HydrophobicContact CB-CD2 3.98Å; I390-F400 HydrophobicContact CB-CG 4.48Å; I390-F400 HydrophobicContact CD1-CB 4.2Å; I390-F400 HydrophobicContact CD1-CD2 4.11Å; I390-F400 HydrophobicContact CD1-CG 4.35Å; I390-F400 HydrophobicContact CG1-CB 4.28Å; I390-F400 HydrophobicContact CG2-CD2 4.25Å; I390-F400 PolarHBondContact N-O 3.47Å; I390-F400 PolarHBondContact O-N 2.96Å |
| 391 | R | 91.1 | Very high | 93 | Very high | 11 Ų | 11 | 19.9 Ų | 19.9 | 4% | 0.042 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 142 | -169.4 | -171.4 | -177.6 | 67 | 177 | -5.3 | 111 | E250 L258 S259 L261 T291 R393 K396 T397 | E250-R391 IonicContact OE1-NH2 2.6Å; E250-R391 PolarHBondContact OE1-NH2 2.95Å; E250-R391 VanDerWaalsContact OE1-NH2 3.14Å; L258-R391 WeakPolarHBondContact CA-O 3.27Å; S259-R391 PolarHBondContact N-O 3.05Å; S259-R391 PolarHBondContact O-N 3.47Å; L261-R391 HydrophobicContact CD1-CB 4.48Å; T291-R391 PolarHBondContact OG1-NH1 3.42Å; R391-R393 PolarHBondContact O-N 3.37Å; R391-K396 VanDerWaalsContact CD-O 3.31Å; R391-K396 WeakPolarHBondContact CD-O 3.26Å; R391-K396 WeakPolarHBondContact CG-O 3.25Å; R391-T397 WeakPolarHBondContact CA-O 3.34Å; R391-T397 WeakPolarHBondContact CG-O 3.22Å |
| 392 | N | 87.5 | Confident | 92.9 | Very high | 9 Ų | 9 | 17.8 Ų | 17.8 | 5% | 0.048 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 120.6 | 163.3 | -179.6 | -40 | 0 | 0 | 0 | 109.1 | E105 L258 I394 T395 K396 T397 | E105-N392 PolarHBondContact OE2-ND2 2.8Å; L258-N392 HydrophobicContact CD2-CB 4.04Å; N392-I394 VanDerWaalsContact C-N 3.29Å; N392-I394 PolarHBondContact O-N 2.72Å; N392-I394 WeakPolarHBondContact OD1-CA 3.42Å; N392-I394 WeakPolarHBondContact OD1-CB 3.33Å; N392-I394 PolarHBondContact OD1-N 3.01Å; N392-T395 WeakPolarHBondContact CB-OG1 3.46Å; N392-T395 PolarHBondContact OD1-N 3.21Å; N392-T395 VanDerWaalsContact OD1-N 3.07Å; N392-K396 CarbonylContact O-C 3.57Å; N392-K396 WeakPolarHBondContact O-CA 3.04Å; N392-K396 PolarHBondContact O-N 3.17Å; N392-T397 PolarHBondContact N-O 3.14Å |
| 393 | R | 84.6 | Confident | 92.9 | Very high | 83 Ų | 83 | 17.8 Ų | 17.8 | 31% | 0.313 | 8% | 0.083 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.8 | -23.6 | -174.4 | -70.3 | -176.9 | 65.8 | -110.3 | 1.8 | 113.4 | E250 K256 A257 S259 R391 K396 | E250-R393 IonicContact OE1-NE 2.79Å; E250-R393 IonicContact OE2-NE 3.41Å; K256-R393 VanDerWaalsContact O-CD 3.32Å; K256-R393 WeakPolarHBondContact O-CD 3.29Å; K256-R393 PolarHBondContact O-NH1 2.65Å; A257-R393 PolarHBondContact O-N 2.82Å; S259-R393 VanDerWaalsContact OG-CG 3.27Å; S259-R393 WeakPolarHBondContact OG-CG 3.3Å; R391-R393 PolarHBondContact O-N 3.37Å; R393-K396 WeakPolarHBondContact O-CD 2.87Å; R393-K396 VanDerWaalsContact O-CE 3.3Å; R393-K396 WeakPolarHBondContact O-CE 3.47Å; R393-K396 PolarHBondContact O-NZ 3.45Å |
| 394 | I | 81.1 | Confident | 92.9 | Very high | 134 Ų | 134 | 16.1 Ų | 16.1 | 69% | 0.687 | 7% | 0.074 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -60.8 | 178.4 | -57.7 | 175.3 | 0 | 0 | 0 | 109 | N392 K396 | N392-I394 VanDerWaalsContact C-N 3.29Å; N392-I394 PolarHBondContact O-N 2.72Å; N392-I394 WeakPolarHBondContact OD1-CA 3.42Å; N392-I394 WeakPolarHBondContact OD1-CB 3.33Å; N392-I394 PolarHBondContact OD1-N 3.01Å; I394-K396 PolarHBondContact O-N 2.92Å |
| 395 | T | 79.1 | Confident | 92.8 | Very high | 9 Ų | 9 | 16 Ų | 16 | 6% | 0.055 | 7% | 0.074 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -10 | -175.6 | 69.9 | 0 | 0 | 0 | 0 | 113.4 | S33 N392 T397 | S33-T395 VanDerWaalsContact CB-O 3.31Å; S33-T395 WeakPolarHBondContact CB-O 3.27Å; S33-T395 PolarHBondContact OG-O 3.21Å; N392-T395 WeakPolarHBondContact CB-OG1 3.46Å; N392-T395 PolarHBondContact OD1-N 3.21Å; N392-T395 VanDerWaalsContact OD1-N 3.07Å; T395-T397 WeakPolarHBondContact CB-OG1 3.22Å; T395-T397 PolarHBondContact O-N 3.48Å; T395-T397 VanDerWaalsContact O-N 3.09Å; T395-T397 WeakPolarHBondContact OG1-CB 3.39Å; T395-T397 PolarHBondContact OG1-N 3.05Å; T395-T397 PolarHBondContact OG1-OG1 2.86Å |
| 396 | K | 86.8 | Confident | 92.7 | Very high | 80 Ų | 80 | 17 Ų | 17 | 35% | 0.348 | 8% | 0.081 | S | C | . | . | trans | 60 | 9.4 | -171.2 | -52.4 | -57.5 | -176.1 | -168.1 | 0 | 114.3 | S33 R391 N392 R393 I394 I398 | S33-K396 PolarHBondContact OG-O 3.01Å; R391-K396 VanDerWaalsContact CD-O 3.31Å; R391-K396 WeakPolarHBondContact CD-O 3.26Å; R391-K396 WeakPolarHBondContact CG-O 3.25Å; N392-K396 CarbonylContact O-C 3.57Å; N392-K396 WeakPolarHBondContact O-CA 3.04Å; N392-K396 PolarHBondContact O-N 3.17Å; R393-K396 WeakPolarHBondContact O-CD 2.87Å; R393-K396 VanDerWaalsContact O-CE 3.3Å; R393-K396 WeakPolarHBondContact O-CE 3.47Å; R393-K396 PolarHBondContact O-NZ 3.45Å; I394-K396 PolarHBondContact O-N 2.92Å; K396-I398 PolarHBondContact O-N 3.04Å | ||
| 397 | T | 86.1 | Confident | 92.4 | Very high | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.006 | 11% | 0.105 | C | C | . | . | trans | -72.9 | 128.6 | -175.9 | -50.2 | 0 | 0 | 0 | 0 | 111.2 | S33 N36 F61 R391 N392 T395 L399 | S33-T397 PolarHBondContact OG-N 3.32Å; N36-T397 HydrophobicContact CB-CG2 4.49Å; F61-T397 HydrophobicContact CB-CG2 4.48Å; F61-T397 HydrophobicContact CD2-CG2 3.71Å; F61-T397 HydrophobicContact CE2-CG2 4.41Å; F61-T397 HydrophobicContact CG-CG2 4.38Å; R391-T397 WeakPolarHBondContact CA-O 3.34Å; R391-T397 WeakPolarHBondContact CG-O 3.22Å; N392-T397 PolarHBondContact N-O 3.14Å; T395-T397 WeakPolarHBondContact CB-OG1 3.22Å; T395-T397 PolarHBondContact O-N 3.48Å; T395-T397 VanDerWaalsContact O-N 3.09Å; T395-T397 WeakPolarHBondContact OG1-CB 3.39Å; T395-T397 PolarHBondContact OG1-N 3.05Å; T395-T397 PolarHBondContact OG1-OG1 2.86Å; T397-L399 PolarHBondContact O-N 2.8Å | ||
| 398 | I | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 114.2 | 169.3 | -58.9 | 178.4 | 0 | 0 | 0 | 108.9 | N36 T37 P60 F61 F287 F389 K396 F400 A401 | N36-I398 PolarHBondContact ND2-O 2.94Å; T37-I398 HydrophobicContact CG2-CD1 3.87Å; P60-I398 HydrophobicContact CG-CB 4.29Å; P60-I398 HydrophobicContact CG-CG2 3.73Å; F61-I398 WeakPolarHBondContact CB-O 3.46Å; F287-I398 HydrophobicContact CD1-CD1 4.39Å; F287-I398 HydrophobicContact CE1-CD1 3.8Å; F287-I398 HydrophobicContact CE1-CG1 4.15Å; F287-I398 HydrophobicContact CE2-CD1 3.95Å; F287-I398 HydrophobicContact CZ-CD1 3.57Å; F287-I398 HydrophobicContact CZ-CG1 4.01Å; F389-I398 HydrophobicContact CB-CG2 4.45Å; F389-I398 HydrophobicContact CD1-CD1 3.97Å; F389-I398 HydrophobicContact CD1-CG2 4Å; F389-I398 HydrophobicContact CE1-CD1 4.44Å; K396-I398 PolarHBondContact O-N 3.04Å; I398-F400 VanDerWaalsContact CG2-O 3.25Å; I398-F400 WeakPolarHBondContact CG2-O 3.23Å; I398-A401 HydrophobicContact CG2-CB 4.36Å |
| 399 | L | 91 | Very high | 91.8 | Very high | 5 Ų | 5 | 22.9 Ų | 22.9 | 3% | 0.026 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -38.1 | 175 | -61 | -178.6 | 0 | 0 | 0 | 111.4 | S59 F61 L258 I390 T397 | S59-L399 VanDerWaalsContact CA-O 3.3Å; S59-L399 WeakPolarHBondContact CA-O 3.46Å; S59-L399 VanDerWaalsContact CB-O 3.27Å; S59-L399 WeakPolarHBondContact CB-O 3.27Å; S59-L399 PolarHBondContact OG-O 2.84Å; F61-L399 HydrophobicContact CB-CD2 4.14Å; F61-L399 HydrophobicContact CD1-CD2 3.95Å; F61-L399 HydrophobicContact CG-CD2 3.93Å; L258-L399 HydrophobicContact CD1-CD1 4.31Å; L258-L399 HydrophobicContact CD2-CD1 3.58Å; I390-L399 WeakPolarHBondContact O-CA 3.46Å; I390-L399 WeakPolarHBondContact O-CB 3.42Å; I390-L399 PolarHBondContact O-N 3.39Å; T397-L399 PolarHBondContact O-N 2.8Å |
| 400 | F | 94.7 | Very high | 91.4 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 145.9 | 177.6 | -59.6 | -91.8 | 0 | 0 | 0 | 110.7 | F57 F58 L118 I197 F199 F389 I390 I398 | F57-F400 AromaticContact CE1-CD1 3.94Å; F57-F400 HydrophobicContact CE1-CD1 3.94Å; F57-F400 HydrophobicContact CE1-CE1 4.37Å; F57-F400 HydrophobicContact CE2-CB 3.72Å; F57-F400 AromaticContact CE2-CD1 3.99Å; F57-F400 HydrophobicContact CE2-CD1 3.99Å; F57-F400 HydrophobicContact CE2-CG 4.19Å; F57-F400 HydrophobicContact CZ-CB 3.87Å; F57-F400 AromaticContact CZ-CD1 3.27Å; F57-F400 HydrophobicContact CZ-CD1 3.27Å; F57-F400 HydrophobicContact CZ-CE1 4Å; F57-F400 AromaticContact CZ-CG 3.8Å; F57-F400 HydrophobicContact CZ-CG 3.8Å; F58-F400 WeakPolarHBondContact O-CA 3.4Å; L118-F400 HydrophobicContact CD1-CE2 3.79Å; L118-F400 HydrophobicContact CD1-CZ 3.54Å; I197-F400 HydrophobicContact CB-CE1 4.39Å; I197-F400 HydrophobicContact CD1-CE1 3.61Å; I197-F400 HydrophobicContact CD1-CE2 4.31Å; I197-F400 HydrophobicContact CD1-CZ 3.37Å; I197-F400 HydrophobicContact CG1-CE1 3.7Å; I197-F400 HydrophobicContact CG1-CZ 3.57Å; I197-F400 HydrophobicContact CG2-CE1 3.9Å; F199-F400 HydrophobicContact CB-CD2 4.39Å; F199-F400 HydrophobicContact CB-CE1 4.11Å; F199-F400 HydrophobicContact CB-CE2 3.67Å; F199-F400 HydrophobicContact CB-CZ 3.49Å; F199-F400 VanDerWaalsContact CB-CZ 3.49Å; F199-F400 HydrophobicContact CD2-CD2 4.47Å; F199-F400 AromaticContact CD2-CE2 3.79Å; F199-F400 HydrophobicContact CD2-CE2 3.79Å; F199-F400 HydrophobicContact CD2-CZ 4.4Å; F199-F400 HydrophobicContact CG-CD2 4.43Å; F199-F400 AromaticContact CG-CE2 3.9Å; F199-F400 HydrophobicContact CG-CE2 3.9Å; F199-F400 HydrophobicContact CG-CZ 4.24Å; F389-F400 CarbonylContact C-O 3.59Å; F389-F400 VanDerWaalsContact CA-O 3.28Å; F389-F400 WeakPolarHBondContact CA-O 3.2Å; I390-F400 HydrophobicContact CB-CB 4.04Å; I390-F400 HydrophobicContact CB-CD2 3.98Å; I390-F400 HydrophobicContact CB-CG 4.48Å; I390-F400 HydrophobicContact CD1-CB 4.2Å; I390-F400 HydrophobicContact CD1-CD2 4.11Å; I390-F400 HydrophobicContact CD1-CG 4.35Å; I390-F400 HydrophobicContact CG1-CB 4.28Å; I390-F400 HydrophobicContact CG2-CD2 4.25Å; I390-F400 PolarHBondContact N-O 3.47Å; I390-F400 PolarHBondContact O-N 2.96Å; I398-F400 VanDerWaalsContact CG2-O 3.25Å; I398-F400 WeakPolarHBondContact CG2-O 3.23Å |
| 401 | A | 97.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 141.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | S40 F58 F389 I398 | S40-A401 WeakPolarHBondContact OG-CB 3.43Å; F58-A401 HydrophobicContact CE1-CB 4.14Å; F58-A401 HydrophobicContact CE2-CB 4.21Å; F58-A401 HydrophobicContact CZ-CB 3.85Å; F58-A401 PolarHBondContact N-O 2.97Å; F58-A401 PolarHBondContact O-N 2.79Å; F389-A401 HydrophobicContact CD1-CB 3.71Å; F389-A401 HydrophobicContact CE1-CB 3.78Å; I398-A401 HydrophobicContact CG2-CB 4.36Å |
| 402 | G | 96.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 164.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | I56 L387 F388 | I56-G402 CarbonylContact O-C 3.52Å; I56-G402 WeakPolarHBondContact O-CA 3.35Å; L387-G402 CarbonylContact C-O 3.58Å; L387-G402 WeakPolarHBondContact CA-O 3.37Å; F388-G402 PolarHBondContact N-O 3.33Å; F388-G402 PolarHBondContact O-N 2.94Å |
| 403 | R | 97.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 125.6 | 172.8 | -179.6 | 176.6 | 70.8 | -171.9 | 0.6 | 107.5 | S48 N51 N52 A54 N55 I56 L275 E279 L387 C405 | S48-R403 PolarHBondContact OG-NH1 3.29Å; N51-R403 PolarHBondContact O-NH2 2.86Å; N52-R403 VanDerWaalsContact O-CZ 3.31Å; N52-R403 PolarHBondContact O-NH1 2.89Å; A54-R403 PolarHBondContact O-NE 3.04Å; A54-R403 PolarHBondContact O-NH2 3.22Å; N55-R403 VanDerWaalsContact CA-O 3.29Å; N55-R403 WeakPolarHBondContact CA-O 3.33Å; I56-R403 HydrophobicContact CB-CB 4.13Å; I56-R403 PolarHBondContact N-O 2.67Å; I56-R403 PolarHBondContact O-N 3.44Å; L275-R403 HydrophobicContact CD1-CG 3.56Å; E279-R403 IonicContact OE1-NH1 3.95Å; E279-R403 PolarHBondContact OE1-NH1 2.76Å; L387-R403 HydrophobicContact CD2-CB 3.71Å; L387-R403 HydrophobicContact CD2-CG 3.75Å; R403-C405 VanDerWaalsContact CD-SG 3.54Å; R403-C405 VanDerWaalsContact CG-SG 3.51Å; R403-C405 PolarHBondContact NE-SG 3.32Å |
| 404 | F | 97.9 | Very high | 91.9 | Very high | 1 Ų | 1 | 23.7 Ų | 23.7 | 0% | 0.004 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 104.4 | 176.6 | -174.8 | -98.4 | 0 | 0 | 0 | 108.7 | F217 P306 F308 L310 P385 F386 F388 S406 P407 | F217-F404 HydrophobicContact CD2-CE1 4.09Å; F217-F404 HydrophobicContact CE1-CE1 4.33Å; F217-F404 AromaticContact CE2-CD1 3.79Å; F217-F404 HydrophobicContact CE2-CD1 3.79Å; F217-F404 AromaticContact CE2-CE1 3.54Å; F217-F404 HydrophobicContact CE2-CE1 3.54Å; F217-F404 AromaticContact CZ-CD1 3.62Å; F217-F404 HydrophobicContact CZ-CD1 3.62Å; F217-F404 AromaticContact CZ-CE1 3.66Å; F217-F404 HydrophobicContact CZ-CE1 3.66Å; P306-F404 HydrophobicContact CB-CE1 4.1Å; P306-F404 HydrophobicContact CB-CZ 4.27Å; P306-F404 HydrophobicContact CG-CD1 4.21Å; P306-F404 HydrophobicContact CG-CE1 3.74Å; P306-F404 HydrophobicContact CG-CZ 4.3Å; F308-F404 HydrophobicContact CB-CD2 4.24Å; F308-F404 HydrophobicContact CB-CE2 3.46Å; F308-F404 VanDerWaalsContact CB-CE2 3.46Å; F308-F404 HydrophobicContact CB-CZ 3.94Å; F308-F404 HydrophobicContact CD1-CD2 4.13Å; F308-F404 AromaticContact CD1-CE2 3.97Å; F308-F404 HydrophobicContact CD1-CE2 3.97Å; F308-F404 HydrophobicContact CD1-CZ 4.26Å; F308-F404 HydrophobicContact CD2-CD2 4.15Å; F308-F404 HydrophobicContact CD2-CE2 4.21Å; F308-F404 AromaticContact CG-CD2 3.93Å; F308-F404 HydrophobicContact CG-CD2 3.93Å; F308-F404 AromaticContact CG-CE2 3.63Å; F308-F404 HydrophobicContact CG-CE2 3.63Å; F308-F404 HydrophobicContact CG-CZ 4.26Å; L310-F404 HydrophobicContact CD1-CD2 4.38Å; L310-F404 HydrophobicContact CD2-CD2 4.32Å; P385-F404 WeakPolarHBondContact CA-O 3.26Å; F386-F404 HydrophobicContact CD1-CB 4.48Å; F386-F404 HydrophobicContact CD1-CD1 4.29Å; F386-F404 HydrophobicContact CD2-CB 4.19Å; F386-F404 HydrophobicContact CE1-CB 4.02Å; F386-F404 AromaticContact CE1-CD1 3.45Å; F386-F404 HydrophobicContact CE1-CD1 3.45Å; F386-F404 VanDerWaalsContact CE1-CD1 3.45Å; F386-F404 HydrophobicContact CE1-CE1 4.27Å; F386-F404 HydrophobicContact CE1-CG 4.06Å; F386-F404 HydrophobicContact CE2-CB 3.69Å; F386-F404 HydrophobicContact CE2-CG 4.36Å; F386-F404 HydrophobicContact CZ-CB 3.59Å; F386-F404 AromaticContact CZ-CD1 3.61Å; F386-F404 HydrophobicContact CZ-CD1 3.61Å; F386-F404 HydrophobicContact CZ-CE1 4.5Å; F386-F404 AromaticContact CZ-CG 3.76Å; F386-F404 HydrophobicContact CZ-CG 3.76Å; F386-F404 PolarHBondContact N-O 3.12Å; F386-F404 PolarHBondContact O-N 2.88Å; F388-F404 HydrophobicContact CE1-CB 4.4Å; F404-S406 WeakPolarHBondContact CE2-O 2.97Å; F404-P407 HydrophobicContact CZ-CB 4.02Å |
| 405 | C | 97.3 | Very high | 92.8 | Very high | 3 Ų | 3 | 15.2 Ų | 15.2 | 2% | 0.02 | 9% | 0.085 | C | C | . | . | trans | -105.6 | -24.6 | -179.5 | -69.2 | 0 | 0 | 0 | 0 | 113.1 | T53 N55 F217 L219 T273 R403 | T53-C405 WeakPolarHBondContact O-CB 3.42Å; N55-C405 PolarHBondContact OD1-N 3.24Å; F217-C405 WeakPolarHBondContact CE1-O 3.44Å; L219-C405 WeakPolarHBondContact CD2-O 3.45Å; T273-C405 HydrophobicContact CG2-CB 4.35Å; R403-C405 VanDerWaalsContact CD-SG 3.54Å; R403-C405 VanDerWaalsContact CG-SG 3.51Å; R403-C405 PolarHBondContact NE-SG 3.32Å | ||
| 406 | S | 95.6 | Very high | 93.9 | Very high | 20 Ų | 20 | 15.8 Ų | 15.8 | 14% | 0.14 | 9% | 0.088 | C | C | . | . | trans | -147.7 | 139.9 | 178.5 | 178.4 | 0 | 0 | 0 | 0 | 110.8 | N55 K225 F404 | N55-S406 PolarHBondContact ND2-O 2.7Å; N55-S406 PolarHBondContact OD1-N 2.68Å; N55-S406 VanDerWaalsContact OD1-N 3.09Å; N55-S406 PolarHBondContact OD1-O 2.8Å; K225-S406 PolarHBondContact NZ-OG 2.92Å; F404-S406 WeakPolarHBondContact CE2-O 2.97Å | ||
| 407 | P | 92.8 | Very high | 94.6 | Very high | 78 Ų | 78 | 9.9 Ų | 9.9 | 51% | 0.506 | 6% | 0.064 | S | C | . | . | trans | -65.8 | 0 | 163.8 | 32.6 | -37 | 0 | 0 | 0 | 112.9 | F217 K225 V227 F404 | F217-P407 HydrophobicContact CB-CG 4.33Å; K225-P407 HydrophobicContact CB-CG 3.87Å; V227-P407 HydrophobicContact CB-CB 3.84Å; V227-P407 HydrophobicContact CB-CG 4.06Å; V227-P407 HydrophobicContact CG2-CB 3.58Å; V227-P407 HydrophobicContact CG2-CG 4.33Å; F404-P407 HydrophobicContact CZ-CB 4.02Å |
Retrieved 407 of 407 residues in 849.6 ms
(Link to these results)