| 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 | 33.9 | Very low | 63.5 | Low | 223 Ų | 223 | 82.5 Ų | 82.5 | 100% | 1.099 | 45% | 0.447 | S | S | * | . | 0 | 131.5 | 0 | -87.1 | 177.3 | -110.4 | 0 | 0 | 107.2 | L3 | M1-L3 PolarHBondContact O-N 3.18Š| |||
| 2 | S | 37.4 | Very low | 63.5 | Low | 120 Ų | 120 | 84.4 Ų | 84.4 | 84% | 0.839 | 46% | 0.457 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 117.6 | 172.3 | 178 | 0 | 0 | 0 | 0 | 107.8 | T4 | S2-T4 PolarHBondContact O-N 2.82Š|
| 3 | L | 51.7 | Low | 63.4 | Low | 106 Ų | 106 | 79.1 Ų | 79.1 | 56% | 0.555 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 129 | 167.9 | -90.6 | 128 | 0 | 0 | 0 | 108.6 | M1 S5 F7 Y85 | M1-L3 PolarHBondContact O-N 3.18Å; L3-S5 PolarHBondContact O-N 3.49Å; L3-F7 HydrophobicContact CD2-CB 4.32Å; L3-F7 HydrophobicContact CD2-CD2 4.13Å; L3-Y85 HydrophobicContact CD2-CD2 3.34Å; L3-Y85 HydrophobicContact CD2-CE2 3.27Å; L3-Y85 HydrophobicContact CD2-CG 4.28Å |
| 4 | T | 62.2 | Low | 63.9 | Low | 35 Ų | 35 | 75.9 Ų | 75.9 | 22% | 0.215 | 41% | 0.414 | C | S | . | . | P | Polyproline II helix | trans | -58.4 | 134.7 | 170.5 | 37.3 | 0 | 0 | 0 | 0 | 108.5 | S2 A6 F7 Y78 | S2-T4 PolarHBondContact O-N 2.82Å; T4-A6 PolarHBondContact O-N 3.06Å; T4-A6 VanDerWaalsContact O-N 3.08Å; T4-F7 PolarHBondContact O-N 2.97Å; T4-F7 WeakPolarHBondContact OG1-CG 3.48Å; T4-Y78 HydrophobicContact CG2-CE1 3.65Å |
| 5 | S | 65.4 | Low | 64.8 | Low | 94 Ų | 94 | 73.5 Ų | 73.5 | 66% | 0.657 | 41% | 0.414 | S | S | * | . | G | 310 helix | trans | -55.4 | -26.9 | 176.3 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | L3 F7 R8 | L3-S5 PolarHBondContact O-N 3.49Å; S5-F7 VanDerWaalsContact C-N 3.3Å; S5-F7 PolarHBondContact O-N 2.94Å; S5-R8 VanDerWaalsContact O-CB 3.28Å; S5-R8 WeakPolarHBondContact O-CB 3.21Å; S5-R8 WeakPolarHBondContact O-CG 3.44Å; S5-R8 PolarHBondContact O-N 3.23Å; S5-R8 VanDerWaalsContact O-N 3.17Å |
| 6 | A | 68.7 | Low | 66.2 | Low | 13 Ų | 13 | 72.1 Ų | 72.1 | 11% | 0.107 | 40% | 0.404 | C | S | . | . | G | 310 helix | trans | -59.3 | -33 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | T4 R8 A9 L26 | T4-A6 PolarHBondContact O-N 3.06Å; T4-A6 VanDerWaalsContact O-N 3.08Å; A6-R8 PolarHBondContact O-N 3.18Å; A6-A9 PolarHBondContact O-N 3.41Å; A6-L26 HydrophobicContact CB-CB 3.65Å; A6-L26 HydrophobicContact CB-CD1 4.09Å |
| 7 | F | 81.1 | Confident | 67.6 | Low | 8 Ų | 8 | 69.7 Ų | 69.7 | 4% | 0.035 | 39% | 0.39 | C | S | . | . | G | 310 helix | trans | -73.4 | -9.2 | 178.9 | -67.5 | -4 | 0 | 0 | 0 | 113.1 | L3 T4 S5 A9 V10 L26 Y78 Q81 L82 Y85 | L3-F7 HydrophobicContact CD2-CB 4.32Å; L3-F7 HydrophobicContact CD2-CD2 4.13Å; T4-F7 PolarHBondContact O-N 2.97Å; T4-F7 WeakPolarHBondContact OG1-CG 3.48Å; S5-F7 VanDerWaalsContact C-N 3.3Å; S5-F7 PolarHBondContact O-N 2.94Å; F7-A9 PolarHBondContact O-N 2.7Å; F7-V10 VanDerWaalsContact O-CB 3.32Å; F7-V10 WeakPolarHBondContact O-CB 3.43Å; F7-V10 PolarHBondContact O-N 3.12Å; F7-V10 VanDerWaalsContact O-N 3.08Å; F7-L26 HydrophobicContact CD1-CD1 4.24Å; F7-L26 HydrophobicContact CE1-CD1 3.62Å; F7-Y78 HydrophobicContact CZ-CD1 4.46Å; F7-Q81 HydrophobicContact CE2-CB 3.94Å; F7-Q81 HydrophobicContact CZ-CB 3.91Å; F7-L82 HydrophobicContact CD1-CD1 4.08Å; F7-L82 HydrophobicContact CE1-CB 4.04Å; F7-L82 HydrophobicContact CE1-CD1 4.04Å; F7-L82 HydrophobicContact CE2-CB 4.47Å; F7-L82 HydrophobicContact CG-CD1 4.42Å; F7-L82 HydrophobicContact CZ-CB 3.82Å; F7-L82 HydrophobicContact CZ-CD1 4.35Å; F7-Y85 HydrophobicContact CB-CD1 4.34Å; F7-Y85 HydrophobicContact CB-CE1 4.24Å; F7-Y85 HydrophobicContact CD2-CD1 4.32Å; F7-Y85 HydrophobicContact CD2-CG 4.04Å |
| 8 | R | 73.7 | Confident | 69.1 | Low | 219 Ų | 219 | 66 Ų | 66 | 83% | 0.826 | 37% | 0.369 | S | S | * | . | G | 310 helix | trans | -67 | -18.3 | 170.9 | -63.1 | -179.6 | 178.8 | -179.7 | -0.6 | 113.1 | S5 A6 V10 | S5-R8 VanDerWaalsContact O-CB 3.28Å; S5-R8 WeakPolarHBondContact O-CB 3.21Å; S5-R8 WeakPolarHBondContact O-CG 3.44Å; S5-R8 PolarHBondContact O-N 3.23Å; S5-R8 VanDerWaalsContact O-N 3.17Å; A6-R8 PolarHBondContact O-N 3.18Å; R8-V10 VanDerWaalsContact C-N 3.26Å |
| 9 | A | 72.9 | Confident | 70.4 | Confident | 34 Ų | 34 | 62.6 Ų | 62.6 | 28% | 0.281 | 35% | 0.35 | S | S | . | . | G | 310 helix | trans | -81.2 | -6.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A6 F7 I17 W19 L28 | A6-A9 PolarHBondContact O-N 3.41Å; F7-A9 PolarHBondContact O-N 2.7Å; A9-I17 WeakPolarHBondContact O-CD1 3.38Å; A9-W19 HydrophobicContact CB-CZ2 4.31Å; A9-L28 HydrophobicContact CB-CD1 4.25Å; A9-L28 HydrophobicContact CB-CD2 4.45Å |
| 10 | V | 78.8 | Confident | 71.7 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 9% | 0.091 | 33% | 0.333 | C | S | . | . | trans | -87.4 | 115 | -179.9 | 177.2 | 0 | 0 | 0 | 0 | 109 | F7 R8 W19 L46 L82 Y85 L86 | F7-V10 VanDerWaalsContact O-CB 3.32Å; F7-V10 WeakPolarHBondContact O-CB 3.43Å; F7-V10 PolarHBondContact O-N 3.12Å; F7-V10 VanDerWaalsContact O-N 3.08Å; R8-V10 VanDerWaalsContact C-N 3.26Å; V10-W19 HydrophobicContact CG2-CH2 3.78Å; V10-W19 HydrophobicContact CG2-CZ2 4.04Å; V10-L46 HydrophobicContact CB-CD2 4.42Å; V10-L46 HydrophobicContact CG1-CD2 3.7Å; V10-L46 HydrophobicContact CG2-CD2 4.12Å; V10-L82 HydrophobicContact CG1-CD1 4.35Å; V10-L82 HydrophobicContact CG2-CD1 3.64Å; V10-Y85 HydrophobicContact CB-CD1 4.49Å; V10-Y85 HydrophobicContact CB-CE1 3.95Å; V10-Y85 HydrophobicContact CG1-CD1 4.26Å; V10-Y85 HydrophobicContact CG1-CE1 3.95Å; V10-L86 HydrophobicContact CG1-CD1 4.37Å; V10-L86 HydrophobicContact CG1-CD2 3.55Å; V10-L86 HydrophobicContact CG1-CG 4.24Å | ||
| 11 | D | 72.4 | Confident | 72.7 | Confident | 40 Ų | 40 | 56.7 Ų | 56.7 | 21% | 0.214 | 32% | 0.317 | C | S | . | . | trans | -122.4 | -172.7 | 176.9 | 56.3 | 38.3 | 0 | 0 | 0 | 110.6 | D13 E382 | D11-D13 VanDerWaalsContact C-N 3.29Å; D11-D13 WeakPolarHBondContact OD1-CB 3.45Å; D11-D13 PolarHBondContact OD1-N 2.67Å; D11-E382 HydrophobicContact CB-CG 4.08Å | ||
| 12 | N | 63.6 | Low | 75.3 | Confident | 106 Ų | 106 | 49 Ų | 49 | 57% | 0.567 | 28% | 0.278 | S | S | * | . | S | Bend | trans | -95.9 | 25.1 | -179.4 | -86.1 | -25.7 | 0 | 0 | 0 | 111.8 | L55 | N12-L55 HydrophobicContact CB-CD1 3.45Å; N12-L55 VanDerWaalsContact CB-CD1 3.45Å; N12-L55 WeakPolarHBondContact O-CD1 3.33Å; N12-L55 WeakPolarHBondContact O-CD2 3.32Å |
| 13 | D | 62.6 | Low | 77.7 | Confident | 15 Ų | 15 | 52 Ų | 52 | 8% | 0.08 | 28% | 0.276 | C | S | . | . | trans | -101.6 | 136.4 | -169.5 | -63.1 | -8 | 0 | 0 | 0 | 114.4 | D11 G15 T48 E382 Q386 | D11-D13 VanDerWaalsContact C-N 3.29Å; D11-D13 WeakPolarHBondContact OD1-CB 3.45Å; D11-D13 PolarHBondContact OD1-N 2.67Å; D13-G15 PolarHBondContact O-N 3.33Å; D13-T48 WeakPolarHBondContact O-CB 3.27Å; D13-T48 WeakPolarHBondContact O-CG2 2.91Å; D13-E382 WeakPolarHBondContact OD2-CA 3.45Å; D13-E382 WeakPolarHBondContact OD2-CB 3.13Å; D13-E382 WeakPolarHBondContact OD2-CG 3.35Å; D13-Q386 HydrophobicContact CB-CG 3.51Å; D13-Q386 PolarHBondContact OD1-NE2 2.95Å | ||
| 14 | P | 70.4 | Confident | 79.3 | Confident | 35 Ų | 35 | 50.6 Ų | 50.6 | 23% | 0.227 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -57.1 | 126.9 | 169.6 | -31.3 | 38.5 | 0 | 0 | 0 | 113.8 | T48 R50 L55 | P14-T48 CarbonylContact C-O 3.47Å; P14-T48 WeakPolarHBondContact CA-O 3.29Å; P14-R50 HydrophobicContact CG-CB 3.51Å; P14-L55 HydrophobicContact CG-CD2 4.4Å |
| 15 | G | 76.6 | Confident | 80.5 | Confident | 40 Ų | 40 | 55.6 Ų | 55.6 | 41% | 0.412 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 161.7 | -172.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | D13 S47 T48 | D13-G15 PolarHBondContact O-N 3.33Å; G15-S47 WeakPolarHBondContact O-CA 3.38Å; G15-T48 PolarHBondContact N-O 2.83Å; G15-T48 PolarHBondContact O-N 3.43Å |
| 16 | I | 87.4 | Confident | 81.7 | Confident | 50 Ų | 50 | 52.1 Ų | 52.1 | 26% | 0.256 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 136.7 | 170.1 | 62.1 | 171.9 | 0 | 0 | 0 | 110.2 | L46 Y107 F108 | I16-L46 CarbonylContact C-O 3.53Å; I16-L46 VanDerWaalsContact CA-O 3.29Å; I16-L46 WeakPolarHBondContact CA-O 3.44Å; I16-Y107 HydrophobicContact CG2-CD1 4.1Å; I16-Y107 HydrophobicContact CG2-CG 4.15Å; I16-F108 HydrophobicContact CD1-CE1 4Å |
| 17 | I | 91.2 | Very high | 82.7 | Confident | 32 Ų | 32 | 52.8 Ų | 52.8 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 128.5 | 171.6 | -49.2 | 172.8 | 0 | 0 | 0 | 107.5 | A9 W19 L28 I45 L46 | A9-I17 WeakPolarHBondContact O-CD1 3.38Å; I17-W19 HydrophobicContact CB-CE3 4.46Å; I17-W19 HydrophobicContact CB-CH2 3.57Å; I17-W19 HydrophobicContact CB-CZ2 4.08Å; I17-W19 HydrophobicContact CB-CZ3 3.79Å; I17-W19 HydrophobicContact CD1-CH2 3.99Å; I17-W19 HydrophobicContact CD1-CZ2 4.39Å; I17-W19 HydrophobicContact CG1-CH2 4.4Å; I17-W19 HydrophobicContact CG2-CD2 4.03Å; I17-W19 HydrophobicContact CG2-CE3 4.06Å; I17-W19 HydrophobicContact CG2-CH2 3.33Å; I17-W19 HydrophobicContact CG2-CZ2 3.29Å; I17-W19 HydrophobicContact CG2-CZ3 3.73Å; I17-L28 HydrophobicContact CG2-CD2 3.64Å; I17-I45 CarbonylContact O-C 3.56Å; I17-I45 WeakPolarHBondContact O-CA 3.21Å; I17-L46 HydrophobicContact CD1-CD2 4.46Å; I17-L46 PolarHBondContact N-O 3.23Å; I17-L46 PolarHBondContact O-N 3.35Å |
| 18 | V | 93.3 | Very high | 83 | Confident | 3 Ų | 3 | 57.4 Ų | 57.4 | 2% | 0.018 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 125 | -177.6 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | V29 Y43 I45 | V18-V29 HydrophobicContact CB-CB 4.15Å; V18-V29 HydrophobicContact CG1-CB 3.89Å; V18-V29 HydrophobicContact CG1-CG1 4.44Å; V18-V29 HydrophobicContact CG1-CG2 3.83Å; V18-V29 WeakPolarHBondContact O-CB 3.47Å; V18-V29 PolarHBondContact O-N 2.82Å; V18-Y43 HydrophobicContact CG1-CD1 4.13Å; V18-I45 HydrophobicContact CB-CG1 4.41Å; V18-I45 HydrophobicContact CG1-CG1 4.13Å; V18-I45 HydrophobicContact CG2-CG1 4Å; V18-I45 HydrophobicContact CG2-CG2 4.04Å |
| 19 | W | 95.3 | Very high | 83.6 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 0% | 0.004 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.1 | 171.3 | -62.3 | -89.1 | 0 | 0 | 0 | 110.2 | A9 V10 I17 L26 A27 L28 Y43 V44 L46 L82 | A9-W19 HydrophobicContact CB-CZ2 4.31Å; V10-W19 HydrophobicContact CG2-CH2 3.78Å; V10-W19 HydrophobicContact CG2-CZ2 4.04Å; I17-W19 HydrophobicContact CB-CE3 4.46Å; I17-W19 HydrophobicContact CB-CH2 3.57Å; I17-W19 HydrophobicContact CB-CZ2 4.08Å; I17-W19 HydrophobicContact CB-CZ3 3.79Å; I17-W19 HydrophobicContact CD1-CH2 3.99Å; I17-W19 HydrophobicContact CD1-CZ2 4.39Å; I17-W19 HydrophobicContact CG1-CH2 4.4Å; I17-W19 HydrophobicContact CG2-CD2 4.03Å; I17-W19 HydrophobicContact CG2-CE3 4.06Å; I17-W19 HydrophobicContact CG2-CH2 3.33Å; I17-W19 HydrophobicContact CG2-CZ2 3.29Å; I17-W19 HydrophobicContact CG2-CZ3 3.73Å; W19-L26 HydrophobicContact CB-CB 4.2Å; W19-L26 HydrophobicContact CB-CD2 3.59Å; W19-L26 HydrophobicContact CB-CG 4.44Å; W19-L26 HydrophobicContact CG-CB 4.18Å; W19-L26 HydrophobicContact CG-CD2 4.11Å; W19-A27 CarbonylContact C-O 3.6Å; W19-A27 VanDerWaalsContact CA-O 3.23Å; W19-A27 WeakPolarHBondContact CA-O 3.23Å; W19-L28 HydrophobicContact CD2-CD2 4.5Å; W19-L28 HydrophobicContact CG-CD2 4.41Å; W19-L28 HydrophobicContact CZ2-CD2 4.45Å; W19-L28 VanDerWaalsContact NE1-CD2 3.28Å; W19-Y43 CarbonylContact O-C 3.58Å; W19-Y43 WeakPolarHBondContact O-CA 3.46Å; W19-Y43 VanDerWaalsContact O-CB 3.3Å; W19-Y43 WeakPolarHBondContact O-CB 3.32Å; W19-Y43 WeakPolarHBondContact O-CD1 3.12Å; W19-V44 HydrophobicContact CE3-CG1 4.38Å; W19-V44 PolarHBondContact N-O 2.91Å; W19-V44 PolarHBondContact O-N 3.1Å; W19-L46 HydrophobicContact CH2-CB 4.18Å; W19-L46 HydrophobicContact CZ3-CB 3.78Å; W19-L82 HydrophobicContact CZ3-CD2 4.27Å |
| 20 | R | 94.7 | Very high | 83.8 | Confident | 2 Ų | 2 | 48.4 Ų | 48.4 | 1% | 0.008 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 140.1 | 168.7 | -175.8 | 175.7 | 177.5 | -149.1 | 9.9 | 108.6 | E22 A27 V29 D41 Y43 G118 V119 M123 | R20-E22 HydrophobicContact CB-CG 4.29Å; R20-E22 WeakPolarHBondContact CD-OE1 3.22Å; R20-E22 HydrophobicContact CG-CG 3.94Å; R20-E22 IonicContact CZ-OE1 3.93Å; R20-E22 IonicContact NE-OE1 3.22Å; R20-E22 IonicContact NH1-OE1 2.73Å; R20-E22 PolarHBondContact NH1-OE1 2.88Å; R20-E22 PolarHBondContact O-N 2.95Å; R20-A27 PolarHBondContact N-O 2.96Å; R20-A27 PolarHBondContact O-N 3.09Å; R20-V29 HydrophobicContact CB-CG2 3.79Å; R20-D41 IonicContact CZ-OD2 3.97Å; R20-D41 IonicContact NE-OD2 3.38Å; R20-D41 PolarHBondContact NE-OD2 3.42Å; R20-D41 IonicContact NH2-OD1 3.18Å; R20-D41 IonicContact NH2-OD2 3.63Å; R20-D41 PolarHBondContact NH2-OD2 2.9Å; R20-Y43 HydrophobicContact CB-CD1 3.79Å; R20-Y43 HydrophobicContact CB-CE1 3.56Å; R20-Y43 WeakPolarHBondContact CD-OH 3.46Å; R20-Y43 HydrophobicContact CG-CD1 4.15Å; R20-Y43 HydrophobicContact CG-CE1 3.62Å; R20-Y43 HydrophobicContact CG-CE2 4.4Å; R20-Y43 PolarHBondContact NE-OH 2.85Å; R20-G118 VanDerWaalsContact NH2-C 3.35Å; R20-V119 VanDerWaalsContact CZ-CG2 3.47Å; R20-V119 VanDerWaalsContact NH2-N 3.18Å; R20-M123 PolarHBondContact NH1-O 2.73Å; R20-M123 PolarHBondContact NH2-O 3.08Å |
| 21 | I | 93.3 | Very high | 83.7 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 108.9 | 169.5 | -56.7 | -59.1 | 0 | 0 | 0 | 107.7 | E25 L26 C42 V44 E71 C74 A75 Y78 | I21-E25 WeakPolarHBondContact CA-O 3.4Å; I21-L26 HydrophobicContact CD1-CD2 3.67Å; I21-C42 HydrophobicContact CB-CB 4.42Å; I21-C42 HydrophobicContact CG1-CB 3.98Å; I21-C42 WeakPolarHBondContact CG1-O 3.21Å; I21-C42 PolarHBondContact N-O 2.87Å; I21-V44 HydrophobicContact CD1-CG2 4.3Å; I21-E71 HydrophobicContact CG2-CB 4.29Å; I21-E71 HydrophobicContact CG2-CG 4.06Å; I21-C74 HydrophobicContact CG2-CB 4.19Å; I21-A75 HydrophobicContact CD1-CB 4.33Å; I21-A75 HydrophobicContact CG1-CB 4.03Å; I21-Y78 HydrophobicContact CD1-CD2 3.75Å; I21-Y78 HydrophobicContact CD1-CE2 4.27Å |
| 22 | E | 89.4 | Confident | 83.6 | Confident | 60 Ų | 60 | 59.8 Ų | 59.8 | 28% | 0.28 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 114.8 | 175.5 | -62.4 | -163.2 | 171 | 0 | 0 | 109.2 | R20 M24 E25 A27 V119 | R20-E22 HydrophobicContact CB-CG 4.29Å; R20-E22 WeakPolarHBondContact CD-OE1 3.22Å; R20-E22 HydrophobicContact CG-CG 3.94Å; R20-E22 IonicContact CZ-OE1 3.93Å; R20-E22 IonicContact NE-OE1 3.22Å; R20-E22 IonicContact NH1-OE1 2.73Å; R20-E22 PolarHBondContact NH1-OE1 2.88Å; R20-E22 PolarHBondContact O-N 2.95Å; E22-M24 PolarHBondContact O-N 3Å; E22-E25 PolarHBondContact N-O 3.19Å; E22-E25 PolarHBondContact O-N 2.9Å; E22-A27 HydrophobicContact CB-CB 4.04Å; E22-A27 HydrophobicContact CG-CB 3.78Å; E22-V119 HydrophobicContact CB-CG2 4.28Å; E22-V119 HydrophobicContact CG-CG2 3.82Å |
| 23 | K | 86.5 | Confident | 84.1 | Confident | 185 Ų | 185 | 55.3 Ų | 55.3 | 80% | 0.804 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 42.4 | -178.9 | -56.2 | -179.9 | 179.7 | -178.8 | 0 | 113 | E25 V119 | K23-E25 PolarHBondContact O-N 2.81Å; K23-V119 HydrophobicContact CG-CG1 4.42Å |
| 24 | M | 86.5 | Confident | 85 | Confident | 75 Ų | 75 | 56.4 Ų | 56.4 | 37% | 0.369 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 18.4 | -178.3 | -49.7 | -59.1 | 160.9 | 0 | 0 | 115.2 | E22 D70 E71 C74 Y78 | E22-M24 PolarHBondContact O-N 3Å; M24-D70 HydrophobicContact CE-CB 3.33Å; M24-D70 HydrophobicContact SD-CB 4.22Å; M24-E71 HydrophobicContact CE-CG 3.91Å; M24-E71 HydrophobicContact SD-CG 4.37Å; M24-C74 PolarHBondContact O-SG 3.21Å; M24-C74 HydrophobicContact SD-CB 3.77Å; M24-Y78 PolarHBondContact O-OH 3Å; M24-Y78 VanDerWaalsContact O-OH 3.12Å |
| 25 | E | 87.6 | Confident | 85.2 | Confident | 140 Ų | 140 | 55 Ų | 55 | 65% | 0.654 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 157.2 | 170.8 | -63.9 | -167.1 | 164.2 | 0 | 0 | 111.2 | I21 E22 K23 A27 | I21-E25 WeakPolarHBondContact CA-O 3.4Å; E22-E25 PolarHBondContact N-O 3.19Å; E22-E25 PolarHBondContact O-N 2.9Å; K23-E25 PolarHBondContact O-N 2.81Å; E25-A27 PolarHBondContact O-N 3.31Å |
| 26 | L | 89.6 | Confident | 85.5 | Confident | 22 Ų | 22 | 54.4 Ų | 54.4 | 12% | 0.115 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 112.2 | 174.7 | -71.5 | 169.2 | 0 | 0 | 0 | 110.6 | A6 F7 W19 I21 V44 Y78 | A6-L26 HydrophobicContact CB-CB 3.65Å; A6-L26 HydrophobicContact CB-CD1 4.09Å; F7-L26 HydrophobicContact CD1-CD1 4.24Å; F7-L26 HydrophobicContact CE1-CD1 3.62Å; W19-L26 HydrophobicContact CB-CB 4.2Å; W19-L26 HydrophobicContact CB-CD2 3.59Å; W19-L26 HydrophobicContact CB-CG 4.44Å; W19-L26 HydrophobicContact CG-CB 4.18Å; W19-L26 HydrophobicContact CG-CD2 4.11Å; I21-L26 HydrophobicContact CD1-CD2 3.67Å; L26-V44 HydrophobicContact CD2-CB 3.99Å; L26-V44 HydrophobicContact CD2-CG2 3.91Å; L26-Y78 HydrophobicContact CD1-CD1 3.7Å; L26-Y78 HydrophobicContact CD1-CD2 4.17Å; L26-Y78 HydrophobicContact CD1-CE1 4.19Å; L26-Y78 HydrophobicContact CD1-CG 3.72Å; L26-Y78 HydrophobicContact CD2-CD2 3.95Å; L26-Y78 HydrophobicContact CD2-CG 4.12Å; L26-Y78 HydrophobicContact CG-CD1 4.09Å; L26-Y78 HydrophobicContact CG-CD2 3.68Å; L26-Y78 HydrophobicContact CG-CE1 4.35Å; L26-Y78 HydrophobicContact CG-CE2 3.89Å; L26-Y78 HydrophobicContact CG-CG 3.77Å |
| 27 | A | 89.7 | Confident | 85.5 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 22% | 0.223 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 128.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | W19 R20 E22 E25 V29 | W19-A27 CarbonylContact C-O 3.6Å; W19-A27 VanDerWaalsContact CA-O 3.23Å; W19-A27 WeakPolarHBondContact CA-O 3.23Å; R20-A27 PolarHBondContact N-O 2.96Å; R20-A27 PolarHBondContact O-N 3.09Å; E22-A27 HydrophobicContact CB-CB 4.04Å; E22-A27 HydrophobicContact CG-CB 3.78Å; E25-A27 PolarHBondContact O-N 3.31Å; A27-V29 PolarHBondContact O-N 2.82Å |
| 28 | L | 88.6 | Confident | 85.4 | Confident | 105 Ų | 105 | 51.6 Ų | 51.6 | 55% | 0.55 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 132.4 | 177.9 | -84.2 | 163.2 | 0 | 0 | 0 | 111.4 | A9 I17 W19 | A9-L28 HydrophobicContact CB-CD1 4.25Å; A9-L28 HydrophobicContact CB-CD2 4.45Å; I17-L28 HydrophobicContact CG2-CD2 3.64Å; W19-L28 HydrophobicContact CD2-CD2 4.5Å; W19-L28 HydrophobicContact CG-CD2 4.41Å; W19-L28 HydrophobicContact CZ2-CD2 4.45Å; W19-L28 VanDerWaalsContact NE1-CD2 3.28Å |
| 29 | V | 85 | Confident | 85.1 | Confident | 9 Ų | 9 | 51.8 Ų | 51.8 | 6% | 0.055 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -89.9 | 127.3 | 174 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | V18 R20 A27 A33 H34 Y43 | V18-V29 HydrophobicContact CB-CB 4.15Å; V18-V29 HydrophobicContact CG1-CB 3.89Å; V18-V29 HydrophobicContact CG1-CG1 4.44Å; V18-V29 HydrophobicContact CG1-CG2 3.83Å; V18-V29 WeakPolarHBondContact O-CB 3.47Å; V18-V29 PolarHBondContact O-N 2.82Å; R20-V29 HydrophobicContact CB-CG2 3.79Å; A27-V29 PolarHBondContact O-N 2.82Å; V29-A33 HydrophobicContact CG1-CB 3.91Å; V29-H34 PolarHBondContact O-NE2 2.86Å; V29-Y43 HydrophobicContact CG2-CD1 4.1Å; V29-Y43 HydrophobicContact CG2-CE1 3.97Å |
| 30 | P | 78.1 | Confident | 84.8 | Confident | 54 Ų | 54 | 52.3 Ų | 52.3 | 35% | 0.351 | 26% | 0.263 | S | S | . | . | P | Polyproline II helix | trans | -57 | 142.3 | 176.7 | -24.3 | 33.5 | 0 | 0 | 0 | 112.3 | R32 A33 H34 | P30-R32 VanDerWaalsContact C-N 3.28Å; P30-R32 HydrophobicContact CB-CG 4.16Å; P30-R32 PolarHBondContact O-N 2.95Å; P30-A33 WeakPolarHBondContact O-CA 3.28Å; P30-A33 WeakPolarHBondContact O-CB 3.24Å; P30-A33 PolarHBondContact O-N 3.04Å; P30-H34 PolarHBondContact O-CD2 3Å; P30-H34 VanDerWaalsContact O-CD2 3.22Å; P30-H34 PolarHBondContact O-N 3.22Å |
| 31 | V | 76.3 | Confident | 84.8 | Confident | 119 Ų | 119 | 52.2 Ų | 52.2 | 72% | 0.721 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -54.4 | -41.7 | -176.9 | -179.7 | 0 | 0 | 0 | 0 | 112.6 | A33 H34 | V31-A33 PolarHBondContact O-N 3Å; V31-A33 VanDerWaalsContact O-N 3.15Å; V31-H34 WeakPolarHBondContact O-CB 3.21Å; V31-H34 VanDerWaalsContact O-CG 3.29Å; V31-H34 PolarHBondContact O-N 3.09Å |
| 32 | R | 70.8 | Confident | 84.9 | Confident | 175 Ų | 175 | 52.2 Ų | 52.2 | 66% | 0.66 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -60.9 | -21.6 | 175.5 | 61.7 | -177.6 | 172.9 | 178.7 | 6 | 114.8 | P30 E127 | P30-R32 VanDerWaalsContact C-N 3.28Å; P30-R32 HydrophobicContact CB-CG 4.16Å; P30-R32 PolarHBondContact O-N 2.95Å; R32-E127 WeakPolarHBondContact CD-OE1 3.29Å; R32-E127 IonicContact CZ-OE1 2.83Å; R32-E127 IonicContact CZ-OE2 3.17Å; R32-E127 IonicContact NE-OE1 2.78Å; R32-E127 PolarHBondContact NE-OE1 3.41Å; R32-E127 IonicContact NH1-OE1 2.98Å; R32-E127 PolarHBondContact NH1-OE1 3.42Å; R32-E127 IonicContact NH1-OE2 2.71Å; R32-E127 PolarHBondContact NH1-OE2 3.22Å; R32-E127 IonicContact NH2-OE1 3.88Å; R32-E127 IonicContact NH2-OE2 3.59Å; R32-E127 PolarHBondContact NH2-OE2 3.16Å |
| 33 | A | 72.6 | Confident | 85.2 | Confident | 12 Ų | 12 | 49.4 Ų | 49.4 | 10% | 0.099 | 25% | 0.249 | C | C | . | . | G | 310 helix | trans | -96.1 | -3.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | V29 P30 V31 G35 N36 H125 | V29-A33 HydrophobicContact CG1-CB 3.91Å; P30-A33 WeakPolarHBondContact O-CA 3.28Å; P30-A33 WeakPolarHBondContact O-CB 3.24Å; P30-A33 PolarHBondContact O-N 3.04Å; V31-A33 PolarHBondContact O-N 3Å; V31-A33 VanDerWaalsContact O-N 3.15Å; A33-G35 PolarHBondContact O-N 3.17Å; A33-N36 VanDerWaalsContact O-CB 3.31Å; A33-N36 WeakPolarHBondContact O-CB 3.42Å; A33-N36 PolarHBondContact O-N 2.94Å; A33-N36 PolarHBondContact O-ND2 3.35Å; A33-H125 HydrophobicContact CB-CB 4.42Å |
| 34 | H | 83.2 | Confident | 85.7 | Confident | 39 Ų | 39 | 40.6 Ų | 40.6 | 18% | 0.181 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 137.5 | 174.3 | -70.4 | -169.2 | 0 | 0 | 0 | 110.2 | V29 P30 V31 N36 F108 | V29-H34 PolarHBondContact O-NE2 2.86Å; P30-H34 PolarHBondContact O-CD2 3Å; P30-H34 VanDerWaalsContact O-CD2 3.22Å; P30-H34 PolarHBondContact O-N 3.22Å; V31-H34 WeakPolarHBondContact O-CB 3.21Å; V31-H34 VanDerWaalsContact O-CG 3.29Å; V31-H34 PolarHBondContact O-N 3.09Å; H34-N36 VanDerWaalsContact C-N 3.33Å; H34-F108 HydrophobicContact CB-CE1 4.2Å |
| 35 | G | 74.3 | Confident | 86.1 | Confident | 6 Ų | 6 | 37 Ų | 37 | 6% | 0.062 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.8 | -11.5 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | A33 I113 | A33-G35 PolarHBondContact O-N 3.17Å; G35-I113 PolarHBondContact O-N 3Å |
| 36 | N | 82.1 | Confident | 86.4 | Confident | 27 Ų | 27 | 30.4 Ų | 30.4 | 14% | 0.144 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 117.8 | 172.5 | -62.4 | -75.2 | 0 | 0 | 0 | 111.1 | A33 H34 K115 H125 | A33-N36 VanDerWaalsContact O-CB 3.31Å; A33-N36 WeakPolarHBondContact O-CB 3.42Å; A33-N36 PolarHBondContact O-N 2.94Å; A33-N36 PolarHBondContact O-ND2 3.35Å; H34-N36 VanDerWaalsContact C-N 3.33Å; N36-K115 HydrophobicContact CB-CD 4.29Å; N36-K115 VanDerWaalsContact OD1-CE 3.32Å; N36-K115 WeakPolarHBondContact OD1-CE 3.38Å; N36-H125 PolarHBondContact O-CE1 2.98Å |
| 37 | F | 87.1 | Confident | 86.3 | Confident | 1 Ų | 1 | 29.5 Ų | 29.5 | 0% | 0.004 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 129.7 | 179.8 | -63 | -92.8 | 0 | 0 | 0 | 110.5 | Y43 I45 W62 F104 F108 I112 I113 Y114 K115 | F37-Y43 HydrophobicContact CB-CE2 4.29Å; F37-Y43 HydrophobicContact CD1-CD1 4Å; F37-Y43 AromaticContact CD1-CD2 3.61Å; F37-Y43 HydrophobicContact CD1-CD2 3.61Å; F37-Y43 HydrophobicContact CD1-CE1 4.24Å; F37-Y43 AromaticContact CD1-CE2 3.89Å; F37-Y43 HydrophobicContact CD1-CE2 3.89Å; F37-Y43 AromaticContact CD1-CG 3.69Å; F37-Y43 HydrophobicContact CD1-CG 3.69Å; F37-Y43 HydrophobicContact CE1-CD1 4.13Å; F37-Y43 HydrophobicContact CE1-CD2 4.3Å; F37-Y43 AromaticContact CE1-CG 3.93Å; F37-Y43 HydrophobicContact CE1-CG 3.93Å; F37-I45 HydrophobicContact CE1-CD1 4.39Å; F37-W62 HydrophobicContact CB-CD2 4.44Å; F37-W62 HydrophobicContact CB-CE3 4.23Å; F37-W62 HydrophobicContact CB-CH2 3.56Å; F37-W62 HydrophobicContact CB-CZ2 3.81Å; F37-W62 HydrophobicContact CB-CZ3 3.79Å; F37-W62 AromaticContact CD1-CD2 3.97Å; F37-W62 HydrophobicContact CD1-CD2 3.97Å; F37-W62 AromaticContact CD1-CE3 3.95Å; F37-W62 HydrophobicContact CD1-CE3 3.95Å; F37-W62 HydrophobicContact CD1-CG 4.35Å; F37-W62 HydrophobicContact CD1-CZ3 4.33Å; F37-W62 HydrophobicContact CG-CD2 4.33Å; F37-W62 HydrophobicContact CG-CE3 4.4Å; F37-W62 HydrophobicContact CG-CH2 4.42Å; F37-W62 HydrophobicContact CG-CZ2 4.36Å; F37-W62 HydrophobicContact CG-CZ3 4.44Å; F37-F104 AromaticContact CE1-CZ 4Å; F37-F104 HydrophobicContact CE1-CZ 4Å; F37-F104 HydrophobicContact CE2-CE1 4.38Å; F37-F104 HydrophobicContact CE2-CZ 4.21Å; F37-F104 HydrophobicContact CZ-CE1 4.2Å; F37-F104 AromaticContact CZ-CZ 3.58Å; F37-F104 HydrophobicContact CZ-CZ 3.58Å; F37-F108 HydrophobicContact CE2-CE2 4.09Å; F37-F108 HydrophobicContact CE2-CZ 4.08Å; F37-F108 HydrophobicContact CZ-CE1 4.38Å; F37-F108 AromaticContact CZ-CE2 3.94Å; F37-F108 HydrophobicContact CZ-CE2 3.94Å; F37-F108 AromaticContact CZ-CZ 3.7Å; F37-F108 HydrophobicContact CZ-CZ 3.7Å; F37-I112 HydrophobicContact CD2-CG2 3.65Å; F37-I112 HydrophobicContact CE2-CG2 4.08Å; F37-I113 PolarHBondContact N-O 2.8Å; F37-Y114 CarbonylContact O-C 3.53Å; F37-Y114 WeakPolarHBondContact O-CA 3.49Å; F37-K115 PolarHBondContact O-N 3.07Å |
| 38 | Y | 89.1 | Confident | 85.9 | Confident | 21 Ų | 21 | 28.5 Ų | 28.5 | 8% | 0.082 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.2 | 173 | -80.5 | -76.3 | 0 | 0 | 0 | 110.3 | G40 D41 Y43 W62 K115 K116 G117 M123 K124 H125 | Y38-G40 PolarHBondContact O-N 3.34Å; Y38-D41 WeakPolarHBondContact CB-OD2 3.3Å; Y38-D41 PolarHBondContact O-N 2.91Å; Y38-Y43 WeakPolarHBondContact CD2-OH 3.48Å; Y38-Y43 PolarHBondContact N-OH 2.87Å; Y38-W62 WeakPolarHBondContact O-CZ3 3.37Å; Y38-K115 CarbonylContact C-O 3.51Å; Y38-K115 WeakPolarHBondContact CA-O 2.83Å; Y38-K115 HydrophobicContact CD1-CB 3.56Å; Y38-K115 HydrophobicContact CE1-CB 3.61Å; Y38-K115 HydrophobicContact CE1-CD 4.08Å; Y38-K115 HydrophobicContact CE1-CG 4.5Å; Y38-K115 HydrophobicContact CE2-CD 4.31Å; Y38-K115 HydrophobicContact CG-CB 4.18Å; Y38-K116 WeakPolarHBondContact CD1-O 3.18Å; Y38-G117 WeakPolarHBondContact CB-O 3.28Å; Y38-M123 HydrophobicContact CD1-CB 4.31Å; Y38-M123 HydrophobicContact CE1-CB 3.73Å; Y38-M123 HydrophobicContact CE1-CG 4.28Å; Y38-K124 PolarHBondContact OH-O 2.76Å; Y38-H125 AromaticContact CD2-CE1 3.87Å; Y38-H125 AromaticContact CD2-NE2 3.74Å; Y38-H125 AromaticContact CE2-CE1 3.64Å; Y38-H125 AromaticContact CE2-ND1 3.86Å; Y38-H125 AromaticContact CE2-NE2 3.8Å |
| 39 | E | 87.8 | Confident | 84.9 | Confident | 8 Ų | 8 | 28.4 Ų | 28.4 | 4% | 0.037 | 14% | 0.142 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.8 | -26.7 | -177.6 | -60.8 | -165.9 | 141.2 | 0 | 0 | 112.6 | G64 K65 D66 S67 Q97 Y98 K115 K116 | E39-G64 CarbonylContact O-C 3.6Å; E39-G64 WeakPolarHBondContact O-CA 3.39Å; E39-K65 HydrophobicContact CB-CG 4.31Å; E39-K65 PolarHBondContact O-N 3.17Å; E39-K65 VanDerWaalsContact O-N 3.17Å; E39-K65 IonicContact OE1-NZ 3.64Å; E39-K65 PolarHBondContact OE1-NZ 3.43Å; E39-K65 WeakPolarHBondContact OE2-CE 3.43Å; E39-K65 IonicContact OE2-NZ 3.7Å; E39-K65 PolarHBondContact OE2-NZ 3.2Å; E39-D66 CarbonylContact O-C 3.6Å; E39-D66 WeakPolarHBondContact O-CA 3.43Å; E39-D66 PolarHBondContact O-N 3.38Å; E39-S67 PolarHBondContact O-N 2.73Å; E39-Q97 PolarHBondContact OE1-NE2 3.17Å; E39-Y98 PolarHBondContact OE1-OH 3.02Å; E39-K115 WeakPolarHBondContact CG-O 3.24Å; E39-K115 PolarHBondContact N-O 2.85Å; E39-K116 VanDerWaalsContact OE2-CD 3.27Å; E39-K116 WeakPolarHBondContact OE2-CD 3.39Å; E39-K116 WeakPolarHBondContact OE2-CE 3.28Å; E39-K116 IonicContact OE2-NZ 2.73Å; E39-K116 PolarHBondContact OE2-NZ 2.9Å |
| 40 | G | 88.8 | Confident | 83.5 | Confident | 12 Ų | 12 | 35.2 Ų | 35.2 | 12% | 0.124 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87 | 5.3 | -180 | 0 | 0 | 0 | 0 | 0 | 115.6 | Y38 S67 G117 | Y38-G40 PolarHBondContact O-N 3.34Å; G40-S67 WeakPolarHBondContact O-CA 3.43Å; G40-G117 WeakPolarHBondContact CA-O 3.24Å; G40-G117 PolarHBondContact N-O 2.85Å |
| 41 | D | 94.1 | Very high | 81.9 | Confident | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | trans | -128.7 | 170.2 | -172.6 | -56.7 | -35.6 | 0 | 0 | 0 | 113.7 | R20 Y38 Y43 G64 S67 G118 V119 | R20-D41 IonicContact CZ-OD2 3.97Å; R20-D41 IonicContact NE-OD2 3.38Å; R20-D41 PolarHBondContact NE-OD2 3.42Å; R20-D41 IonicContact NH2-OD1 3.18Å; R20-D41 IonicContact NH2-OD2 3.63Å; R20-D41 PolarHBondContact NH2-OD2 2.9Å; Y38-D41 WeakPolarHBondContact CB-OD2 3.3Å; Y38-D41 PolarHBondContact O-N 2.91Å; D41-Y43 HydrophobicContact CB-CD2 4.49Å; D41-Y43 HydrophobicContact CB-CE2 3.77Å; D41-G64 WeakPolarHBondContact O-CA 3.42Å; D41-G64 PolarHBondContact O-N 2.93Å; D41-S67 WeakPolarHBondContact O-CB 3.3Å; D41-G118 WeakPolarHBondContact OD1-CA 3.28Å; D41-G118 WeakPolarHBondContact OD2-CA 3.45Å; D41-V119 PolarHBondContact OD1-N 3.28Å | ||
| 42 | C | 95.8 | Very high | 80.7 | Confident | 0 Ų | 0 | 35.9 Ų | 35.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 152.5 | 168.6 | -66.3 | 0 | 0 | 0 | 0 | 111.4 | I21 W62 S67 E71 Q72 A75 | I21-C42 HydrophobicContact CB-CB 4.42Å; I21-C42 HydrophobicContact CG1-CB 3.98Å; I21-C42 WeakPolarHBondContact CG1-O 3.21Å; I21-C42 PolarHBondContact N-O 2.87Å; C42-W62 CarbonylContact C-O 3.58Å; C42-W62 VanDerWaalsContact CA-O 3.27Å; C42-W62 WeakPolarHBondContact CA-O 3.3Å; C42-S67 PolarHBondContact SG-OG 2.87Å; C42-E71 HydrophobicContact CB-CB 4.31Å; C42-Q72 VanDerWaalsContact SG-CG 3.52Å; C42-A75 HydrophobicContact CB-CB 3.85Å |
| 43 | Y | 96.7 | Very high | 79.2 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 151.2 | -179 | -64.8 | -106.6 | 0 | 0 | 0 | 110.2 | V18 W19 R20 V29 F37 Y38 D41 F61 W62 H125 | V18-Y43 HydrophobicContact CG1-CD1 4.13Å; W19-Y43 CarbonylContact O-C 3.58Å; W19-Y43 WeakPolarHBondContact O-CA 3.46Å; W19-Y43 VanDerWaalsContact O-CB 3.3Å; W19-Y43 WeakPolarHBondContact O-CB 3.32Å; W19-Y43 WeakPolarHBondContact O-CD1 3.12Å; R20-Y43 HydrophobicContact CB-CD1 3.79Å; R20-Y43 HydrophobicContact CB-CE1 3.56Å; R20-Y43 WeakPolarHBondContact CD-OH 3.46Å; R20-Y43 HydrophobicContact CG-CD1 4.15Å; R20-Y43 HydrophobicContact CG-CE1 3.62Å; R20-Y43 HydrophobicContact CG-CE2 4.4Å; R20-Y43 PolarHBondContact NE-OH 2.85Å; V29-Y43 HydrophobicContact CG2-CD1 4.1Å; V29-Y43 HydrophobicContact CG2-CE1 3.97Å; F37-Y43 HydrophobicContact CB-CE2 4.29Å; F37-Y43 HydrophobicContact CD1-CD1 4Å; F37-Y43 AromaticContact CD1-CD2 3.61Å; F37-Y43 HydrophobicContact CD1-CD2 3.61Å; F37-Y43 HydrophobicContact CD1-CE1 4.24Å; F37-Y43 AromaticContact CD1-CE2 3.89Å; F37-Y43 HydrophobicContact CD1-CE2 3.89Å; F37-Y43 AromaticContact CD1-CG 3.69Å; F37-Y43 HydrophobicContact CD1-CG 3.69Å; F37-Y43 HydrophobicContact CE1-CD1 4.13Å; F37-Y43 HydrophobicContact CE1-CD2 4.3Å; F37-Y43 AromaticContact CE1-CG 3.93Å; F37-Y43 HydrophobicContact CE1-CG 3.93Å; Y38-Y43 WeakPolarHBondContact CD2-OH 3.48Å; Y38-Y43 PolarHBondContact N-OH 2.87Å; D41-Y43 HydrophobicContact CB-CD2 4.49Å; D41-Y43 HydrophobicContact CB-CE2 3.77Å; Y43-F61 CarbonylContact O-C 3.59Å; Y43-F61 WeakPolarHBondContact O-CA 3.46Å; Y43-W62 AromaticContact CD2-CE3 3.64Å; Y43-W62 HydrophobicContact CD2-CE3 3.64Å; Y43-W62 AromaticContact CD2-CZ3 3.96Å; Y43-W62 HydrophobicContact CD2-CZ3 3.96Å; Y43-W62 HydrophobicContact CE2-CE3 4.2Å; Y43-W62 HydrophobicContact CE2-CZ3 4.05Å; Y43-W62 PolarHBondContact N-O 3.28Å; Y43-W62 PolarHBondContact O-N 3.35Å; Y43-H125 AromaticContact CE1-NE2 3.96Å; Y43-H125 PolarHBondContact OH-NE2 3.17Å |
| 44 | V | 96.4 | Very high | 77.9 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 133.2 | 168.8 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | W19 I21 L26 I59 H60 F61 A75 L82 | W19-V44 HydrophobicContact CE3-CG1 4.38Å; W19-V44 PolarHBondContact N-O 2.91Å; W19-V44 PolarHBondContact O-N 3.1Å; I21-V44 HydrophobicContact CD1-CG2 4.3Å; L26-V44 HydrophobicContact CD2-CB 3.99Å; L26-V44 HydrophobicContact CD2-CG2 3.91Å; V44-I59 HydrophobicContact CG1-CG2 4.13Å; V44-H60 CarbonylContact C-O 3.53Å; V44-H60 WeakPolarHBondContact CA-O 3.43Å; V44-F61 HydrophobicContact CG2-CB 4.34Å; V44-A75 HydrophobicContact CG2-CB 4.21Å; V44-L82 HydrophobicContact CG1-CD2 4.3Å |
| 45 | I | 95.2 | Very high | 76.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.1 | -176.8 | -56 | 78.4 | 0 | 0 | 0 | 107.8 | I17 V18 F37 I59 H60 W62 F104 | I17-I45 CarbonylContact O-C 3.56Å; I17-I45 WeakPolarHBondContact O-CA 3.21Å; V18-I45 HydrophobicContact CB-CG1 4.41Å; V18-I45 HydrophobicContact CG1-CG1 4.13Å; V18-I45 HydrophobicContact CG2-CG1 4Å; V18-I45 HydrophobicContact CG2-CG2 4.04Å; F37-I45 HydrophobicContact CE1-CD1 4.39Å; I45-I59 CarbonylContact O-C 3.54Å; I45-I59 WeakPolarHBondContact O-CA 3.3Å; I45-H60 HydrophobicContact CB-CB 4.22Å; I45-H60 PolarHBondContact N-O 3.22Å; I45-H60 PolarHBondContact O-N 2.81Å; I45-W62 HydrophobicContact CD1-CB 4.19Å; I45-F104 HydrophobicContact CB-CE2 4.49Å; I45-F104 HydrophobicContact CD1-CE2 3.66Å; I45-F104 HydrophobicContact CD1-CZ 4.2Å; I45-F104 HydrophobicContact CG1-CE2 3.92Å |
| 46 | L | 93.3 | Very high | 76.7 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 121.2 | 168.9 | 174.8 | 65.9 | 0 | 0 | 0 | 108.3 | V10 I16 I17 W19 Q57 D58 I59 L82 L86 | V10-L46 HydrophobicContact CB-CD2 4.42Å; V10-L46 HydrophobicContact CG1-CD2 3.7Å; V10-L46 HydrophobicContact CG2-CD2 4.12Å; I16-L46 CarbonylContact C-O 3.53Å; I16-L46 VanDerWaalsContact CA-O 3.29Å; I16-L46 WeakPolarHBondContact CA-O 3.44Å; I17-L46 HydrophobicContact CD1-CD2 4.46Å; I17-L46 PolarHBondContact N-O 3.23Å; I17-L46 PolarHBondContact O-N 3.35Å; W19-L46 HydrophobicContact CH2-CB 4.18Å; W19-L46 HydrophobicContact CZ3-CB 3.78Å; L46-Q57 HydrophobicContact CD1-CB 4.37Å; L46-D58 CarbonylContact C-O 3.48Å; L46-D58 WeakPolarHBondContact CA-O 3.31Å; L46-I59 HydrophobicContact CD1-CG1 3.77Å; L46-L82 HydrophobicContact CB-CD2 4.28Å; L46-L86 HydrophobicContact CD1-CD1 3.76Å; L46-L86 HydrophobicContact CD2-CD1 4.09Å |
| 47 | S | 88.4 | Confident | 76.7 | Confident | 4 Ų | 4 | 36.9 Ų | 36.9 | 3% | 0.028 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 128.6 | 166 | -178 | 0 | 0 | 0 | 0 | 109 | G15 Q57 D58 Y107 | G15-S47 WeakPolarHBondContact O-CA 3.38Å; S47-Q57 CarbonylContact O-C 3.54Å; S47-Q57 VanDerWaalsContact O-CA 3.25Å; S47-Q57 WeakPolarHBondContact O-CA 3.44Å; S47-D58 PolarHBondContact N-O 3.3Å; S47-D58 PolarHBondContact O-N 3.3Å; S47-Y107 WeakPolarHBondContact CB-OH 3.32Å; S47-Y107 WeakPolarHBondContact OG-CE1 3.48Å |
| 48 | T | 81.4 | Confident | 76.5 | Confident | 5 Ų | 5 | 37.7 Ų | 37.7 | 3% | 0.031 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 138.6 | 170.8 | -60.1 | 0 | 0 | 0 | 0 | 107.4 | D13 P14 G15 L55 S56 Q57 | D13-T48 WeakPolarHBondContact O-CB 3.27Å; D13-T48 WeakPolarHBondContact O-CG2 2.91Å; P14-T48 CarbonylContact C-O 3.47Å; P14-T48 WeakPolarHBondContact CA-O 3.29Å; G15-T48 PolarHBondContact N-O 2.83Å; G15-T48 PolarHBondContact O-N 3.43Å; T48-L55 HydrophobicContact CG2-CB 4.4Å; T48-L55 HydrophobicContact CG2-CD2 3.82Å; T48-S56 CarbonylContact C-O 3.54Å; T48-S56 WeakPolarHBondContact CA-O 3.5Å; T48-Q57 HydrophobicContact CG2-CG 3.99Å; T48-Q57 PolarHBondContact OG1-NE2 3.13Å |
| 49 | R | 66.3 | Low | 76.6 | Confident | 103 Ų | 103 | 36.7 Ų | 36.7 | 39% | 0.389 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 143.8 | 178.9 | -52.7 | -175.1 | -155 | 173.6 | 11.5 | 109.6 | L55 S56 D58 Y107 | R49-L55 CarbonylContact O-C 3.6Å; R49-L55 WeakPolarHBondContact O-CA 3.34Å; R49-S56 PolarHBondContact N-O 3.36Å; R49-S56 PolarHBondContact O-N 3.36Å; R49-D58 IonicContact NH2-OD2 2.84Å; R49-Y107 PolarHBondContact NH2-OH 2.96Å |
| 50 | R | 55.8 | Low | 76.9 | Confident | 152 Ų | 152 | 36.3 Ų | 36.3 | 57% | 0.574 | 20% | 0.204 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 124.4 | 174.7 | -156 | 168.4 | -168.9 | 164.6 | 0.3 | 109.5 | P14 L54 L55 | P14-R50 HydrophobicContact CG-CB 3.51Å; R50-L54 WeakPolarHBondContact CA-O 3.46Å; R50-L55 HydrophobicContact CB-CD2 4.47Å; R50-L55 HydrophobicContact CG-CD2 4.44Å |
| 51 | V | 44.3 | Very low | 77.2 | Confident | 95 Ų | 95 | 36 Ų | 36 | 58% | 0.576 | 20% | 0.199 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 103 | 174.7 | -175.8 | 0 | 0 | 0 | 0 | 106.5 | S53 L54 | V51-S53 PolarHBondContact O-N 3.22Å; V51-S53 VanDerWaalsContact O-N 3.14Å; V51-L54 PolarHBondContact N-O 2.87Å; V51-L54 PolarHBondContact O-N 3.43Å |
| 52 | A | 50.3 | Low | 77.3 | Confident | 92 Ų | 92 | 36 Ų | 36 | 76% | 0.76 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.6 | -112.3 | -170 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 53 | S | 40.4 | Very low | 77.2 | Confident | 89 Ų | 89 | 36.4 Ų | 36.4 | 62% | 0.622 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99.5 | 4.5 | -177.2 | 64 | 0 | 0 | 0 | 0 | 115.1 | V51 | V51-S53 PolarHBondContact O-N 3.22Å; V51-S53 VanDerWaalsContact O-N 3.14Å |
| 54 | L | 44.8 | Very low | 76.9 | Confident | 60 Ų | 60 | 36.4 Ų | 36.4 | 31% | 0.314 | 20% | 0.202 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 172.6 | 167.3 | 8 | 82 | 0 | 0 | 0 | 117.3 | R50 V51 F359 | R50-L54 WeakPolarHBondContact CA-O 3.46Å; V51-L54 PolarHBondContact N-O 2.87Å; V51-L54 PolarHBondContact O-N 3.43Å; L54-F359 HydrophobicContact CD1-CD1 3.28Å; L54-F359 HydrophobicContact CD1-CE1 3.23Å; L54-F359 HydrophobicContact CD1-CG 4.02Å; L54-F359 HydrophobicContact CD1-CZ 3.93Å; L54-F359 HydrophobicContact CD2-CD1 3.28Å; L54-F359 HydrophobicContact CD2-CE1 3.76Å; L54-F359 HydrophobicContact CD2-CG 4.31Å; L54-F359 HydrophobicContact CG-CD1 3.34Å; L54-F359 HydrophobicContact CG-CE1 3.25Å; L54-F359 HydrophobicContact CG-CG 4.45Å; L54-F359 HydrophobicContact CG-CZ 4.32Å |
| 55 | L | 60.3 | Low | 76.4 | Confident | 62 Ų | 62 | 40.6 Ų | 40.6 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 128.8 | -174.3 | -61.9 | 162.3 | 0 | 0 | 0 | 110.3 | N12 P14 T48 R49 R50 | N12-L55 HydrophobicContact CB-CD1 3.45Å; N12-L55 VanDerWaalsContact CB-CD1 3.45Å; N12-L55 WeakPolarHBondContact O-CD1 3.33Å; N12-L55 WeakPolarHBondContact O-CD2 3.32Å; P14-L55 HydrophobicContact CG-CD2 4.4Å; T48-L55 HydrophobicContact CG2-CB 4.4Å; T48-L55 HydrophobicContact CG2-CD2 3.82Å; R49-L55 CarbonylContact O-C 3.6Å; R49-L55 WeakPolarHBondContact O-CA 3.34Å; R50-L55 HydrophobicContact CB-CD2 4.47Å; R50-L55 HydrophobicContact CG-CD2 4.44Å |
| 56 | S | 71.6 | Confident | 76 | Confident | 53 Ų | 53 | 45.3 Ų | 45.3 | 37% | 0.371 | 25% | 0.245 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 134.3 | 166.6 | -175.1 | 0 | 0 | 0 | 0 | 108.3 | T48 R49 | T48-S56 CarbonylContact C-O 3.54Å; T48-S56 WeakPolarHBondContact CA-O 3.5Å; R49-S56 PolarHBondContact N-O 3.36Å; R49-S56 PolarHBondContact O-N 3.36Å |
| 57 | Q | 82.2 | Confident | 75.8 | Confident | 17 Ų | 17 | 45.9 Ų | 45.9 | 8% | 0.079 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 134.8 | -176.4 | -68.8 | 177.9 | -45.6 | 0 | 0 | 111.3 | L46 S47 T48 P90 V91 | L46-Q57 HydrophobicContact CD1-CB 4.37Å; S47-Q57 CarbonylContact O-C 3.54Å; S47-Q57 VanDerWaalsContact O-CA 3.25Å; S47-Q57 WeakPolarHBondContact O-CA 3.44Å; T48-Q57 HydrophobicContact CG2-CG 3.99Å; T48-Q57 PolarHBondContact OG1-NE2 3.13Å; Q57-P90 HydrophobicContact CB-CB 4.01Å; Q57-P90 HydrophobicContact CB-CG 3.95Å; Q57-P90 VanDerWaalsContact O-CA 3.26Å; Q57-P90 WeakPolarHBondContact O-CA 3.28Å; Q57-V91 PolarHBondContact O-N 2.86Å |
| 58 | D | 83.4 | Confident | 75.8 | Confident | 17 Ų | 17 | 48 Ų | 48 | 9% | 0.091 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 123.5 | 177.5 | -67.2 | -87.3 | 0 | 0 | 0 | 109.1 | L46 S47 R49 H60 V91 H93 | L46-D58 CarbonylContact C-O 3.48Å; L46-D58 WeakPolarHBondContact CA-O 3.31Å; S47-D58 PolarHBondContact N-O 3.3Å; S47-D58 PolarHBondContact O-N 3.3Å; R49-D58 IonicContact NH2-OD2 2.84Å; D58-H60 WeakPolarHBondContact CB-NE2 3.01Å; D58-V91 CarbonylContact C-O 3.51Å; D58-V91 WeakPolarHBondContact CA-O 3.26Å; D58-H93 IonicContact OD1-CD2 3.62Å; D58-H93 IonicContact OD1-CE1 3.75Å; D58-H93 IonicContact OD1-NE2 2.71Å; D58-H93 PolarHBondContact OD1-NE2 3.25Å |
| 59 | I | 92.3 | Very high | 75.9 | Confident | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 119.6 | 172.9 | -53.9 | 165.9 | 0 | 0 | 0 | 108.3 | V44 I45 L46 T79 L82 D83 L86 P90 V91 Q92 H93 | V44-I59 HydrophobicContact CG1-CG2 4.13Å; I45-I59 CarbonylContact O-C 3.54Å; I45-I59 WeakPolarHBondContact O-CA 3.3Å; L46-I59 HydrophobicContact CD1-CG1 3.77Å; I59-T79 HydrophobicContact CB-CG2 4.36Å; I59-T79 HydrophobicContact CG2-CG2 3.73Å; I59-L82 HydrophobicContact CD1-CB 4.09Å; I59-L82 HydrophobicContact CD1-CD2 4.09Å; I59-L82 HydrophobicContact CD1-CG 3.79Å; I59-L82 HydrophobicContact CG1-CD2 4.11Å; I59-L82 HydrophobicContact CG1-CG 4.32Å; I59-L82 HydrophobicContact CG2-CD2 3.98Å; I59-D83 HydrophobicContact CD1-CB 3.97Å; I59-L86 HydrophobicContact CD1-CD1 4.32Å; I59-P90 HydrophobicContact CD1-CB 3.73Å; I59-P90 HydrophobicContact CD1-CG 3.96Å; I59-P90 HydrophobicContact CG1-CB 3.79Å; I59-P90 HydrophobicContact CG1-CG 4.32Å; I59-V91 PolarHBondContact N-O 3.23Å; I59-Q92 CarbonylContact O-C 3.59Å; I59-Q92 VanDerWaalsContact O-CA 3.31Å; I59-Q92 WeakPolarHBondContact O-CA 3.47Å; I59-H93 PolarHBondContact O-N 3.34Å |
| 60 | H | 93.9 | Very high | 76.8 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 140.9 | 173.2 | -54.7 | -107.7 | 0 | 0 | 0 | 109.3 | V44 I45 D58 H93 E95 F104 Y107 | V44-H60 CarbonylContact C-O 3.53Å; V44-H60 WeakPolarHBondContact CA-O 3.43Å; I45-H60 HydrophobicContact CB-CB 4.22Å; I45-H60 PolarHBondContact N-O 3.22Å; I45-H60 PolarHBondContact O-N 2.81Å; D58-H60 WeakPolarHBondContact CB-NE2 3.01Å; H60-H93 CarbonylContact C-O 3.55Å; H60-H93 WeakPolarHBondContact CA-O 3.48Å; H60-H93 HydrophobicContact CB-CB 4.27Å; H60-H93 AromaticContact CD2-CD2 3.95Å; H60-H93 AromaticContact CE1-CD2 3.28Å; H60-H93 PolarHBondContact CE1-CD2 3.19Å; H60-H93 AromaticContact CE1-CG 3.41Å; H60-H93 VanDerWaalsContact CE1-CG 3.41Å; H60-H93 AromaticContact CE1-NE2 3.8Å; H60-H93 VanDerWaalsContact ND1-CB 3.27Å; H60-H93 WeakPolarHBondContact ND1-CB 3.34Å; H60-H93 AromaticContact ND1-CD2 3.67Å; H60-H93 AromaticContact ND1-CG 3.5Å; H60-H93 AromaticContact NE2-CD2 3.49Å; H60-H93 PolarHBondContact NE2-CD2 3.14Å; H60-H93 AromaticContact NE2-NE2 3.96Å; H60-E95 HydrophobicContact CB-CG 3.93Å; H60-E95 IonicContact CE1-OE1 3.72Å; H60-E95 IonicContact CG-OE1 2.73Å; H60-E95 IonicContact ND1-OE1 3.69Å; H60-E95 PolarHBondContact ND1-OE1 3.42Å; H60-F104 HydrophobicContact CB-CD2 3.81Å; H60-F104 HydrophobicContact CB-CE2 4.13Å; H60-F104 AromaticContact CG-CD2 3.8Å; H60-F104 AromaticContact ND1-CD2 3.77Å; H60-Y107 AromaticContact CD2-CE2 3.65Å; H60-Y107 AromaticContact CE1-CE2 3.81Å; H60-Y107 AromaticContact NE2-CE2 3.27Å; H60-Y107 VanDerWaalsContact NE2-CE2 3.27Å; H60-Y107 WeakPolarHBondContact NE2-CE2 3.43Å; H60-Y107 AromaticContact NE2-CZ 3.5Å; H60-Y107 PolarHBondContact NE2-OH 3.18Å |
| 61 | F | 94.4 | Very high | 78.2 | Confident | 5 Ų | 5 | 47.6 Ų | 47.6 | 2% | 0.022 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 124.5 | 160.4 | 65.7 | -74.1 | 0 | 0 | 0 | 109.7 | Y43 V44 I63 A75 A76 T79 H93 R94 E95 M309 | Y43-F61 CarbonylContact O-C 3.59Å; Y43-F61 WeakPolarHBondContact O-CA 3.46Å; V44-F61 HydrophobicContact CG2-CB 4.34Å; F61-I63 HydrophobicContact CD2-CD1 4.26Å; F61-I63 HydrophobicContact CD2-CG1 4.26Å; F61-I63 HydrophobicContact CE2-CD1 3.97Å; F61-I63 HydrophobicContact CE2-CG1 4.47Å; F61-A75 HydrophobicContact CB-CB 4.2Å; F61-A75 HydrophobicContact CD2-CB 4.29Å; F61-A76 HydrophobicContact CE2-CB 4.26Å; F61-A76 HydrophobicContact CZ-CB 4.5Å; F61-T79 WeakPolarHBondContact CB-OG1 3.38Å; F61-T79 HydrophobicContact CD1-CG2 3.92Å; F61-T79 HydrophobicContact CE1-CG2 4.43Å; F61-H93 VanDerWaalsContact CD1-O 3.23Å; F61-H93 WeakPolarHBondContact CD1-O 3.46Å; F61-H93 PolarHBondContact N-O 3.41Å; F61-R94 HydrophobicContact CE1-CB 3.67Å; F61-R94 HydrophobicContact CE1-CG 4.15Å; F61-R94 HydrophobicContact CE2-CB 4.21Å; F61-R94 HydrophobicContact CE2-CG 3.75Å; F61-R94 HydrophobicContact CZ-CB 3.47Å; F61-R94 VanDerWaalsContact CZ-CB 3.47Å; F61-R94 HydrophobicContact CZ-CG 3.48Å; F61-R94 VanDerWaalsContact CZ-CG 3.48Å; F61-E95 PolarHBondContact O-N 3.1Å; F61-M309 HydrophobicContact CE1-CE 4.01Å; F61-M309 HydrophobicContact CZ-CE 4.47Å; F61-M309 HydrophobicContact CZ-SD 4.48Å |
| 62 | W | 96.1 | Very high | 80.3 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 133.7 | -175.8 | -177.2 | 97.2 | 0 | 0 | 0 | 110.5 | F37 Y38 C42 Y43 I45 E95 Q97 E100 F104 Y114 | F37-W62 HydrophobicContact CB-CD2 4.44Å; F37-W62 HydrophobicContact CB-CE3 4.23Å; F37-W62 HydrophobicContact CB-CH2 3.56Å; F37-W62 HydrophobicContact CB-CZ2 3.81Å; F37-W62 HydrophobicContact CB-CZ3 3.79Å; F37-W62 AromaticContact CD1-CD2 3.97Å; F37-W62 HydrophobicContact CD1-CD2 3.97Å; F37-W62 AromaticContact CD1-CE3 3.95Å; F37-W62 HydrophobicContact CD1-CE3 3.95Å; F37-W62 HydrophobicContact CD1-CG 4.35Å; F37-W62 HydrophobicContact CD1-CZ3 4.33Å; F37-W62 HydrophobicContact CG-CD2 4.33Å; F37-W62 HydrophobicContact CG-CE3 4.4Å; F37-W62 HydrophobicContact CG-CH2 4.42Å; F37-W62 HydrophobicContact CG-CZ2 4.36Å; F37-W62 HydrophobicContact CG-CZ3 4.44Å; Y38-W62 WeakPolarHBondContact O-CZ3 3.37Å; C42-W62 CarbonylContact C-O 3.58Å; C42-W62 VanDerWaalsContact CA-O 3.27Å; C42-W62 WeakPolarHBondContact CA-O 3.3Å; Y43-W62 AromaticContact CD2-CE3 3.64Å; Y43-W62 HydrophobicContact CD2-CE3 3.64Å; Y43-W62 AromaticContact CD2-CZ3 3.96Å; Y43-W62 HydrophobicContact CD2-CZ3 3.96Å; Y43-W62 HydrophobicContact CE2-CE3 4.2Å; Y43-W62 HydrophobicContact CE2-CZ3 4.05Å; Y43-W62 PolarHBondContact N-O 3.28Å; Y43-W62 PolarHBondContact O-N 3.35Å; I45-W62 HydrophobicContact CD1-CB 4.19Å; W62-E95 CarbonylContact C-O 3.58Å; W62-E95 VanDerWaalsContact CA-O 3.32Å; W62-E95 WeakPolarHBondContact CA-O 3.04Å; W62-E95 HydrophobicContact CB-CB 4.14Å; W62-E95 HydrophobicContact CG-CB 4.35Å; W62-Q97 HydrophobicContact CH2-CB 4.13Å; W62-Q97 HydrophobicContact CH2-CG 4.27Å; W62-Q97 HydrophobicContact CZ2-CB 3.54Å; W62-Q97 HydrophobicContact CZ2-CG 3.69Å; W62-E100 PolarHBondContact NE1-OE1 3.14Å; W62-F104 HydrophobicContact CB-CE2 4.34Å; W62-F104 HydrophobicContact CB-CZ 3.98Å; W62-F104 AromaticContact CD1-CE1 3.64Å; W62-F104 AromaticContact CD1-CZ 3.67Å; W62-F104 HydrophobicContact CG-CE1 4.41Å; W62-F104 HydrophobicContact CG-CZ 4.02Å; W62-Y114 HydrophobicContact CH2-CD1 4.49Å; W62-Y114 AromaticContact CZ2-CD1 3.92Å; W62-Y114 HydrophobicContact CZ2-CD1 3.92Å; W62-Y114 AromaticContact CZ2-CE1 3.81Å; W62-Y114 HydrophobicContact CZ2-CE1 3.81Å |
| 63 | I | 93.9 | Very high | 81.8 | Confident | 9 Ų | 9 | 43 Ų | 43 | 5% | 0.046 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 114.9 | -176.4 | -63 | 173.6 | 0 | 0 | 0 | 109.4 | F61 S67 Q72 R94 E95 Q97 | F61-I63 HydrophobicContact CD2-CD1 4.26Å; F61-I63 HydrophobicContact CD2-CG1 4.26Å; F61-I63 HydrophobicContact CE2-CD1 3.97Å; F61-I63 HydrophobicContact CE2-CG1 4.47Å; I63-S67 WeakPolarHBondContact CG2-OG 3.36Å; I63-Q72 HydrophobicContact CD1-CG 4.31Å; I63-Q72 HydrophobicContact CG1-CG 4.24Å; I63-Q72 HydrophobicContact CG2-CG 3.68Å; I63-R94 HydrophobicContact CD1-CG 4.43Å; I63-E95 PolarHBondContact N-O 3.2Å; I63-Q97 WeakPolarHBondContact O-CB 3.43Å; I63-Q97 PolarHBondContact O-N 3.22Å |
| 64 | G | 89.9 | Confident | 84 | Confident | 1 Ų | 1 | 39.4 Ų | 39.4 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | trans | -68.7 | 146.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E39 D41 D66 S67 | E39-G64 CarbonylContact O-C 3.6Å; E39-G64 WeakPolarHBondContact O-CA 3.39Å; D41-G64 WeakPolarHBondContact O-CA 3.42Å; D41-G64 PolarHBondContact O-N 2.93Å; G64-D66 PolarHBondContact O-N 2.99Å; G64-S67 VanDerWaalsContact O-CB 3.29Å; G64-S67 WeakPolarHBondContact O-CB 3.33Å; G64-S67 PolarHBondContact O-N 2.88Å; G64-S67 VanDerWaalsContact O-N 3.13Å; G64-S67 PolarHBondContact O-OG 2.82Å | ||
| 65 | K | 86.8 | Confident | 86.2 | Confident | 88 Ų | 88 | 36.5 Ų | 36.5 | 38% | 0.383 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -29.7 | -174.9 | 80.6 | -168.9 | -171.6 | -160.1 | 0 | 113.4 | E39 Q97 Y98 | E39-K65 HydrophobicContact CB-CG 4.31Å; E39-K65 PolarHBondContact O-N 3.17Å; E39-K65 VanDerWaalsContact O-N 3.17Å; E39-K65 IonicContact OE1-NZ 3.64Å; E39-K65 PolarHBondContact OE1-NZ 3.43Å; E39-K65 WeakPolarHBondContact OE2-CE 3.43Å; E39-K65 IonicContact OE2-NZ 3.7Å; E39-K65 PolarHBondContact OE2-NZ 3.2Å; K65-Q97 HydrophobicContact CB-CB 4.42Å; K65-Y98 HydrophobicContact CD-CE2 3.68Å; K65-Y98 PolarHBondContact NZ-OH 2.99Å |
| 66 | D | 86.5 | Confident | 87.3 | Confident | 99 Ų | 99 | 35.1 Ų | 35.1 | 53% | 0.529 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 9.2 | -177.6 | -61.5 | -39.2 | 0 | 0 | 0 | 111.4 | E39 G64 | E39-D66 CarbonylContact O-C 3.6Å; E39-D66 WeakPolarHBondContact O-CA 3.43Å; E39-D66 PolarHBondContact O-N 3.38Å; G64-D66 PolarHBondContact O-N 2.99Å |
| 67 | S | 89.5 | Confident | 87.9 | Confident | 12 Ų | 12 | 37 Ų | 37 | 8% | 0.084 | 20% | 0.2 | C | C | . | . | trans | -72 | 148.3 | -178.1 | 67.7 | 0 | 0 | 0 | 0 | 113.3 | E39 G40 D41 C42 I63 G64 Q72 | E39-S67 PolarHBondContact O-N 2.73Å; G40-S67 WeakPolarHBondContact O-CA 3.43Å; D41-S67 WeakPolarHBondContact O-CB 3.3Å; C42-S67 PolarHBondContact SG-OG 2.87Å; I63-S67 WeakPolarHBondContact CG2-OG 3.36Å; G64-S67 VanDerWaalsContact O-CB 3.29Å; G64-S67 WeakPolarHBondContact O-CB 3.33Å; G64-S67 PolarHBondContact O-N 2.88Å; G64-S67 VanDerWaalsContact O-N 3.13Å; G64-S67 PolarHBondContact O-OG 2.82Å; S67-Q72 PolarHBondContact O-NE2 2.76Å; S67-Q72 VanDerWaalsContact O-NE2 3.13Å; S67-Q72 PolarHBondContact OG-NE2 3.12Å; S67-Q72 VanDerWaalsContact OG-NE2 3.17Å | ||
| 68 | S | 87.6 | Confident | 88.2 | Confident | 48 Ų | 48 | 37.4 Ų | 37.4 | 34% | 0.336 | 20% | 0.201 | S | C | . | . | trans | -74.6 | 152 | -178.3 | 69.4 | 0 | 0 | 0 | 0 | 112.8 | D70 E71 Q72 | S68-D70 PolarHBondContact O-N 2.82Å; S68-E71 WeakPolarHBondContact CB-OE2 3.4Å; S68-E71 PolarHBondContact N-OE2 2.82Å; S68-E71 PolarHBondContact O-N 2.86Å; S68-E71 WeakPolarHBondContact OG-CB 3.26Å; S68-E71 WeakPolarHBondContact OG-CG 3.44Å; S68-E71 PolarHBondContact OG-N 3.42Å; S68-E71 PolarHBondContact OG-OE2 3.13Å; S68-Q72 WeakPolarHBondContact O-CG 3.45Å; S68-Q72 PolarHBondContact O-N 2.85Å | ||
| 69 | Q | 84.2 | Confident | 88.5 | Confident | 128 Ų | 128 | 36.6 Ų | 36.6 | 60% | 0.598 | 20% | 0.197 | S | C | * | . | H | α-helix | trans | -60 | -33.4 | 177.6 | -173.9 | 62 | 45.6 | 0 | 0 | 112.4 | S73 | Q69-S73 WeakPolarHBondContact O-CB 3.5Å; Q69-S73 PolarHBondContact O-N 2.79Å; Q69-S73 PolarHBondContact O-OG 3.05Å |
| 70 | D | 84.5 | Confident | 88.1 | Confident | 112 Ų | 112 | 38.6 Ų | 38.6 | 60% | 0.599 | 21% | 0.209 | S | C | * | . | H | α-helix | trans | -69.7 | -42.2 | 178.9 | -66.1 | -21.5 | 0 | 0 | 0 | 110.9 | M24 S68 S73 C74 | M24-D70 HydrophobicContact CE-CB 3.33Å; M24-D70 HydrophobicContact SD-CB 4.22Å; S68-D70 PolarHBondContact O-N 2.82Å; D70-S73 PolarHBondContact O-N 3.15Å; D70-C74 VanDerWaalsContact O-CB 3.24Å; D70-C74 WeakPolarHBondContact O-CB 3.47Å; D70-C74 PolarHBondContact O-N 2.92Å |
| 71 | E | 86.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 6% | 0.056 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 175 | -74.3 | 164 | 151.4 | 0 | 0 | 112.1 | I21 M24 C42 S68 C74 A75 | I21-E71 HydrophobicContact CG2-CB 4.29Å; I21-E71 HydrophobicContact CG2-CG 4.06Å; M24-E71 HydrophobicContact CE-CG 3.91Å; M24-E71 HydrophobicContact SD-CG 4.37Å; C42-E71 HydrophobicContact CB-CB 4.31Å; S68-E71 WeakPolarHBondContact CB-OE2 3.4Å; S68-E71 PolarHBondContact N-OE2 2.82Å; S68-E71 PolarHBondContact O-N 2.86Å; S68-E71 WeakPolarHBondContact OG-CB 3.26Å; S68-E71 WeakPolarHBondContact OG-CG 3.44Å; S68-E71 PolarHBondContact OG-N 3.42Å; S68-E71 PolarHBondContact OG-OE2 3.13Å; E71-C74 WeakPolarHBondContact O-CB 3.2Å; E71-C74 PolarHBondContact O-N 3.39Å; E71-A75 WeakPolarHBondContact O-CB 3.23Å; E71-A75 PolarHBondContact O-N 3.22Å |
| 72 | Q | 88.6 | Confident | 87.2 | Confident | 42 Ų | 42 | 41.6 Ų | 41.6 | 20% | 0.196 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.7 | -69.7 | 177.7 | 39.4 | 0 | 0 | 111.5 | C42 I63 S67 S68 C74 A75 A76 | C42-Q72 VanDerWaalsContact SG-CG 3.52Å; I63-Q72 HydrophobicContact CD1-CG 4.31Å; I63-Q72 HydrophobicContact CG1-CG 4.24Å; I63-Q72 HydrophobicContact CG2-CG 3.68Å; S67-Q72 PolarHBondContact O-NE2 2.76Å; S67-Q72 VanDerWaalsContact O-NE2 3.13Å; S67-Q72 PolarHBondContact OG-NE2 3.12Å; S67-Q72 VanDerWaalsContact OG-NE2 3.17Å; S68-Q72 WeakPolarHBondContact O-CG 3.45Å; S68-Q72 PolarHBondContact O-N 2.85Å; Q72-C74 VanDerWaalsContact C-N 3.32Å; Q72-A75 PolarHBondContact O-N 2.87Å; Q72-A76 PolarHBondContact O-N 2.94Å; Q72-A76 VanDerWaalsContact O-N 3.16Å |
| 73 | S | 81.6 | Confident | 86.6 | Confident | 49 Ų | 49 | 42 Ų | 42 | 34% | 0.343 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -65.5 | -39.7 | 177.7 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | Q69 D70 A76 I77 | Q69-S73 WeakPolarHBondContact O-CB 3.5Å; Q69-S73 PolarHBondContact O-N 2.79Å; Q69-S73 PolarHBondContact O-OG 3.05Å; D70-S73 PolarHBondContact O-N 3.15Å; S73-A76 PolarHBondContact O-N 3.36Å; S73-I77 VanDerWaalsContact O-CG1 3.26Å; S73-I77 WeakPolarHBondContact O-CG1 3.47Å; S73-I77 PolarHBondContact O-N 3.31Å |
| 74 | C | 86.8 | Confident | 85.9 | Confident | 13 Ų | 13 | 45.4 Ų | 45.4 | 9% | 0.088 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.1 | -46.5 | 175.8 | -172 | 0 | 0 | 0 | 0 | 112 | I21 M24 D70 E71 Q72 A76 I77 Y78 | I21-C74 HydrophobicContact CG2-CB 4.19Å; M24-C74 PolarHBondContact O-SG 3.21Å; M24-C74 HydrophobicContact SD-CB 3.77Å; D70-C74 VanDerWaalsContact O-CB 3.24Å; D70-C74 WeakPolarHBondContact O-CB 3.47Å; D70-C74 PolarHBondContact O-N 2.92Å; E71-C74 WeakPolarHBondContact O-CB 3.2Å; E71-C74 PolarHBondContact O-N 3.39Å; Q72-C74 VanDerWaalsContact C-N 3.32Å; C74-A76 VanDerWaalsContact C-N 3.34Å; C74-A76 PolarHBondContact O-N 3.48Å; C74-I77 PolarHBondContact O-N 3.43Å; C74-Y78 WeakPolarHBondContact O-CD2 3.34Å; C74-Y78 PolarHBondContact O-N 2.99Å; C74-Y78 VanDerWaalsContact SG-CD2 3.59Å; C74-Y78 WeakPolarHBondContact SG-CE2 3.37Å |
| 75 | A | 89.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I21 C42 V44 F61 E71 Q72 Y78 T79 | I21-A75 HydrophobicContact CD1-CB 4.33Å; I21-A75 HydrophobicContact CG1-CB 4.03Å; C42-A75 HydrophobicContact CB-CB 3.85Å; V44-A75 HydrophobicContact CG2-CB 4.21Å; F61-A75 HydrophobicContact CB-CB 4.2Å; F61-A75 HydrophobicContact CD2-CB 4.29Å; E71-A75 WeakPolarHBondContact O-CB 3.23Å; E71-A75 PolarHBondContact O-N 3.22Å; Q72-A75 PolarHBondContact O-N 2.87Å; A75-Y78 PolarHBondContact O-N 2.72Å; A75-T79 WeakPolarHBondContact O-CB 3.26Å; A75-T79 PolarHBondContact O-N 3.42Å; A75-T79 PolarHBondContact O-OG1 2.96Å |
| 76 | A | 83.7 | Confident | 85.2 | Confident | 32 Ų | 32 | 47.5 Ų | 47.5 | 26% | 0.264 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -66.4 | -40.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F61 Q72 S73 C74 T79 T80 | F61-A76 HydrophobicContact CE2-CB 4.26Å; F61-A76 HydrophobicContact CZ-CB 4.5Å; Q72-A76 PolarHBondContact O-N 2.94Å; Q72-A76 VanDerWaalsContact O-N 3.16Å; S73-A76 PolarHBondContact O-N 3.36Å; C74-A76 VanDerWaalsContact C-N 3.34Å; C74-A76 PolarHBondContact O-N 3.48Å; A76-T79 PolarHBondContact O-N 2.92Å; A76-T80 PolarHBondContact O-N 3.43Å; A76-T80 VanDerWaalsContact O-N 3.1Å; A76-T80 PolarHBondContact O-OG1 3.21Å |
| 77 | I | 84.2 | Confident | 84.5 | Confident | 93 Ų | 93 | 46.1 Ų | 46.1 | 48% | 0.477 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.8 | -47.8 | 174.6 | -70.8 | 164.9 | 0 | 0 | 0 | 110.2 | S73 C74 T79 T80 Q81 | S73-I77 VanDerWaalsContact O-CG1 3.26Å; S73-I77 WeakPolarHBondContact O-CG1 3.47Å; S73-I77 PolarHBondContact O-N 3.31Å; C74-I77 PolarHBondContact O-N 3.43Å; I77-T79 VanDerWaalsContact C-N 3.34Å; I77-T79 PolarHBondContact O-N 3.17Å; I77-T80 PolarHBondContact O-N 2.95Å; I77-Q81 HydrophobicContact CG2-CG 4.38Å; I77-Q81 WeakPolarHBondContact O-CG 3.49Å; I77-Q81 PolarHBondContact O-N 3.1Å |
| 78 | Y | 89.9 | Confident | 83.5 | Confident | 25 Ų | 25 | 46.6 Ų | 46.6 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.5 | -36.3 | 179.7 | -81.2 | -49.9 | 0 | 0 | 0 | 113.2 | T4 F7 I21 M24 L26 C74 A75 T80 Q81 L82 | T4-Y78 HydrophobicContact CG2-CE1 3.65Å; F7-Y78 HydrophobicContact CZ-CD1 4.46Å; I21-Y78 HydrophobicContact CD1-CD2 3.75Å; I21-Y78 HydrophobicContact CD1-CE2 4.27Å; M24-Y78 PolarHBondContact O-OH 3Å; M24-Y78 VanDerWaalsContact O-OH 3.12Å; L26-Y78 HydrophobicContact CD1-CD1 3.7Å; L26-Y78 HydrophobicContact CD1-CD2 4.17Å; L26-Y78 HydrophobicContact CD1-CE1 4.19Å; L26-Y78 HydrophobicContact CD1-CG 3.72Å; L26-Y78 HydrophobicContact CD2-CD2 3.95Å; L26-Y78 HydrophobicContact CD2-CG 4.12Å; L26-Y78 HydrophobicContact CG-CD1 4.09Å; L26-Y78 HydrophobicContact CG-CD2 3.68Å; L26-Y78 HydrophobicContact CG-CE1 4.35Å; L26-Y78 HydrophobicContact CG-CE2 3.89Å; L26-Y78 HydrophobicContact CG-CG 3.77Å; C74-Y78 WeakPolarHBondContact O-CD2 3.34Å; C74-Y78 PolarHBondContact O-N 2.99Å; C74-Y78 VanDerWaalsContact SG-CD2 3.59Å; C74-Y78 WeakPolarHBondContact SG-CE2 3.37Å; A75-Y78 PolarHBondContact O-N 2.72Å; Y78-T80 VanDerWaalsContact C-N 3.33Å; Y78-T80 PolarHBondContact O-N 3.5Å; Y78-Q81 PolarHBondContact O-N 3.37Å; Y78-L82 VanDerWaalsContact O-CB 3.23Å; Y78-L82 WeakPolarHBondContact O-CB 3.36Å; Y78-L82 PolarHBondContact O-N 3.01Å |
| 79 | T | 89 | Confident | 82.5 | Confident | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.006 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -45.9 | 172.2 | -60.6 | 0 | 0 | 0 | 0 | 111.2 | I59 F61 A75 A76 I77 L82 D83 Q92 | I59-T79 HydrophobicContact CB-CG2 4.36Å; I59-T79 HydrophobicContact CG2-CG2 3.73Å; F61-T79 WeakPolarHBondContact CB-OG1 3.38Å; F61-T79 HydrophobicContact CD1-CG2 3.92Å; F61-T79 HydrophobicContact CE1-CG2 4.43Å; A75-T79 WeakPolarHBondContact O-CB 3.26Å; A75-T79 PolarHBondContact O-N 3.42Å; A75-T79 PolarHBondContact O-OG1 2.96Å; A76-T79 PolarHBondContact O-N 2.92Å; I77-T79 VanDerWaalsContact C-N 3.34Å; I77-T79 PolarHBondContact O-N 3.17Å; T79-L82 PolarHBondContact O-N 2.94Å; T79-D83 WeakPolarHBondContact O-CB 3.45Å; T79-D83 PolarHBondContact O-N 3.45Å; T79-Q92 HydrophobicContact CG2-CB 4.29Å; T79-Q92 HydrophobicContact CG2-CG 4.09Å |
| 80 | T | 83.2 | Confident | 82.4 | Confident | 41 Ų | 41 | 41.3 Ų | 41.3 | 25% | 0.252 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 179.1 | -54.1 | 0 | 0 | 0 | 0 | 111.7 | A76 I77 Y78 L82 D83 D84 | A76-T80 PolarHBondContact O-N 3.43Å; A76-T80 VanDerWaalsContact O-N 3.1Å; A76-T80 PolarHBondContact O-OG1 3.21Å; I77-T80 PolarHBondContact O-N 2.95Å; Y78-T80 VanDerWaalsContact C-N 3.33Å; Y78-T80 PolarHBondContact O-N 3.5Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 PolarHBondContact O-N 3.47Å; T80-D83 PolarHBondContact O-N 2.85Å; T80-D84 PolarHBondContact O-N 2.93Å |
| 81 | Q | 84.9 | Confident | 82.1 | Confident | 68 Ų | 68 | 36.5 Ų | 36.5 | 32% | 0.318 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -65.8 | -36.2 | 176.7 | -71.2 | 177.7 | 6.2 | 0 | 0 | 112.2 | F7 I77 Y78 Y85 | F7-Q81 HydrophobicContact CE2-CB 3.94Å; F7-Q81 HydrophobicContact CZ-CB 3.91Å; I77-Q81 HydrophobicContact CG2-CG 4.38Å; I77-Q81 WeakPolarHBondContact O-CG 3.49Å; I77-Q81 PolarHBondContact O-N 3.1Å; Y78-Q81 PolarHBondContact O-N 3.37Å; Q81-Y85 WeakPolarHBondContact O-CB 3.39Å; Q81-Y85 PolarHBondContact O-N 3.43Å |
| 82 | L | 86 | Confident | 82.1 | Confident | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.2 | -40.5 | 177.2 | -178.1 | 58.6 | 0 | 0 | 0 | 111.4 | F7 V10 W19 V44 L46 I59 Y78 T79 T80 Y85 L86 | F7-L82 HydrophobicContact CD1-CD1 4.08Å; F7-L82 HydrophobicContact CE1-CB 4.04Å; F7-L82 HydrophobicContact CE1-CD1 4.04Å; F7-L82 HydrophobicContact CE2-CB 4.47Å; F7-L82 HydrophobicContact CG-CD1 4.42Å; F7-L82 HydrophobicContact CZ-CB 3.82Å; F7-L82 HydrophobicContact CZ-CD1 4.35Å; V10-L82 HydrophobicContact CG1-CD1 4.35Å; V10-L82 HydrophobicContact CG2-CD1 3.64Å; W19-L82 HydrophobicContact CZ3-CD2 4.27Å; V44-L82 HydrophobicContact CG1-CD2 4.3Å; L46-L82 HydrophobicContact CB-CD2 4.28Å; I59-L82 HydrophobicContact CD1-CB 4.09Å; I59-L82 HydrophobicContact CD1-CD2 4.09Å; I59-L82 HydrophobicContact CD1-CG 3.79Å; I59-L82 HydrophobicContact CG1-CD2 4.11Å; I59-L82 HydrophobicContact CG1-CG 4.32Å; I59-L82 HydrophobicContact CG2-CD2 3.98Å; Y78-L82 VanDerWaalsContact O-CB 3.23Å; Y78-L82 WeakPolarHBondContact O-CB 3.36Å; Y78-L82 PolarHBondContact O-N 3.01Å; T79-L82 PolarHBondContact O-N 2.94Å; T80-L82 VanDerWaalsContact C-N 3.32Å; T80-L82 PolarHBondContact O-N 3.47Å; L82-Y85 HydrophobicContact CD1-CD1 4.29Å; L82-Y85 WeakPolarHBondContact O-CB 3.35Å; L82-Y85 PolarHBondContact O-N 2.92Å; L82-L86 HydrophobicContact CD1-CD1 4.1Å; L82-L86 HydrophobicContact CD1-CG 4.36Å; L82-L86 HydrophobicContact CG-CD1 4.15Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.12Å; L82-L86 PolarHBondContact O-N 3.23Å |
| 83 | D | 82.1 | Confident | 81.9 | Confident | 8 Ų | 8 | 34.7 Ų | 34.7 | 4% | 0.043 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.4 | -49.3 | 172 | -174.2 | 36.5 | 0 | 0 | 0 | 111.2 | I59 T79 T80 Y85 L86 G87 G88 P90 Q92 K296 | I59-D83 HydrophobicContact CD1-CB 3.97Å; T79-D83 WeakPolarHBondContact O-CB 3.45Å; T79-D83 PolarHBondContact O-N 3.45Å; T80-D83 PolarHBondContact O-N 2.85Å; D83-Y85 VanDerWaalsContact C-N 3.29Å; D83-Y85 PolarHBondContact O-N 3.46Å; D83-L86 CarbonylContact O-C 3.54Å; D83-L86 PolarHBondContact O-N 3.36Å; D83-L86 VanDerWaalsContact O-N 3.17Å; D83-G87 PolarHBondContact O-N 3.01Å; D83-G88 WeakPolarHBondContact O-CA 3.39Å; D83-G88 PolarHBondContact O-N 3.31Å; D83-G88 WeakPolarHBondContact OD1-CA 3.3Å; D83-P90 WeakPolarHBondContact OD1-CD 3.25Å; D83-Q92 HydrophobicContact CB-CG 4.46Å; D83-Q92 VanDerWaalsContact CB-NE2 3.3Å; D83-Q92 PolarHBondContact OD2-NE2 3Å; D83-K296 IonicContact OD2-NZ 3.12Å |
| 84 | D | 80.3 | Confident | 82.3 | Confident | 80 Ų | 80 | 33.3 Ų | 33.3 | 43% | 0.428 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.6 | -38.8 | 175.8 | -87.5 | -9.1 | 0 | 0 | 0 | 111.7 | T80 G87 | T80-D84 PolarHBondContact O-N 2.93Å; D84-G87 PolarHBondContact O-N 3.3Å |
| 85 | Y | 82.6 | Confident | 82.4 | Confident | 105 Ų | 105 | 32.8 Ų | 32.8 | 41% | 0.412 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.7 | -39.4 | 176.7 | 176.7 | -110 | 0 | 0 | 0 | 112.5 | L3 F7 V10 Q81 L82 D83 G87 | L3-Y85 HydrophobicContact CD2-CD2 3.34Å; L3-Y85 HydrophobicContact CD2-CE2 3.27Å; L3-Y85 HydrophobicContact CD2-CG 4.28Å; F7-Y85 HydrophobicContact CB-CD1 4.34Å; F7-Y85 HydrophobicContact CB-CE1 4.24Å; F7-Y85 HydrophobicContact CD2-CD1 4.32Å; F7-Y85 HydrophobicContact CD2-CG 4.04Å; V10-Y85 HydrophobicContact CB-CD1 4.49Å; V10-Y85 HydrophobicContact CB-CE1 3.95Å; V10-Y85 HydrophobicContact CG1-CD1 4.26Å; V10-Y85 HydrophobicContact CG1-CE1 3.95Å; Q81-Y85 WeakPolarHBondContact O-CB 3.39Å; Q81-Y85 PolarHBondContact O-N 3.43Å; L82-Y85 HydrophobicContact CD1-CD1 4.29Å; L82-Y85 WeakPolarHBondContact O-CB 3.35Å; L82-Y85 PolarHBondContact O-N 2.92Å; D83-Y85 VanDerWaalsContact C-N 3.29Å; D83-Y85 PolarHBondContact O-N 3.46Å; Y85-G87 PolarHBondContact O-N 3.08Å |
| 86 | L | 78.5 | Confident | 82.2 | Confident | 28 Ų | 28 | 33.6 Ų | 33.6 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81 | 9.3 | 177.2 | -69.9 | 173.3 | 0 | 0 | 0 | 113 | V10 L46 I59 L82 D83 S89 P90 | V10-L86 HydrophobicContact CG1-CD1 4.37Å; V10-L86 HydrophobicContact CG1-CD2 3.55Å; V10-L86 HydrophobicContact CG1-CG 4.24Å; L46-L86 HydrophobicContact CD1-CD1 3.76Å; L46-L86 HydrophobicContact CD2-CD1 4.09Å; I59-L86 HydrophobicContact CD1-CD1 4.32Å; L82-L86 HydrophobicContact CD1-CD1 4.1Å; L82-L86 HydrophobicContact CD1-CG 4.36Å; L82-L86 HydrophobicContact CG-CD1 4.15Å; L82-L86 WeakPolarHBondContact O-CB 3.3Å; L82-L86 WeakPolarHBondContact O-CG 3.12Å; L82-L86 PolarHBondContact O-N 3.23Å; D83-L86 CarbonylContact O-C 3.54Å; D83-L86 PolarHBondContact O-N 3.36Å; D83-L86 VanDerWaalsContact O-N 3.17Å; L86-S89 PolarHBondContact O-OG 3.42Å; L86-P90 HydrophobicContact CB-CG 3.59Å; L86-P90 HydrophobicContact CD1-CG 3.52Å; L86-P90 HydrophobicContact CG-CG 4.19Å |
| 87 | G | 72.6 | Confident | 82.1 | Confident | 70 Ų | 70 | 32.2 Ų | 32.2 | 72% | 0.722 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 79 | 16.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | D83 D84 Y85 S89 | D83-G87 PolarHBondContact O-N 3.01Å; D84-G87 PolarHBondContact O-N 3.3Å; Y85-G87 PolarHBondContact O-N 3.08Å; G87-S89 VanDerWaalsContact C-N 3.28Å; G87-S89 PolarHBondContact O-N 3.03Å |
| 88 | G | 67.3 | Low | 81.4 | Confident | 22 Ų | 22 | 31.3 Ų | 31.3 | 23% | 0.227 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 74.2 | 14.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | D83 N331 | D83-G88 WeakPolarHBondContact O-CA 3.39Å; D83-G88 PolarHBondContact O-N 3.31Å; D83-G88 WeakPolarHBondContact OD1-CA 3.3Å; G88-N331 VanDerWaalsContact O-CG 3.31Å; G88-N331 PolarHBondContact O-ND2 3.22Å |
| 89 | S | 67.3 | Low | 80.5 | Confident | 66 Ų | 66 | 34.6 Ų | 34.6 | 46% | 0.462 | 19% | 0.194 | S | C | . | . | trans | -82 | -32.6 | 177 | 54.8 | 0 | 0 | 0 | 0 | 115.7 | L86 G87 | L86-S89 PolarHBondContact O-OG 3.42Å; G87-S89 VanDerWaalsContact C-N 3.28Å; G87-S89 PolarHBondContact O-N 3.03Å | ||
| 90 | P | 81.4 | Confident | 80 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -62.7 | 151.7 | -177.8 | -24 | 33.4 | 0 | 0 | 0 | 115.1 | Q57 I59 D83 L86 N331 | Q57-P90 HydrophobicContact CB-CB 4.01Å; Q57-P90 HydrophobicContact CB-CG 3.95Å; Q57-P90 VanDerWaalsContact O-CA 3.26Å; Q57-P90 WeakPolarHBondContact O-CA 3.28Å; I59-P90 HydrophobicContact CD1-CB 3.73Å; I59-P90 HydrophobicContact CD1-CG 3.96Å; I59-P90 HydrophobicContact CG1-CB 3.79Å; I59-P90 HydrophobicContact CG1-CG 4.32Å; D83-P90 WeakPolarHBondContact OD1-CD 3.25Å; L86-P90 HydrophobicContact CB-CG 3.59Å; L86-P90 HydrophobicContact CD1-CG 3.52Å; L86-P90 HydrophobicContact CG-CG 4.19Å; P90-N331 PolarHBondContact O-ND2 3.41Å; P90-N331 VanDerWaalsContact O-ND2 3.13Å |
| 91 | V | 79.1 | Confident | 79.3 | Confident | 11 Ų | 11 | 33.2 Ų | 33.2 | 7% | 0.067 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 132.7 | 167.2 | -177.2 | 0 | 0 | 0 | 0 | 108.5 | Q57 D58 I59 H93 E328 T329 | Q57-V91 PolarHBondContact O-N 2.86Å; D58-V91 CarbonylContact C-O 3.51Å; D58-V91 WeakPolarHBondContact CA-O 3.26Å; I59-V91 PolarHBondContact N-O 3.23Å; V91-H93 WeakPolarHBondContact CG1-NE2 3.31Å; V91-E328 HydrophobicContact CG1-CG 3.88Å; V91-T329 WeakPolarHBondContact CG1-O 3.31Å |
| 92 | Q | 86.1 | Confident | 78 | Confident | 10 Ų | 10 | 35.6 Ų | 35.6 | 5% | 0.047 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 137.1 | 179.8 | -58.4 | -178.6 | 22.6 | 0 | 0 | 111.5 | I59 T79 D83 M309 E328 T329 | I59-Q92 CarbonylContact O-C 3.59Å; I59-Q92 VanDerWaalsContact O-CA 3.31Å; I59-Q92 WeakPolarHBondContact O-CA 3.47Å; T79-Q92 HydrophobicContact CG2-CB 4.29Å; T79-Q92 HydrophobicContact CG2-CG 4.09Å; D83-Q92 HydrophobicContact CB-CG 4.46Å; D83-Q92 VanDerWaalsContact CB-NE2 3.3Å; D83-Q92 PolarHBondContact OD2-NE2 3Å; Q92-M309 HydrophobicContact CB-CE 4.31Å; Q92-E328 CarbonylContact O-C 3.58Å; Q92-E328 WeakPolarHBondContact O-CA 3.46Å; Q92-T329 PolarHBondContact N-O 3.21Å; Q92-T329 VanDerWaalsContact N-O 3.12Å; Q92-T329 PolarHBondContact O-N 3.47Å |
| 93 | H | 85.1 | Confident | 77.1 | Confident | 5 Ų | 5 | 37.9 Ų | 37.9 | 2% | 0.023 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 129.3 | -178.3 | -55.8 | -91.5 | 0 | 0 | 0 | 110.7 | D58 I59 H60 F61 V91 E95 E328 | D58-H93 IonicContact OD1-CD2 3.62Å; D58-H93 IonicContact OD1-CE1 3.75Å; D58-H93 IonicContact OD1-NE2 2.71Å; D58-H93 PolarHBondContact OD1-NE2 3.25Å; I59-H93 PolarHBondContact O-N 3.34Å; H60-H93 CarbonylContact C-O 3.55Å; H60-H93 WeakPolarHBondContact CA-O 3.48Å; H60-H93 HydrophobicContact CB-CB 4.27Å; H60-H93 AromaticContact CD2-CD2 3.95Å; H60-H93 AromaticContact CE1-CD2 3.28Å; H60-H93 PolarHBondContact CE1-CD2 3.19Å; H60-H93 AromaticContact CE1-CG 3.41Å; H60-H93 VanDerWaalsContact CE1-CG 3.41Å; H60-H93 AromaticContact CE1-NE2 3.8Å; H60-H93 VanDerWaalsContact ND1-CB 3.27Å; H60-H93 WeakPolarHBondContact ND1-CB 3.34Å; H60-H93 AromaticContact ND1-CD2 3.67Å; H60-H93 AromaticContact ND1-CG 3.5Å; H60-H93 AromaticContact NE2-CD2 3.49Å; H60-H93 PolarHBondContact NE2-CD2 3.14Å; H60-H93 AromaticContact NE2-NE2 3.96Å; F61-H93 VanDerWaalsContact CD1-O 3.23Å; F61-H93 WeakPolarHBondContact CD1-O 3.46Å; F61-H93 PolarHBondContact N-O 3.41Å; V91-H93 WeakPolarHBondContact CG1-NE2 3.31Å; H93-E95 WeakPolarHBondContact CB-OE1 3.16Å; H93-E328 IonicContact CE1-OE2 3.62Å |
| 94 | R | 89.7 | Confident | 77 | Confident | 21 Ų | 21 | 37.5 Ų | 37.5 | 8% | 0.079 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 115.9 | 167.6 | 179.6 | 175.2 | 179.2 | -90.7 | -2.4 | 109.3 | F61 I63 V96 S323 T325 V327 | F61-R94 HydrophobicContact CE1-CB 3.67Å; F61-R94 HydrophobicContact CE1-CG 4.15Å; F61-R94 HydrophobicContact CE2-CB 4.21Å; F61-R94 HydrophobicContact CE2-CG 3.75Å; F61-R94 HydrophobicContact CZ-CB 3.47Å; F61-R94 VanDerWaalsContact CZ-CB 3.47Å; F61-R94 HydrophobicContact CZ-CG 3.48Å; F61-R94 VanDerWaalsContact CZ-CG 3.48Å; I63-R94 HydrophobicContact CD1-CG 4.43Å; R94-V96 VanDerWaalsContact CZ-CG2 3.47Å; R94-S323 PolarHBondContact NH1-O 3.03Å; R94-S323 PolarHBondContact NH2-O 3.32Å; R94-S323 VanDerWaalsContact NH2-O 3.13Å; R94-T325 PolarHBondContact NH1-O 3.33Å; R94-V327 HydrophobicContact CB-CB 4.13Å; R94-V327 PolarHBondContact N-O 3.47Å |
| 95 | E | 89.1 | Confident | 76.3 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 129.7 | -179.3 | -50.6 | -64.9 | 178.6 | 0 | 0 | 109.9 | H60 F61 W62 I63 H93 E100 S101 F104 | H60-E95 HydrophobicContact CB-CG 3.93Å; H60-E95 IonicContact CE1-OE1 3.72Å; H60-E95 IonicContact CG-OE1 2.73Å; H60-E95 IonicContact ND1-OE1 3.69Å; H60-E95 PolarHBondContact ND1-OE1 3.42Å; F61-E95 PolarHBondContact O-N 3.1Å; W62-E95 CarbonylContact C-O 3.58Å; W62-E95 VanDerWaalsContact CA-O 3.32Å; W62-E95 WeakPolarHBondContact CA-O 3.04Å; W62-E95 HydrophobicContact CB-CB 4.14Å; W62-E95 HydrophobicContact CG-CB 4.35Å; I63-E95 PolarHBondContact N-O 3.2Å; H93-E95 WeakPolarHBondContact CB-OE1 3.16Å; E95-E100 HydrophobicContact CB-CG 4.47Å; E95-E100 WeakPolarHBondContact OE2-CA 3.38Å; E95-S101 WeakPolarHBondContact OE1-CB 3.34Å; E95-S101 PolarHBondContact OE1-OG 3.13Å; E95-S101 PolarHBondContact OE2-N 2.86Å; E95-S101 PolarHBondContact OE2-OG 3.04Å; E95-F104 HydrophobicContact CG-CB 4.14Å; E95-F104 HydrophobicContact CG-CD2 3.8Å; E95-F104 HydrophobicContact CG-CE2 4.31Å; E95-F104 HydrophobicContact CG-CG 3.95Å; E95-F104 WeakPolarHBondContact OE1-CB 3.21Å |
| 96 | V | 83.8 | Confident | 75.2 | Confident | 17 Ų | 17 | 34 Ų | 34 | 10% | 0.103 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 137.6 | 176.6 | -175.9 | 0 | 0 | 0 | 0 | 109 | R94 Y98 H99 E100 | R94-V96 VanDerWaalsContact CZ-CG2 3.47Å; V96-Y98 PolarHBondContact O-N 2.96Å; V96-H99 CarbonylContact O-C 3.54Å; V96-H99 WeakPolarHBondContact O-CA 3.09Å; V96-H99 PolarHBondContact O-N 3.06Å; V96-E100 PolarHBondContact O-N 2.9Å |
| 97 | Q | 81.1 | Confident | 75.1 | Confident | 3 Ų | 3 | 34.4 Ų | 34.4 | 1% | 0.014 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -45.7 | 132.3 | 177.8 | -176 | 175.1 | -8.7 | 0 | 0 | 111.8 | E39 W62 I63 K65 H99 E100 Y114 | E39-Q97 PolarHBondContact OE1-NE2 3.17Å; W62-Q97 HydrophobicContact CH2-CB 4.13Å; W62-Q97 HydrophobicContact CH2-CG 4.27Å; W62-Q97 HydrophobicContact CZ2-CB 3.54Å; W62-Q97 HydrophobicContact CZ2-CG 3.69Å; I63-Q97 WeakPolarHBondContact O-CB 3.43Å; I63-Q97 PolarHBondContact O-N 3.22Å; K65-Q97 HydrophobicContact CB-CB 4.42Å; Q97-H99 PolarHBondContact O-CD2 3.49Å; Q97-H99 PolarHBondContact O-N 3.5Å; Q97-E100 VanDerWaalsContact CA-OE1 3.29Å; Q97-E100 WeakPolarHBondContact CA-OE1 3.39Å; Q97-Y114 HydrophobicContact CG-CD1 3.93Å; Q97-Y114 HydrophobicContact CG-CE1 3.81Å; Q97-Y114 HydrophobicContact CG-CG 4.37Å |
| 98 | Y | 70.4 | Confident | 75.2 | Confident | 75 Ų | 75 | 31.9 Ų | 31.9 | 29% | 0.294 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -10.3 | -176 | -47.8 | -62.8 | 0 | 0 | 0 | 116.1 | E39 K65 V96 E100 Y114 | E39-Y98 PolarHBondContact OE1-OH 3.02Å; K65-Y98 HydrophobicContact CD-CE2 3.68Å; K65-Y98 PolarHBondContact NZ-OH 2.99Å; V96-Y98 PolarHBondContact O-N 2.96Å; Y98-E100 PolarHBondContact N-OE1 2.85Å; Y98-E100 VanDerWaalsContact N-OE1 3.08Å; Y98-E100 PolarHBondContact N-OE2 2.65Å; Y98-Y114 AromaticContact CD1-CD2 3.99Å; Y98-Y114 HydrophobicContact CD1-CD2 3.99Å; Y98-Y114 AromaticContact CD1-CE2 3.45Å; Y98-Y114 HydrophobicContact CD1-CE2 3.45Å; Y98-Y114 VanDerWaalsContact CD1-CE2 3.45Å; Y98-Y114 AromaticContact CE1-CD2 3.47Å; Y98-Y114 HydrophobicContact CE1-CD2 3.47Å; Y98-Y114 VanDerWaalsContact CE1-CD2 3.47Å; Y98-Y114 AromaticContact CE1-CE2 3.46Å; Y98-Y114 HydrophobicContact CE1-CE2 3.46Å; Y98-Y114 VanDerWaalsContact CE1-CE2 3.46Å; Y98-Y114 HydrophobicContact CE1-CG 4.37Å |
| 99 | H | 70.9 | Confident | 74.4 | Confident | 93 Ų | 93 | 38.6 Ų | 38.6 | 43% | 0.431 | 20% | 0.195 | S | C | . | . | trans | -122.5 | 16 | -175.5 | -66.3 | -87.2 | 0 | 0 | 0 | 112.5 | V96 Q97 S324 N326 | V96-H99 CarbonylContact O-C 3.54Å; V96-H99 WeakPolarHBondContact O-CA 3.09Å; V96-H99 PolarHBondContact O-N 3.06Å; Q97-H99 PolarHBondContact O-CD2 3.49Å; Q97-H99 PolarHBondContact O-N 3.5Å; H99-S324 VanDerWaalsContact CD2-CB 3.45Å; H99-S324 WeakPolarHBondContact CD2-CB 3.25Å; H99-N326 VanDerWaalsContact O-CG 3.25Å; H99-N326 PolarHBondContact O-ND2 2.63Å; H99-N326 PolarHBondContact O-OD1 2.83Å | ||
| 100 | E | 78.3 | Confident | 73.5 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 1% | 0.014 | 21% | 0.207 | C | C | . | . | trans | -55.2 | 155.9 | -175.4 | -56.4 | 82.5 | 179.7 | 0 | 0 | 113.6 | W62 E95 V96 Q97 Y98 F104 R105 I112 Y114 | W62-E100 PolarHBondContact NE1-OE1 3.14Å; E95-E100 HydrophobicContact CB-CG 4.47Å; E95-E100 WeakPolarHBondContact OE2-CA 3.38Å; V96-E100 PolarHBondContact O-N 2.9Å; Q97-E100 VanDerWaalsContact CA-OE1 3.29Å; Q97-E100 WeakPolarHBondContact CA-OE1 3.39Å; Y98-E100 PolarHBondContact N-OE1 2.85Å; Y98-E100 VanDerWaalsContact N-OE1 3.08Å; Y98-E100 PolarHBondContact N-OE2 2.65Å; E100-F104 HydrophobicContact CB-CB 4.42Å; E100-F104 HydrophobicContact CB-CD1 3.72Å; E100-F104 HydrophobicContact CB-CE1 4.44Å; E100-F104 HydrophobicContact CB-CG 4.41Å; E100-F104 HydrophobicContact CG-CD1 3.68Å; E100-F104 HydrophobicContact CG-CE1 3.89Å; E100-R105 HydrophobicContact CB-CG 4.2Å; E100-R105 PolarHBondContact O-NH1 2.71Å; E100-R105 PolarHBondContact O-NH2 3.21Å; E100-R105 IonicContact OE2-NH2 3.4Å; E100-I112 HydrophobicContact CG-CD1 4.49Å; E100-Y114 PolarHBondContact OE1-OH 2.8Å; E100-Y114 PolarHBondContact OE2-OH 2.82Å | ||
| 101 | S | 68.3 | Low | 71.9 | Confident | 10 Ų | 10 | 44.7 Ų | 44.7 | 7% | 0.07 | 23% | 0.227 | C | C | . | . | trans | -70.5 | 153.8 | 172.6 | 74.1 | 0 | 0 | 0 | 0 | 111.5 | E95 T103 F104 R105 | E95-S101 WeakPolarHBondContact OE1-CB 3.34Å; E95-S101 PolarHBondContact OE1-OG 3.13Å; E95-S101 PolarHBondContact OE2-N 2.86Å; E95-S101 PolarHBondContact OE2-OG 3.04Å; S101-T103 PolarHBondContact O-N 2.8Å; S101-F104 PolarHBondContact O-N 2.88Å; S101-F104 VanDerWaalsContact O-N 3.14Å; S101-F104 WeakPolarHBondContact OG-CB 3.35Å; S101-F104 PolarHBondContact OG-N 3.46Å; S101-F104 VanDerWaalsContact OG-N 3.1Å; S101-R105 WeakPolarHBondContact O-CG 3.49Å; S101-R105 PolarHBondContact O-N 2.91Å | ||
| 102 | D | 59.1 | Low | 71.6 | Confident | 118 Ų | 118 | 46 Ų | 46 | 63% | 0.631 | 23% | 0.233 | S | C | * | . | H | α-helix | trans | -65.1 | -30.3 | 175.8 | -60.6 | -36 | 0 | 0 | 0 | 111.6 | R105 G106 | D102-R105 PolarHBondContact O-N 2.78Å; D102-R105 IonicContact OD1-NH1 2.82Å; D102-R105 PolarHBondContact OD1-NH1 2.78Å; D102-G106 PolarHBondContact O-N 2.82Å |
| 103 | T | 66.6 | Low | 70.9 | Confident | 49 Ų | 49 | 49.4 Ų | 49.4 | 30% | 0.301 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -57.6 | -49.4 | 170.6 | -51.9 | 0 | 0 | 0 | 0 | 110.9 | S101 G106 Y107 | S101-T103 PolarHBondContact O-N 2.8Å; T103-G106 PolarHBondContact O-N 2.91Å; T103-Y107 WeakPolarHBondContact CG2-OH 3.23Å |
| 104 | F | 79.5 | Confident | 70.5 | Confident | 0 Ų | 0 | 51.6 Ų | 51.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 178.4 | -176.5 | -96.4 | 0 | 0 | 0 | 112.4 | F37 I45 H60 W62 E95 E100 S101 G106 Y107 F108 I112 | F37-F104 AromaticContact CE1-CZ 4Å; F37-F104 HydrophobicContact CE1-CZ 4Å; F37-F104 HydrophobicContact CE2-CE1 4.38Å; F37-F104 HydrophobicContact CE2-CZ 4.21Å; F37-F104 HydrophobicContact CZ-CE1 4.2Å; F37-F104 AromaticContact CZ-CZ 3.58Å; F37-F104 HydrophobicContact CZ-CZ 3.58Å; I45-F104 HydrophobicContact CB-CE2 4.49Å; I45-F104 HydrophobicContact CD1-CE2 3.66Å; I45-F104 HydrophobicContact CD1-CZ 4.2Å; I45-F104 HydrophobicContact CG1-CE2 3.92Å; H60-F104 HydrophobicContact CB-CD2 3.81Å; H60-F104 HydrophobicContact CB-CE2 4.13Å; H60-F104 AromaticContact CG-CD2 3.8Å; H60-F104 AromaticContact ND1-CD2 3.77Å; W62-F104 HydrophobicContact CB-CE2 4.34Å; W62-F104 HydrophobicContact CB-CZ 3.98Å; W62-F104 AromaticContact CD1-CE1 3.64Å; W62-F104 AromaticContact CD1-CZ 3.67Å; W62-F104 HydrophobicContact CG-CE1 4.41Å; W62-F104 HydrophobicContact CG-CZ 4.02Å; E95-F104 HydrophobicContact CG-CB 4.14Å; E95-F104 HydrophobicContact CG-CD2 3.8Å; E95-F104 HydrophobicContact CG-CE2 4.31Å; E95-F104 HydrophobicContact CG-CG 3.95Å; E95-F104 WeakPolarHBondContact OE1-CB 3.21Å; E100-F104 HydrophobicContact CB-CB 4.42Å; E100-F104 HydrophobicContact CB-CD1 3.72Å; E100-F104 HydrophobicContact CB-CE1 4.44Å; E100-F104 HydrophobicContact CB-CG 4.41Å; E100-F104 HydrophobicContact CG-CD1 3.68Å; E100-F104 HydrophobicContact CG-CE1 3.89Å; S101-F104 PolarHBondContact O-N 2.88Å; S101-F104 VanDerWaalsContact O-N 3.14Å; S101-F104 WeakPolarHBondContact OG-CB 3.35Å; S101-F104 PolarHBondContact OG-N 3.46Å; S101-F104 VanDerWaalsContact OG-N 3.1Å; F104-G106 VanDerWaalsContact C-N 3.25Å; F104-G106 PolarHBondContact O-N 3.25Å; F104-Y107 HydrophobicContact CD2-CD2 4.36Å; F104-Y107 WeakPolarHBondContact O-CB 3.11Å; F104-Y107 VanDerWaalsContact O-CD2 3.29Å; F104-Y107 WeakPolarHBondContact O-CD2 3.39Å; F104-Y107 PolarHBondContact O-N 3.14Å; F104-F108 HydrophobicContact CD1-CE2 4.14Å; F104-F108 HydrophobicContact CD2-CE2 4.41Å; F104-F108 HydrophobicContact CE1-CD2 4.32Å; F104-F108 AromaticContact CE1-CE2 3.76Å; F104-F108 HydrophobicContact CE1-CE2 3.76Å; F104-F108 HydrophobicContact CE2-CE2 4.06Å; F104-F108 HydrophobicContact CG-CE2 4.48Å; F104-F108 AromaticContact CZ-CE2 3.73Å; F104-F108 HydrophobicContact CZ-CE2 3.73Å; F104-F108 HydrophobicContact CZ-CZ 4.39Å; F104-F108 WeakPolarHBondContact O-CD2 3.31Å; F104-I112 HydrophobicContact CD1-CD1 3.92Å; F104-I112 HydrophobicContact CE1-CD1 3.79Å |
| 105 | R | 66.1 | Low | 69.9 | Low | 81 Ų | 81 | 53.8 Ų | 53.8 | 31% | 0.306 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62 | -35.1 | 176.6 | -67 | 179.6 | -173.1 | 121.9 | 7.7 | 112.2 | E100 S101 D102 Y107 F108 I112 | E100-R105 HydrophobicContact CB-CG 4.2Å; E100-R105 PolarHBondContact O-NH1 2.71Å; E100-R105 PolarHBondContact O-NH2 3.21Å; E100-R105 IonicContact OE2-NH2 3.4Å; S101-R105 WeakPolarHBondContact O-CG 3.49Å; S101-R105 PolarHBondContact O-N 2.91Å; D102-R105 PolarHBondContact O-N 2.78Å; D102-R105 IonicContact OD1-NH1 2.82Å; D102-R105 PolarHBondContact OD1-NH1 2.78Å; R105-Y107 PolarHBondContact O-N 3.46Å; R105-Y107 VanDerWaalsContact O-N 3.17Å; R105-F108 CarbonylContact O-C 3.56Å; R105-F108 PolarHBondContact O-N 3.01Å; R105-I112 HydrophobicContact CG-CD1 4.12Å |
| 106 | G | 58.8 | Low | 69.3 | Low | 31 Ų | 31 | 59 Ų | 59 | 32% | 0.32 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60 | -23.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | D102 T103 F104 F108 K109 | D102-G106 PolarHBondContact O-N 2.82Å; T103-G106 PolarHBondContact O-N 2.91Å; F104-G106 VanDerWaalsContact C-N 3.25Å; F104-G106 PolarHBondContact O-N 3.25Å; G106-F108 VanDerWaalsContact C-N 3.32Å; G106-K109 WeakPolarHBondContact O-CD 3.12Å; G106-K109 WeakPolarHBondContact O-CE 3.32Å |
| 107 | Y | 76.1 | Confident | 69.1 | Low | 37 Ų | 37 | 59.5 Ų | 59.5 | 15% | 0.145 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -28.2 | 174.3 | -54.4 | -39.1 | 0 | 0 | 0 | 113.1 | I16 S47 R49 H60 T103 F104 R105 | I16-Y107 HydrophobicContact CG2-CD1 4.1Å; I16-Y107 HydrophobicContact CG2-CG 4.15Å; S47-Y107 WeakPolarHBondContact CB-OH 3.32Å; S47-Y107 WeakPolarHBondContact OG-CE1 3.48Å; R49-Y107 PolarHBondContact NH2-OH 2.96Å; H60-Y107 AromaticContact CD2-CE2 3.65Å; H60-Y107 AromaticContact CE1-CE2 3.81Å; H60-Y107 AromaticContact NE2-CE2 3.27Å; H60-Y107 VanDerWaalsContact NE2-CE2 3.27Å; H60-Y107 WeakPolarHBondContact NE2-CE2 3.43Å; H60-Y107 AromaticContact NE2-CZ 3.5Å; H60-Y107 PolarHBondContact NE2-OH 3.18Å; T103-Y107 WeakPolarHBondContact CG2-OH 3.23Å; F104-Y107 HydrophobicContact CD2-CD2 4.36Å; F104-Y107 WeakPolarHBondContact O-CB 3.11Å; F104-Y107 VanDerWaalsContact O-CD2 3.29Å; F104-Y107 WeakPolarHBondContact O-CD2 3.39Å; F104-Y107 PolarHBondContact O-N 3.14Å; R105-Y107 PolarHBondContact O-N 3.46Å; R105-Y107 VanDerWaalsContact O-N 3.17Å |
| 108 | F | 74.9 | Confident | 69.3 | Low | 17 Ų | 17 | 59.5 Ų | 59.5 | 8% | 0.075 | 30% | 0.301 | C | S | . | . | trans | -113 | 72 | -173.8 | -48.8 | -71.1 | 0 | 0 | 0 | 109.6 | I16 H34 F37 F104 R105 G106 Q110 G111 I112 | I16-F108 HydrophobicContact CD1-CE1 4Å; H34-F108 HydrophobicContact CB-CE1 4.2Å; F37-F108 HydrophobicContact CE2-CE2 4.09Å; F37-F108 HydrophobicContact CE2-CZ 4.08Å; F37-F108 HydrophobicContact CZ-CE1 4.38Å; F37-F108 AromaticContact CZ-CE2 3.94Å; F37-F108 HydrophobicContact CZ-CE2 3.94Å; F37-F108 AromaticContact CZ-CZ 3.7Å; F37-F108 HydrophobicContact CZ-CZ 3.7Å; F104-F108 HydrophobicContact CD1-CE2 4.14Å; F104-F108 HydrophobicContact CD2-CE2 4.41Å; F104-F108 HydrophobicContact CE1-CD2 4.32Å; F104-F108 AromaticContact CE1-CE2 3.76Å; F104-F108 HydrophobicContact CE1-CE2 3.76Å; F104-F108 HydrophobicContact CE2-CE2 4.06Å; F104-F108 HydrophobicContact CG-CE2 4.48Å; F104-F108 AromaticContact CZ-CE2 3.73Å; F104-F108 HydrophobicContact CZ-CE2 3.73Å; F104-F108 HydrophobicContact CZ-CZ 4.39Å; F104-F108 WeakPolarHBondContact O-CD2 3.31Å; R105-F108 CarbonylContact O-C 3.56Å; R105-F108 PolarHBondContact O-N 3.01Å; G106-F108 VanDerWaalsContact C-N 3.32Å; F108-Q110 PolarHBondContact O-N 2.91Å; F108-G111 WeakPolarHBondContact O-CA 3.43Å; F108-G111 PolarHBondContact O-N 2.78Å; F108-I112 HydrophobicContact CB-CG1 4.1Å; F108-I112 HydrophobicContact CD2-CD1 4.13Å; F108-I112 HydrophobicContact CD2-CG1 3.91Å; F108-I112 HydrophobicContact CG-CG1 4.26Å | ||
| 109 | K | 50.1 | Low | 70 | Confident | 162 Ų | 162 | 57.4 Ų | 57.4 | 70% | 0.704 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -23.9 | -175.9 | -62.2 | -64.8 | -173.2 | 176.1 | 0 | 114.4 | G106 G111 | G106-K109 WeakPolarHBondContact O-CD 3.12Å; G106-K109 WeakPolarHBondContact O-CE 3.32Å; K109-G111 VanDerWaalsContact C-N 3.3Å |
| 110 | Q | 48.4 | Very low | 70.1 | Confident | 153 Ų | 153 | 57.8 Ų | 57.8 | 72% | 0.715 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.7 | 2.2 | 177 | -57.5 | -65.1 | -12.6 | 0 | 0 | 113.2 | F108 | F108-Q110 PolarHBondContact O-N 2.91Š|
| 111 | G | 48.9 | Very low | 69.9 | Low | 42 Ų | 42 | 60.7 Ų | 60.7 | 43% | 0.433 | 34% | 0.336 | S | S | . | . | trans | 94.1 | 170.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | F108 K109 | F108-G111 WeakPolarHBondContact O-CA 3.43Å; F108-G111 PolarHBondContact O-N 2.78Å; K109-G111 VanDerWaalsContact C-N 3.3Å | ||
| 112 | I | 71.4 | Confident | 70.1 | Confident | 37 Ų | 37 | 63 Ų | 63 | 19% | 0.19 | 36% | 0.362 | C | S | . | . | trans | -106.9 | 132.4 | 176.8 | -63.9 | 169.9 | 0 | 0 | 0 | 108.3 | F37 E100 F104 R105 F108 Y114 | F37-I112 HydrophobicContact CD2-CG2 3.65Å; F37-I112 HydrophobicContact CE2-CG2 4.08Å; E100-I112 HydrophobicContact CG-CD1 4.49Å; F104-I112 HydrophobicContact CD1-CD1 3.92Å; F104-I112 HydrophobicContact CE1-CD1 3.79Å; R105-I112 HydrophobicContact CG-CD1 4.12Å; F108-I112 HydrophobicContact CB-CG1 4.1Å; F108-I112 HydrophobicContact CD2-CD1 4.13Å; F108-I112 HydrophobicContact CD2-CG1 3.91Å; F108-I112 HydrophobicContact CG-CG1 4.26Å; I112-Y114 HydrophobicContact CG2-CD1 4.03Å; I112-Y114 HydrophobicContact CG2-CE1 3.47Å; I112-Y114 VanDerWaalsContact CG2-CE1 3.47Å | ||
| 113 | I | 71.8 | Confident | 70.8 | Confident | 82 Ų | 82 | 61.9 Ų | 61.9 | 42% | 0.421 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 121.4 | 177.5 | -59.2 | 173.8 | 0 | 0 | 0 | 108.9 | G35 F37 K115 | G35-I113 PolarHBondContact O-N 3Å; F37-I113 PolarHBondContact N-O 2.8Å; I113-K115 HydrophobicContact CG2-CG 4.39Å |
| 114 | Y | 77.8 | Confident | 70.9 | Confident | 52 Ų | 52 | 66 Ų | 66 | 20% | 0.204 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 120.6 | 173.7 | -52.3 | -55 | 0 | 0 | 0 | 110.5 | F37 W62 Q97 Y98 E100 I112 | F37-Y114 CarbonylContact O-C 3.53Å; F37-Y114 WeakPolarHBondContact O-CA 3.49Å; W62-Y114 HydrophobicContact CH2-CD1 4.49Å; W62-Y114 AromaticContact CZ2-CD1 3.92Å; W62-Y114 HydrophobicContact CZ2-CD1 3.92Å; W62-Y114 AromaticContact CZ2-CE1 3.81Å; W62-Y114 HydrophobicContact CZ2-CE1 3.81Å; Q97-Y114 HydrophobicContact CG-CD1 3.93Å; Q97-Y114 HydrophobicContact CG-CE1 3.81Å; Q97-Y114 HydrophobicContact CG-CG 4.37Å; Y98-Y114 AromaticContact CD1-CD2 3.99Å; Y98-Y114 HydrophobicContact CD1-CD2 3.99Å; Y98-Y114 AromaticContact CD1-CE2 3.45Å; Y98-Y114 HydrophobicContact CD1-CE2 3.45Å; Y98-Y114 VanDerWaalsContact CD1-CE2 3.45Å; Y98-Y114 AromaticContact CE1-CD2 3.47Å; Y98-Y114 HydrophobicContact CE1-CD2 3.47Å; Y98-Y114 VanDerWaalsContact CE1-CD2 3.47Å; Y98-Y114 AromaticContact CE1-CE2 3.46Å; Y98-Y114 HydrophobicContact CE1-CE2 3.46Å; Y98-Y114 VanDerWaalsContact CE1-CE2 3.46Å; Y98-Y114 HydrophobicContact CE1-CG 4.37Å; E100-Y114 PolarHBondContact OE1-OH 2.8Å; E100-Y114 PolarHBondContact OE2-OH 2.82Å; I112-Y114 HydrophobicContact CG2-CD1 4.03Å; I112-Y114 HydrophobicContact CG2-CE1 3.47Å; I112-Y114 VanDerWaalsContact CG2-CE1 3.47Å |
| 115 | K | 76.5 | Confident | 69.8 | Low | 66 Ų | 66 | 67.7 Ų | 67.7 | 29% | 0.287 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 133.6 | 179.8 | -67.4 | -175.1 | 175.4 | 177.7 | 0 | 110.7 | N36 F37 Y38 E39 I113 | N36-K115 HydrophobicContact CB-CD 4.29Å; N36-K115 VanDerWaalsContact OD1-CE 3.32Å; N36-K115 WeakPolarHBondContact OD1-CE 3.38Å; F37-K115 PolarHBondContact O-N 3.07Å; Y38-K115 CarbonylContact C-O 3.51Å; Y38-K115 WeakPolarHBondContact CA-O 2.83Å; Y38-K115 HydrophobicContact CD1-CB 3.56Å; Y38-K115 HydrophobicContact CE1-CB 3.61Å; Y38-K115 HydrophobicContact CE1-CD 4.08Å; Y38-K115 HydrophobicContact CE1-CG 4.5Å; Y38-K115 HydrophobicContact CE2-CD 4.31Å; Y38-K115 HydrophobicContact CG-CB 4.18Å; E39-K115 WeakPolarHBondContact CG-O 3.24Å; E39-K115 PolarHBondContact N-O 2.85Å; I113-K115 HydrophobicContact CG2-CG 4.39Å |
| 116 | K | 76.3 | Confident | 68.9 | Low | 112 Ų | 112 | 68.9 Ų | 68.9 | 49% | 0.487 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -63.6 | 146.5 | 172.3 | -74.2 | -73.4 | 177.2 | -166.7 | 0 | 111.9 | Y38 E39 | Y38-K116 WeakPolarHBondContact CD1-O 3.18Å; E39-K116 VanDerWaalsContact OE2-CD 3.27Å; E39-K116 WeakPolarHBondContact OE2-CD 3.39Å; E39-K116 WeakPolarHBondContact OE2-CE 3.28Å; E39-K116 IonicContact OE2-NZ 2.73Å; E39-K116 PolarHBondContact OE2-NZ 2.9Å |
| 117 | G | 80.8 | Confident | 68.1 | Low | 27 Ų | 27 | 73.5 Ų | 73.5 | 28% | 0.278 | 41% | 0.405 | S | S | . | . | trans | 88.9 | -164.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y38 G40 S121 | Y38-G117 WeakPolarHBondContact CB-O 3.28Å; G40-G117 WeakPolarHBondContact CA-O 3.24Å; G40-G117 PolarHBondContact N-O 2.85Å; G117-S121 VanDerWaalsContact CA-OG 3.32Å; G117-S121 WeakPolarHBondContact CA-OG 3.33Å | ||
| 118 | G | 84.8 | Confident | 66.2 | Low | 2 Ų | 2 | 77 Ų | 77 | 2% | 0.021 | 43% | 0.43 | C | S | . | . | trans | 175.4 | -163 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | R20 D41 A120 S121 G122 M123 | R20-G118 VanDerWaalsContact NH2-C 3.35Å; D41-G118 WeakPolarHBondContact OD1-CA 3.28Å; D41-G118 WeakPolarHBondContact OD2-CA 3.45Å; G118-A120 VanDerWaalsContact C-N 3.31Å; G118-A120 PolarHBondContact O-N 3.45Å; G118-S121 PolarHBondContact N-OG 3.28Å; G118-S121 CarbonylContact O-C 3.5Å; G118-S121 PolarHBondContact O-N 3.49Å; G118-S121 VanDerWaalsContact O-N 3.17Å; G118-S121 PolarHBondContact O-OG 2.94Å; G118-G122 PolarHBondContact O-N 2.77Å; G118-M123 PolarHBondContact O-N 2.77Å | ||
| 119 | V | 84 | Confident | 64.6 | Low | 32 Ų | 32 | 83.4 Ų | 83.4 | 19% | 0.194 | 47% | 0.465 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -42.7 | 178.8 | 176.6 | 0 | 0 | 0 | 0 | 110.3 | R20 E22 K23 D41 S121 G122 | R20-V119 VanDerWaalsContact CZ-CG2 3.47Å; R20-V119 VanDerWaalsContact NH2-N 3.18Å; E22-V119 HydrophobicContact CB-CG2 4.28Å; E22-V119 HydrophobicContact CG-CG2 3.82Å; K23-V119 HydrophobicContact CG-CG1 4.42Å; D41-V119 PolarHBondContact OD1-N 3.28Å; V119-S121 PolarHBondContact O-N 2.64Å; V119-G122 PolarHBondContact O-N 2.96Å |
| 120 | A | 74.7 | Confident | 64.5 | Low | 101 Ų | 101 | 79.2 Ų | 79.2 | 84% | 0.835 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -31.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | G118 G122 | G118-A120 VanDerWaalsContact C-N 3.31Å; G118-A120 PolarHBondContact O-N 3.45Å; A120-G122 VanDerWaalsContact C-N 3.34Å |
| 121 | S | 73.4 | Confident | 64.5 | Low | 63 Ų | 63 | 75 Ų | 75 | 44% | 0.441 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 10.1 | 176.5 | 75.1 | 0 | 0 | 0 | 0 | 113.4 | G117 G118 V119 M123 | G117-S121 VanDerWaalsContact CA-OG 3.32Å; G117-S121 WeakPolarHBondContact CA-OG 3.33Å; G118-S121 PolarHBondContact N-OG 3.28Å; G118-S121 CarbonylContact O-C 3.5Å; G118-S121 PolarHBondContact O-N 3.49Å; G118-S121 VanDerWaalsContact O-N 3.17Å; G118-S121 PolarHBondContact O-OG 2.94Å; V119-S121 PolarHBondContact O-N 2.64Å; S121-M123 VanDerWaalsContact C-N 3.3Å; S121-M123 PolarHBondContact O-N 3.08Å; S121-M123 WeakPolarHBondContact OG-CG 3.45Å |
| 122 | G | 72.9 | Confident | 64.7 | Low | 60 Ų | 60 | 80.8 Ų | 80.8 | 62% | 0.619 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 9.4 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | G118 V119 A120 | G118-G122 PolarHBondContact O-N 2.77Å; V119-G122 PolarHBondContact O-N 2.96Å; A120-G122 VanDerWaalsContact C-N 3.34Å |
| 123 | M | 72.4 | Confident | 64.3 | Low | 93 Ų | 93 | 80 Ų | 80 | 46% | 0.458 | 45% | 0.45 | S | S | . | . | trans | -79.3 | 134.9 | -177.7 | -63.4 | -65.4 | 158 | 0 | 0 | 110.8 | R20 Y38 G118 S121 | R20-M123 PolarHBondContact NH1-O 2.73Å; R20-M123 PolarHBondContact NH2-O 3.08Å; Y38-M123 HydrophobicContact CD1-CB 4.31Å; Y38-M123 HydrophobicContact CE1-CB 3.73Å; Y38-M123 HydrophobicContact CE1-CG 4.28Å; G118-M123 PolarHBondContact O-N 2.77Å; S121-M123 VanDerWaalsContact C-N 3.3Å; S121-M123 PolarHBondContact O-N 3.08Å; S121-M123 WeakPolarHBondContact OG-CG 3.45Å | ||
| 124 | K | 69.9 | Low | 64.4 | Low | 135 Ų | 135 | 82.2 Ų | 82.2 | 59% | 0.587 | 46% | 0.456 | S | S | * | . | trans | -124.2 | 155.2 | 176 | -62.9 | -173 | 178 | -174 | 0 | 110 | Y38 V126 | Y38-K124 PolarHBondContact OH-O 2.76Å; K124-V126 HydrophobicContact CB-CB 4.44Å; K124-V126 HydrophobicContact CB-CG2 3.81Å; K124-V126 HydrophobicContact CD-CG2 4.32Å; K124-V126 PolarHBondContact O-N 2.94Å | ||
| 125 | H | 56.7 | Low | 64.6 | Low | 36 Ų | 36 | 81.3 Ų | 81.3 | 17% | 0.167 | 45% | 0.452 | C | S | . | . | S | Bend | trans | -71.1 | 68.8 | 161.1 | -68.9 | -72.1 | 0 | 0 | 0 | 109.3 | A33 N36 Y38 Y43 | A33-H125 HydrophobicContact CB-CB 4.42Å; N36-H125 PolarHBondContact O-CE1 2.98Å; Y38-H125 AromaticContact CD2-CE1 3.87Å; Y38-H125 AromaticContact CD2-NE2 3.74Å; Y38-H125 AromaticContact CE2-CE1 3.64Å; Y38-H125 AromaticContact CE2-ND1 3.86Å; Y38-H125 AromaticContact CE2-NE2 3.8Å; Y43-H125 AromaticContact CE1-NE2 3.96Å; Y43-H125 PolarHBondContact OH-NE2 3.17Å |
| 126 | V | 45.4 | Very low | 64.9 | Low | 107 Ų | 107 | 78.2 Ų | 78.2 | 65% | 0.648 | 44% | 0.439 | S | S | * | . | trans | -124.4 | 130.5 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 108.2 | K124 | K124-V126 HydrophobicContact CB-CB 4.44Å; K124-V126 HydrophobicContact CB-CG2 3.81Å; K124-V126 HydrophobicContact CD-CG2 4.32Å; K124-V126 PolarHBondContact O-N 2.94Å | ||
| 127 | E | 43.3 | Very low | 64.9 | Low | 127 Ų | 127 | 73.5 Ų | 73.5 | 59% | 0.593 | 42% | 0.419 | S | S | * | . | trans | -68.8 | 128.8 | -179.2 | -71.2 | 171.8 | 164.1 | 0 | 0 | 111.3 | R32 | R32-E127 WeakPolarHBondContact CD-OE1 3.29Å; R32-E127 IonicContact CZ-OE1 2.83Å; R32-E127 IonicContact CZ-OE2 3.17Å; R32-E127 IonicContact NE-OE1 2.78Å; R32-E127 PolarHBondContact NE-OE1 3.41Å; R32-E127 IonicContact NH1-OE1 2.98Å; R32-E127 PolarHBondContact NH1-OE1 3.42Å; R32-E127 IonicContact NH1-OE2 2.71Å; R32-E127 PolarHBondContact NH1-OE2 3.22Å; R32-E127 IonicContact NH2-OE1 3.88Å; R32-E127 IonicContact NH2-OE2 3.59Å; R32-E127 PolarHBondContact NH2-OE2 3.16Å | ||
| 128 | T | 36.6 | Very low | 64.9 | Low | 111 Ų | 111 | 73.9 Ų | 73.9 | 68% | 0.681 | 41% | 0.413 | S | S | * | . | trans | -124.9 | 130.6 | 154.3 | 40.6 | 0 | 0 | 0 | 0 | 107.7 | T130 | T128-T130 PolarHBondContact O-N 2.89Å; T128-T130 PolarHBondContact O-OG1 3.43Å | ||
| 129 | N | 40 | Very low | 64.3 | Low | 151 Ų | 151 | 73.8 Ų | 73.8 | 81% | 0.807 | 41% | 0.412 | S | S | * | . | trans | -47.9 | 100.2 | 174 | -85.7 | -31.1 | 0 | 0 | 0 | 110.2 | Y131 | N129-Y131 PolarHBondContact O-N 2.86Å; N129-Y131 VanDerWaalsContact O-N 3.09Å | ||
| 130 | T | 47.8 | Very low | 63.3 | Low | 74 Ų | 74 | 74.5 Ų | 74.5 | 45% | 0.454 | 41% | 0.413 | S | S | . | . | trans | -93.2 | 73.1 | -163.6 | -14.4 | 0 | 0 | 0 | 0 | 111 | T128 N132 V133 | T128-T130 PolarHBondContact O-N 2.89Å; T128-T130 PolarHBondContact O-OG1 3.43Å; T130-N132 VanDerWaalsContact C-N 3.33Å; T130-V133 HydrophobicContact CG2-CG2 3.31Å; T130-V133 WeakPolarHBondContact O-CG2 3.25Å | ||
| 131 | Y | 49.1 | Very low | 62.1 | Low | 65 Ų | 65 | 70.1 Ų | 70.1 | 26% | 0.255 | 38% | 0.377 | S | S | . | . | trans | -84 | -11.5 | 165.5 | -71.5 | -76.4 | 0 | 0 | 0 | 113.3 | N129 K169 R202 | N129-Y131 PolarHBondContact O-N 2.86Å; N129-Y131 VanDerWaalsContact O-N 3.09Å; Y131-K169 HydrophobicContact CD1-CG 4.13Å; Y131-R202 PolarHBondContact OH-NE 2.72Å; Y131-R202 PolarHBondContact OH-NH1 3.03Å; Y131-R202 PolarHBondContact OH-NH2 2.7Å | ||
| 132 | N | 52.6 | Low | 60.6 | Low | 163 Ų | 163 | 74.8 Ų | 74.8 | 87% | 0.872 | 39% | 0.39 | S | S | * | . | trans | -101.1 | 48.5 | 178.3 | -68.7 | -19.2 | 0 | 0 | 0 | 111 | T130 | T130-N132 VanDerWaalsContact C-N 3.33Š| ||
| 133 | V | 63.6 | Low | 58.8 | Low | 22 Ų | 22 | 78 Ų | 78 | 13% | 0.133 | 38% | 0.383 | C | S | . | . | trans | -93.7 | 133.7 | 173.9 | -179.9 | 0 | 0 | 0 | 0 | 108.9 | T130 R135 L167 G168 | T130-V133 HydrophobicContact CG2-CG2 3.31Å; T130-V133 WeakPolarHBondContact O-CG2 3.25Å; V133-R135 HydrophobicContact CG1-CG 3.86Å; V133-L167 CarbonylContact O-C 3.12Å; V133-L167 VanDerWaalsContact O-CA 3.24Å; V133-L167 WeakPolarHBondContact O-CA 3.15Å; V133-G168 PolarHBondContact O-N 2.98Å | ||
| 134 | K | 74.9 | Confident | 57.1 | Low | 127 Ų | 127 | 76.6 Ų | 76.6 | 55% | 0.552 | 38% | 0.378 | S | S | * | . | trans | -136.3 | 108.4 | 167.5 | -72.1 | -171.7 | -178.3 | -177.9 | 0 | 107.7 | M152 D166 L167 | K134-M152 HydrophobicContact CB-CE 3.96Å; K134-M152 HydrophobicContact CB-SD 3.83Å; K134-D166 WeakPolarHBondContact CA-O 2.71Å; K134-L167 HydrophobicContact CG-CD2 4.3Å | ||
| 135 | R | 80.2 | Confident | 55.9 | Low | 34 Ų | 34 | 72.4 Ų | 72.4 | 13% | 0.128 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 156.7 | 178.3 | 63.4 | -174.1 | 176 | 177.1 | 0.7 | 111 | V133 E149 D166 E198 | V133-R135 HydrophobicContact CG1-CG 3.86Å; R135-E149 HydrophobicContact CB-CG 4.1Å; R135-E149 WeakPolarHBondContact CB-OE1 3.3Å; R135-D166 HydrophobicContact CG-CB 3.82Å; R135-D166 IonicContact CZ-OD2 3.38Å; R135-D166 VanDerWaalsContact CZ-OD2 3.29Å; R135-D166 PolarHBondContact N-O 3.3Å; R135-D166 IonicContact NE-OD2 3.4Å; R135-D166 PolarHBondContact NE-OD2 2.66Å; R135-D166 IonicContact NH2-OD2 2.61Å; R135-D166 PolarHBondContact NH2-OD2 2.98Å; R135-D166 PolarHBondContact O-N 2.73Å; R135-E198 IonicContact CZ-OE1 2.73Å; R135-E198 IonicContact CZ-OE2 3.39Å; R135-E198 IonicContact NH1-OE1 3.39Å; R135-E198 IonicContact NH2-OE1 2.69Å; R135-E198 PolarHBondContact NH2-OE1 3.49Å; R135-E198 IonicContact NH2-OE2 3.13Å; R135-E198 PolarHBondContact NH2-OE2 3.14Å |
| 136 | L | 82.6 | Confident | 55.6 | Low | 0 Ų | 0 | 77.1 Ų | 77.1 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 124.9 | 172.7 | -178.4 | 64.6 | 0 | 0 | 0 | 108.3 | E149 V150 E151 M152 F157 F163 L165 | L136-E149 CarbonylContact O-C 3.56Å; L136-E149 WeakPolarHBondContact O-CA 3.36Å; L136-V150 HydrophobicContact CB-CG2 4.09Å; L136-V150 HydrophobicContact CD2-CG2 3.79Å; L136-V150 HydrophobicContact CG-CG2 3.71Å; L136-V150 WeakPolarHBondContact O-CG2 3.36Å; L136-V150 PolarHBondContact O-N 2.91Å; L136-E151 WeakPolarHBondContact CD2-O 3.44Å; L136-M152 HydrophobicContact CB-CG 3.99Å; L136-F157 HydrophobicContact CD1-CE2 4.14Å; L136-F157 HydrophobicContact CD1-CZ 3.92Å; L136-F157 HydrophobicContact CD2-CD2 4.21Å; L136-F157 HydrophobicContact CD2-CE2 3.5Å; L136-F157 VanDerWaalsContact CD2-CE2 3.5Å; L136-F157 HydrophobicContact CD2-CZ 4.14Å; L136-F157 HydrophobicContact CG-CE2 4.48Å; L136-F163 HydrophobicContact CD1-CB 4.21Å; L136-L165 HydrophobicContact CD1-CB 4.12Å; L136-L165 HydrophobicContact CD1-CD1 4.36Å |
| 137 | L | 77.1 | Confident | 56 | Low | 14 Ų | 14 | 74.3 Ų | 74.3 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 127.6 | 176 | -53.5 | 174.8 | 0 | 0 | 0 | 109.3 | T148 E149 F163 L164 I194 | L137-T148 CarbonylContact C-O 3.14Å; L137-T148 WeakPolarHBondContact CA-O 3.22Å; L137-E149 HydrophobicContact CD2-CB 4Å; L137-E149 HydrophobicContact CD2-CG 4.39Å; L137-F163 CarbonylContact O-C 3.55Å; L137-F163 VanDerWaalsContact O-CA 3.27Å; L137-F163 WeakPolarHBondContact O-CA 3.45Å; L137-L164 HydrophobicContact CB-CB 4.16Å; L137-L164 HydrophobicContact CD1-CB 4.48Å; L137-L164 HydrophobicContact CD1-CD1 4.45Å; L137-L164 PolarHBondContact N-O 3.33Å; L137-L164 PolarHBondContact O-N 3.24Å; L137-I194 HydrophobicContact CD1-CD1 3.74Å |
| 138 | H | 81.4 | Confident | 56.7 | Low | 34 Ų | 34 | 70.9 Ų | 70.9 | 16% | 0.157 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 115.4 | 170.5 | 179 | -159.2 | 0 | 0 | 0 | 109.1 | A147 T148 V150 N158 D161 F163 | H138-A147 WeakPolarHBondContact O-CA 3.45Å; H138-T148 PolarHBondContact N-O 3.03Å; H138-T148 PolarHBondContact O-N 3.36Å; H138-V150 HydrophobicContact CB-CB 4.45Å; H138-V150 HydrophobicContact CB-CG1 3.59Å; H138-V150 HydrophobicContact CB-CG2 3.97Å; H138-N158 PolarHBondContact NE2-ND2 2.67Å; H138-D161 IonicContact CD2-OD2 3.09Å; H138-D161 IonicContact CE1-OD2 3.95Å; H138-D161 PolarHBondContact CE1-OD2 3.44Å; H138-D161 WeakPolarHBondContact NE2-CB 3.46Å; H138-D161 IonicContact NE2-OD2 3.66Å; H138-D161 PolarHBondContact NE2-OD2 3.18Å; H138-F163 HydrophobicContact CB-CD1 4.02Å; H138-F163 HydrophobicContact CB-CE1 3.72Å; H138-F163 AromaticContact CD2-CD1 3.99Å; H138-F163 AromaticContact CD2-CE1 3.3Å; H138-F163 WeakPolarHBondContact CD2-CE1 3.34Å; H138-F163 AromaticContact CD2-CZ 3.31Å; H138-F163 WeakPolarHBondContact CD2-CZ 3.44Å; H138-F163 AromaticContact CG-CE1 3.54Å; H138-F163 AromaticContact CG-CZ 3.97Å; H138-F163 AromaticContact NE2-CZ 3.63Å |
| 139 | V | 72.8 | Confident | 57.8 | Low | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.006 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 104.6 | 179 | -174.2 | 0 | 0 | 0 | 0 | 108.7 | I145 R146 A147 V162 L164 A187 L190 | V139-I145 HydrophobicContact CG1-CG2 3.29Å; V139-R146 VanDerWaalsContact CA-O 3.29Å; V139-R146 WeakPolarHBondContact CA-O 3.46Å; V139-A147 HydrophobicContact CG2-CB 4.1Å; V139-V162 CarbonylContact C-O 3.55Å; V139-V162 WeakPolarHBondContact CA-O 3.45Å; V139-V162 HydrophobicContact CB-CB 4.19Å; V139-V162 WeakPolarHBondContact CB-O 3.48Å; V139-V162 PolarHBondContact N-O 3.03Å; V139-V162 PolarHBondContact O-N 3.26Å; V139-V162 VanDerWaalsContact O-O 3.06Å; V139-L164 HydrophobicContact CG2-CD1 4.17Å; V139-L164 HydrophobicContact CG2-CG 4.05Å; V139-A187 HydrophobicContact CB-CB 4.28Å; V139-A187 HydrophobicContact CG1-CB 4.03Å; V139-A187 HydrophobicContact CG2-CB 4.2Å; V139-L190 HydrophobicContact CG2-CD2 4.33Å |
| 140 | K | 63 | Low | 59.4 | Low | 46 Ų | 46 | 64 Ų | 64 | 20% | 0.2 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 143 | -174.7 | -179.9 | 174.6 | -169.4 | 68.8 | 0 | 111.6 | I145 R146 D161 V237 D239 | K140-I145 WeakPolarHBondContact O-CA 3.42Å; K140-R146 PolarHBondContact N-O 3.17Å; K140-R146 PolarHBondContact O-N 3.12Å; K140-D161 HydrophobicContact CB-CB 4.42Å; K140-D161 VanDerWaalsContact CD-OD2 3.27Å; K140-D161 WeakPolarHBondContact CD-OD2 3.38Å; K140-D161 VanDerWaalsContact NZ-CG 3.26Å; K140-D161 IonicContact NZ-OD1 3.69Å; K140-D161 PolarHBondContact NZ-OD1 3.24Å; K140-D161 IonicContact NZ-OD2 2.92Å; K140-D161 PolarHBondContact NZ-OD2 3.3Å; K140-V237 PolarHBondContact NZ-O 3.35Å; K140-D239 WeakPolarHBondContact CE-OD1 3.34Å; K140-D239 IonicContact NZ-OD1 3.2Å |
| 141 | G | 47.9 | Very low | 60.7 | Low | 9 Ų | 9 | 67.3 Ų | 67.3 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | trans | 141.2 | 130.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | R143 I145 E183 | G141-R143 VanDerWaalsContact C-N 3.29Å; G141-R143 PolarHBondContact O-N 3.38Å; G141-I145 WeakPolarHBondContact O-CG1 3.49Å; G141-E183 VanDerWaalsContact C-OE1 3.28Å; G141-E183 PolarHBondContact N-OE1 2.98Å; G141-E183 WeakPolarHBondContact O-CG 3.35Å | ||
| 142 | K | 42.3 | Very low | 62.1 | Low | 162 Ų | 162 | 67 Ų | 67 | 70% | 0.704 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -73.3 | -24.4 | 175.9 | -167.7 | 171.9 | -176.1 | 174.5 | 0 | 113.7 | ||
| 143 | R | 35 | Very low | 63.5 | Low | 127 Ų | 127 | 60.3 Ų | 60.3 | 48% | 0.479 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -124.6 | -51.3 | -167.5 | -66.2 | -176 | 167.4 | 153.5 | -4.8 | 110 | G141 N623 K624 G626 | G141-R143 VanDerWaalsContact C-N 3.29Å; G141-R143 PolarHBondContact O-N 3.38Å; R143-N623 WeakPolarHBondContact CD-O 3.21Å; R143-K624 CarbonylContact C-O 3.48Å; R143-K624 WeakPolarHBondContact CA-O 3.41Å; R143-K624 VanDerWaalsContact CB-C 3.48Å; R143-K624 WeakPolarHBondContact CB-O 3.05Å; R143-K624 WeakPolarHBondContact O-CB 3.46Å; R143-G626 VanDerWaalsContact CD-CA 3.43Å; R143-G626 PolarHBondContact NH1-O 3Å |
| 144 | N | 36.2 | Very low | 64.5 | Low | 64 Ų | 64 | 59.4 Ų | 59.4 | 34% | 0.342 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -114.2 | 93.1 | 173.1 | -86.8 | -25.4 | 0 | 0 | 0 | 109.3 | R146 K624 T625 | N144-R146 PolarHBondContact O-N 3.44Å; N144-K624 PolarHBondContact N-O 2.8Å; N144-K624 PolarHBondContact OD1-O 3.19Å; N144-K624 VanDerWaalsContact OD1-O 3.08Å; N144-T625 WeakPolarHBondContact ND2-CA 3.36Å; N144-T625 WeakPolarHBondContact ND2-CB 3.36Å; N144-T625 WeakPolarHBondContact ND2-CG2 3.32Å |
| 145 | I | 45 | Very low | 64.9 | Low | 46 Ų | 46 | 57.4 Ų | 57.4 | 24% | 0.236 | 28% | 0.278 | C | S | . | . | trans | -74.1 | 113.3 | -178.6 | -59.5 | 156.8 | 0 | 0 | 0 | 109.2 | V139 K140 G141 G182 E183 K186 | V139-I145 HydrophobicContact CG1-CG2 3.29Å; K140-I145 WeakPolarHBondContact O-CA 3.42Å; G141-I145 WeakPolarHBondContact O-CG1 3.49Å; I145-G182 VanDerWaalsContact CD1-C 3.41Å; I145-G182 VanDerWaalsContact CD1-O 3.26Å; I145-G182 WeakPolarHBondContact CD1-O 3.22Å; I145-E183 HydrophobicContact CD1-CG 4.44Å; I145-E183 HydrophobicContact CG1-CG 4.09Å; I145-K186 HydrophobicContact CB-CB 4.16Å; I145-K186 HydrophobicContact CB-CG 3.9Å; I145-K186 HydrophobicContact CD1-CB 3.57Å; I145-K186 HydrophobicContact CD1-CG 4.12Å; I145-K186 HydrophobicContact CG1-CB 4.43Å; I145-K186 HydrophobicContact CG2-CB 3.8Å; I145-K186 HydrophobicContact CG2-CG 3.69Å | ||
| 146 | R | 51.2 | Low | 64.9 | Low | 136 Ų | 136 | 57.1 Ų | 57.1 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 143.7 | -178.9 | -64.2 | 174 | -175.8 | 178.4 | -0.7 | 110 | V139 K140 N144 | V139-R146 VanDerWaalsContact CA-O 3.29Å; V139-R146 WeakPolarHBondContact CA-O 3.46Å; K140-R146 PolarHBondContact N-O 3.17Å; K140-R146 PolarHBondContact O-N 3.12Å; N144-R146 PolarHBondContact O-N 3.44Å |
| 147 | A | 53.4 | Low | 65.2 | Low | 48 Ų | 48 | 57.2 Ų | 57.2 | 40% | 0.397 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | H138 V139 L190 | H138-A147 WeakPolarHBondContact O-CA 3.45Å; V139-A147 HydrophobicContact CG2-CB 4.1Å; A147-L190 HydrophobicContact CB-CD2 3.28Å |
| 148 | T | 57.4 | Low | 65.7 | Low | 55 Ų | 55 | 57.1 Ų | 57.1 | 34% | 0.337 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.2 | 179.3 | -47.4 | 0 | 0 | 0 | 0 | 109.5 | L137 H138 V150 | L137-T148 CarbonylContact C-O 3.14Å; L137-T148 WeakPolarHBondContact CA-O 3.22Å; H138-T148 PolarHBondContact N-O 3.03Å; H138-T148 PolarHBondContact O-N 3.36Å; T148-V150 PolarHBondContact O-N 2.64Å |
| 149 | E | 60.4 | Low | 65.9 | Low | 80 Ų | 80 | 60.9 Ų | 60.9 | 37% | 0.374 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 125.6 | 173.2 | -167.1 | 172 | 166.6 | 0 | 0 | 110.5 | R135 L136 L137 | R135-E149 HydrophobicContact CB-CG 4.1Å; R135-E149 WeakPolarHBondContact CB-OE1 3.3Å; L136-E149 CarbonylContact O-C 3.56Å; L136-E149 WeakPolarHBondContact O-CA 3.36Å; L137-E149 HydrophobicContact CD2-CB 4Å; L137-E149 HydrophobicContact CD2-CG 4.39Å |
| 150 | V | 72.9 | Confident | 66.3 | Low | 37 Ų | 37 | 61.1 Ų | 61.1 | 22% | 0.224 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 166.9 | -179.2 | -64.5 | 0 | 0 | 0 | 0 | 110.2 | L136 H138 T148 M152 | L136-V150 HydrophobicContact CB-CG2 4.09Å; L136-V150 HydrophobicContact CD2-CG2 3.79Å; L136-V150 HydrophobicContact CG-CG2 3.71Å; L136-V150 WeakPolarHBondContact O-CG2 3.36Å; L136-V150 PolarHBondContact O-N 2.91Å; H138-V150 HydrophobicContact CB-CB 4.45Å; H138-V150 HydrophobicContact CB-CG1 3.59Å; H138-V150 HydrophobicContact CB-CG2 3.97Å; T148-V150 PolarHBondContact O-N 2.64Å; V150-M152 PolarHBondContact O-N 3.08Å |
| 151 | E | 75.1 | Confident | 67.4 | Low | 144 Ų | 144 | 59.1 Ų | 59.1 | 67% | 0.673 | 29% | 0.289 | S | S | * | . | trans | -57.9 | 134.1 | 176.5 | -174.7 | 179.3 | -177.7 | 0 | 0 | 110.7 | L136 S153 S156 | L136-E151 WeakPolarHBondContact CD2-O 3.44Å; E151-S153 PolarHBondContact O-N 3.01Å; E151-S156 PolarHBondContact O-OG 3.29Å | ||
| 152 | M | 79.6 | Confident | 69.4 | Low | 59 Ų | 59 | 58.7 Ų | 58.7 | 29% | 0.291 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -72.4 | 62.7 | 177.1 | -66.9 | -175.8 | 73.4 | 0 | 0 | 111.8 | K134 L136 V150 L165 L167 T226 L227 | K134-M152 HydrophobicContact CB-CE 3.96Å; K134-M152 HydrophobicContact CB-SD 3.83Å; L136-M152 HydrophobicContact CB-CG 3.99Å; V150-M152 PolarHBondContact O-N 3.08Å; M152-L165 HydrophobicContact CE-CD1 3.6Å; M152-L167 HydrophobicContact CE-CD2 4.23Å; M152-T226 HydrophobicContact CE-CG2 3.86Å; M152-L227 VanDerWaalsContact C-CD2 3.45Å; M152-L227 HydrophobicContact CB-CD2 4.08Å; M152-L227 WeakPolarHBondContact O-CD2 3.37Å |
| 153 | S | 81.8 | Confident | 71.8 | Confident | 22 Ų | 22 | 51 Ų | 51 | 15% | 0.154 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -137 | 151.2 | -178.8 | 174.9 | 0 | 0 | 0 | 0 | 110.5 | E151 D155 S156 F157 | E151-S153 PolarHBondContact O-N 3.01Å; S153-D155 PolarHBondContact O-N 3.33Å; S153-D155 PolarHBondContact OG-N 3.29Å; S153-S156 WeakPolarHBondContact O-CB 3.21Å; S153-S156 PolarHBondContact O-N 3.3Å; S153-F157 WeakPolarHBondContact O-CD2 3.38Å |
| 154 | W | 84.8 | Confident | 74.4 | Confident | 2 Ų | 2 | 45 Ų | 45 | 1% | 0.008 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -58.9 | -23.4 | 170 | -75.6 | 107.9 | 0 | 0 | 0 | 113 | S156 F157 M220 L223 Q224 L227 G228 R230 S231 I233 | W154-S156 PolarHBondContact O-N 2.94Å; W154-F157 HydrophobicContact CE3-CD1 4.47Å; W154-F157 HydrophobicContact CE3-CD2 4.06Å; W154-F157 HydrophobicContact CE3-CE2 4.35Å; W154-F157 HydrophobicContact CE3-CG 4.13Å; W154-F157 HydrophobicContact CZ3-CD1 4.33Å; W154-F157 HydrophobicContact CZ3-CE1 4.4Å; W154-F157 HydrophobicContact CZ3-CG 4.43Å; W154-F157 WeakPolarHBondContact O-CB 3.38Å; W154-F157 PolarHBondContact O-N 3.49Å; W154-F157 VanDerWaalsContact O-N 3.1Å; W154-M220 HydrophobicContact CH2-CE 4.24Å; W154-L223 HydrophobicContact CH2-CD2 3.38Å; W154-L223 HydrophobicContact CH2-CG 3.66Å; W154-L223 HydrophobicContact CZ2-CB 4.47Å; W154-L223 HydrophobicContact CZ2-CD2 4.05Å; W154-L223 HydrophobicContact CZ2-CG 3.8Å; W154-L223 HydrophobicContact CZ3-CD2 4.09Å; W154-Q224 HydrophobicContact CZ2-CG 4.19Å; W154-L227 HydrophobicContact CD2-CD1 4.13Å; W154-L227 HydrophobicContact CE3-CD1 4.48Å; W154-L227 HydrophobicContact CG-CB 4.35Å; W154-L227 HydrophobicContact CZ2-CD1 4.28Å; W154-G228 PolarHBondContact NE1-O 3.26Å; W154-R230 HydrophobicContact CD2-CG 4.07Å; W154-R230 HydrophobicContact CE3-CG 4.38Å; W154-R230 HydrophobicContact CG-CG 4.4Å; W154-R230 HydrophobicContact CZ2-CG 4.43Å; W154-S231 VanDerWaalsContact CB-OG 3.23Å; W154-S231 WeakPolarHBondContact CB-OG 3.44Å; W154-I233 HydrophobicContact CE3-CD1 4.44Å; W154-I233 HydrophobicContact CZ3-CD1 4.25Å |
| 155 | D | 82.1 | Confident | 77 | Confident | 85 Ų | 85 | 42 Ų | 42 | 46% | 0.455 | 21% | 0.212 | S | C | . | . | G | 310 helix | trans | -69.7 | -16 | 179.6 | -65.5 | -30.5 | 0 | 0 | 0 | 114 | S153 S231 K234 | S153-D155 PolarHBondContact O-N 3.33Å; S153-D155 PolarHBondContact OG-N 3.29Å; D155-S231 WeakPolarHBondContact OD1-CB 3.2Å; D155-S231 PolarHBondContact OD1-OG 2.98Å; D155-K234 PolarHBondContact O-NZ 2.67Å |
| 156 | S | 81.9 | Confident | 79 | Confident | 29 Ų | 29 | 39.9 Ų | 39.9 | 20% | 0.203 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -79.2 | -22.4 | 173.2 | -59.8 | 0 | 0 | 0 | 0 | 112.7 | E151 S153 W154 F163 | E151-S156 PolarHBondContact O-OG 3.29Å; S153-S156 WeakPolarHBondContact O-CB 3.21Å; S153-S156 PolarHBondContact O-N 3.3Å; W154-S156 PolarHBondContact O-N 2.94Å; S156-F163 WeakPolarHBondContact O-CE1 3.41Å; S156-F163 VanDerWaalsContact O-CZ 3.26Å; S156-F163 WeakPolarHBondContact O-CZ 2.76Å |
| 157 | F | 88.9 | Confident | 80.5 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.009 | 18% | 0.179 | C | C | . | . | trans | -75.8 | 145.5 | -176 | -74.9 | -110.2 | 0 | 0 | 0 | 111.7 | L136 S153 W154 F163 W174 L223 L227 I233 | L136-F157 HydrophobicContact CD1-CE2 4.14Å; L136-F157 HydrophobicContact CD1-CZ 3.92Å; L136-F157 HydrophobicContact CD2-CD2 4.21Å; L136-F157 HydrophobicContact CD2-CE2 3.5Å; L136-F157 VanDerWaalsContact CD2-CE2 3.5Å; L136-F157 HydrophobicContact CD2-CZ 4.14Å; L136-F157 HydrophobicContact CG-CE2 4.48Å; S153-F157 WeakPolarHBondContact O-CD2 3.38Å; W154-F157 HydrophobicContact CE3-CD1 4.47Å; W154-F157 HydrophobicContact CE3-CD2 4.06Å; W154-F157 HydrophobicContact CE3-CE2 4.35Å; W154-F157 HydrophobicContact CE3-CG 4.13Å; W154-F157 HydrophobicContact CZ3-CD1 4.33Å; W154-F157 HydrophobicContact CZ3-CE1 4.4Å; W154-F157 HydrophobicContact CZ3-CG 4.43Å; W154-F157 WeakPolarHBondContact O-CB 3.38Å; W154-F157 PolarHBondContact O-N 3.49Å; W154-F157 VanDerWaalsContact O-N 3.1Å; F157-F163 HydrophobicContact CB-CE2 4.44Å; F157-F163 HydrophobicContact CD1-CB 4.22Å; F157-F163 HydrophobicContact CD1-CD1 4.46Å; F157-F163 AromaticContact CD1-CD2 3.76Å; F157-F163 HydrophobicContact CD1-CD2 3.76Å; F157-F163 HydrophobicContact CD1-CE2 4.27Å; F157-F163 AromaticContact CD1-CG 3.88Å; F157-F163 HydrophobicContact CD1-CG 3.88Å; F157-F163 HydrophobicContact CE1-CB 3.7Å; F157-F163 HydrophobicContact CE1-CD2 4.13Å; F157-F163 AromaticContact CE1-CG 3.88Å; F157-F163 HydrophobicContact CE1-CG 3.88Å; F157-F163 HydrophobicContact CG-CD2 4.35Å; F157-F163 HydrophobicContact CG-CG 4.39Å; F157-F163 HydrophobicContact CZ-CB 4.09Å; F157-F163 HydrophobicContact CZ-CG 4.37Å; F157-W174 AromaticContact CD1-CD2 3.89Å; F157-W174 HydrophobicContact CD1-CD2 3.89Å; F157-W174 AromaticContact CD1-CE3 3.53Å; F157-W174 HydrophobicContact CD1-CE3 3.53Å; F157-W174 HydrophobicContact CD1-CG 4.46Å; F157-W174 HydrophobicContact CD1-CH2 4.42Å; F157-W174 AromaticContact CD1-CZ3 3.82Å; F157-W174 HydrophobicContact CD1-CZ3 3.82Å; F157-W174 HydrophobicContact CE1-CB 4.04Å; F157-W174 AromaticContact CE1-CD2 3.9Å; F157-W174 HydrophobicContact CE1-CD2 3.9Å; F157-W174 AromaticContact CE1-CE3 3.84Å; F157-W174 HydrophobicContact CE1-CE3 3.84Å; F157-W174 HydrophobicContact CE1-CG 4Å; F157-L223 HydrophobicContact CZ-CD1 4.34Å; F157-L227 HydrophobicContact CE2-CD1 3.48Å; F157-L227 VanDerWaalsContact CE2-CD1 3.48Å; F157-L227 HydrophobicContact CZ-CD1 3.75Å; F157-I233 HydrophobicContact CB-CG1 4.44Å; F157-I233 HydrophobicContact CB-CG2 4.17Å | ||
| 158 | N | 86.6 | Confident | 81.6 | Confident | 12 Ų | 12 | 31.4 Ų | 31.4 | 6% | 0.064 | 16% | 0.16 | C | C | . | . | B | Isolated β-bridge | trans | -138.5 | 161.9 | 168 | 73.6 | 72.6 | 0 | 0 | 0 | 111 | H138 G160 D161 W174 K234 | H138-N158 PolarHBondContact NE2-ND2 2.67Å; N158-G160 VanDerWaalsContact C-N 3.29Å; N158-G160 PolarHBondContact O-N 2.68Å; N158-G160 PolarHBondContact OD1-N 2.88Å; N158-D161 PolarHBondContact ND2-OD2 3.25Å; N158-D161 VanDerWaalsContact OD1-CG 3.32Å; N158-D161 PolarHBondContact OD1-N 3.22Å; N158-D161 VanDerWaalsContact OD1-N 3.1Å; N158-D161 PolarHBondContact OD1-OD2 3.05Å; N158-W174 WeakPolarHBondContact O-CZ3 3.48Å; N158-K234 CarbonylContact C-O 3.54Å; N158-K234 VanDerWaalsContact CA-O 3.27Å; N158-K234 WeakPolarHBondContact CA-O 3.37Å |
| 159 | R | 86.3 | Confident | 82.7 | Confident | 113 Ų | 113 | 33.5 Ų | 33.5 | 43% | 0.426 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -16.5 | -173.6 | -63.4 | 179.2 | 70.4 | -162 | -3.6 | 114.3 | G176 P177 E178 I233 K234 | R159-G176 CarbonylContact O-C 3.57Å; R159-G176 VanDerWaalsContact O-CA 3.23Å; R159-G176 WeakPolarHBondContact O-CA 3.27Å; R159-P177 WeakPolarHBondContact O-CD 3.43Å; R159-E178 IonicContact CZ-OE1 2.71Å; R159-E178 IonicContact NE-OE1 2.78Å; R159-E178 PolarHBondContact NE-OE1 3.06Å; R159-E178 IonicContact NH1-OE1 2.77Å; R159-E178 PolarHBondContact NH1-OE1 3.11Å; R159-E178 IonicContact NH2-OE1 2.78Å; R159-E178 PolarHBondContact NH2-OE1 3.23Å; R159-E178 WeakPolarHBondContact O-CA 3.15Å; R159-E178 WeakPolarHBondContact O-CB 3.48Å; R159-E178 PolarHBondContact O-N 2.61Å; R159-I233 HydrophobicContact CG-CB 4.45Å; R159-I233 HydrophobicContact CG-CG2 3.8Å; R159-K234 PolarHBondContact N-O 3.22Å |
| 160 | G | 81 | Confident | 83.9 | Confident | 6 Ų | 6 | 29.7 Ų | 29.7 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -9.1 | -171 | 0 | 0 | 0 | 0 | 0 | 115.9 | N158 S179 | N158-G160 VanDerWaalsContact C-N 3.29Å; N158-G160 PolarHBondContact O-N 2.68Å; N158-G160 PolarHBondContact OD1-N 2.88Å; G160-S179 WeakPolarHBondContact O-CA 3.3Å |
| 161 | D | 86.3 | Confident | 84.6 | Confident | 4 Ų | 4 | 28 Ų | 28 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | S | Bend | trans | -124.3 | 175.3 | -172.3 | -56.6 | -30.5 | 0 | 0 | 0 | 111.5 | H138 K140 N158 F163 G176 | H138-D161 IonicContact CD2-OD2 3.09Å; H138-D161 IonicContact CE1-OD2 3.95Å; H138-D161 PolarHBondContact CE1-OD2 3.44Å; H138-D161 WeakPolarHBondContact NE2-CB 3.46Å; H138-D161 IonicContact NE2-OD2 3.66Å; H138-D161 PolarHBondContact NE2-OD2 3.18Å; K140-D161 HydrophobicContact CB-CB 4.42Å; K140-D161 VanDerWaalsContact CD-OD2 3.27Å; K140-D161 WeakPolarHBondContact CD-OD2 3.38Å; K140-D161 VanDerWaalsContact NZ-CG 3.26Å; K140-D161 IonicContact NZ-OD1 3.69Å; K140-D161 PolarHBondContact NZ-OD1 3.24Å; K140-D161 IonicContact NZ-OD2 2.92Å; K140-D161 PolarHBondContact NZ-OD2 3.3Å; N158-D161 PolarHBondContact ND2-OD2 3.25Å; N158-D161 VanDerWaalsContact OD1-CG 3.32Å; N158-D161 PolarHBondContact OD1-N 3.22Å; N158-D161 VanDerWaalsContact OD1-N 3.1Å; N158-D161 PolarHBondContact OD1-OD2 3.05Å; D161-F163 HydrophobicContact CB-CE2 4.13Å; D161-F163 HydrophobicContact CB-CZ 4.48Å; D161-G176 WeakPolarHBondContact O-CA 3.27Å; D161-G176 PolarHBondContact O-N 3.06Å |
| 162 | V | 89.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 10% | 0.104 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 145.5 | 178.9 | -177.9 | 0 | 0 | 0 | 0 | 110.1 | V139 Q173 N175 E183 R184 A187 | V139-V162 CarbonylContact C-O 3.55Å; V139-V162 WeakPolarHBondContact CA-O 3.45Å; V139-V162 HydrophobicContact CB-CB 4.19Å; V139-V162 WeakPolarHBondContact CB-O 3.48Å; V139-V162 PolarHBondContact N-O 3.03Å; V139-V162 PolarHBondContact O-N 3.26Å; V139-V162 VanDerWaalsContact O-O 3.06Å; V162-Q173 HydrophobicContact CG1-CG 3.7Å; V162-N175 WeakPolarHBondContact CG1-OD1 3.17Å; V162-E183 HydrophobicContact CG2-CB 3.88Å; V162-R184 HydrophobicContact CG2-CG 4Å; V162-A187 HydrophobicContact CB-CB 4.08Å; V162-A187 HydrophobicContact CG1-CB 3.37Å |
| 163 | F | 93.1 | Very high | 86.1 | Confident | 1 Ų | 1 | 18.3 Ų | 18.3 | 0% | 0.004 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 137 | -179 | -65.3 | -96.3 | 0 | 0 | 0 | 110.7 | L136 L137 H138 S156 F157 D161 Q173 W174 | L136-F163 HydrophobicContact CD1-CB 4.21Å; L137-F163 CarbonylContact O-C 3.55Å; L137-F163 VanDerWaalsContact O-CA 3.27Å; L137-F163 WeakPolarHBondContact O-CA 3.45Å; H138-F163 HydrophobicContact CB-CD1 4.02Å; H138-F163 HydrophobicContact CB-CE1 3.72Å; H138-F163 AromaticContact CD2-CD1 3.99Å; H138-F163 AromaticContact CD2-CE1 3.3Å; H138-F163 WeakPolarHBondContact CD2-CE1 3.34Å; H138-F163 AromaticContact CD2-CZ 3.31Å; H138-F163 WeakPolarHBondContact CD2-CZ 3.44Å; H138-F163 AromaticContact CG-CE1 3.54Å; H138-F163 AromaticContact CG-CZ 3.97Å; H138-F163 AromaticContact NE2-CZ 3.63Å; S156-F163 WeakPolarHBondContact O-CE1 3.41Å; S156-F163 VanDerWaalsContact O-CZ 3.26Å; S156-F163 WeakPolarHBondContact O-CZ 2.76Å; F157-F163 HydrophobicContact CB-CE2 4.44Å; F157-F163 HydrophobicContact CD1-CB 4.22Å; F157-F163 HydrophobicContact CD1-CD1 4.46Å; F157-F163 AromaticContact CD1-CD2 3.76Å; F157-F163 HydrophobicContact CD1-CD2 3.76Å; F157-F163 HydrophobicContact CD1-CE2 4.27Å; F157-F163 AromaticContact CD1-CG 3.88Å; F157-F163 HydrophobicContact CD1-CG 3.88Å; F157-F163 HydrophobicContact CE1-CB 3.7Å; F157-F163 HydrophobicContact CE1-CD2 4.13Å; F157-F163 AromaticContact CE1-CG 3.88Å; F157-F163 HydrophobicContact CE1-CG 3.88Å; F157-F163 HydrophobicContact CG-CD2 4.35Å; F157-F163 HydrophobicContact CG-CG 4.39Å; F157-F163 HydrophobicContact CZ-CB 4.09Å; F157-F163 HydrophobicContact CZ-CG 4.37Å; D161-F163 HydrophobicContact CB-CE2 4.13Å; D161-F163 HydrophobicContact CB-CZ 4.48Å; F163-Q173 CarbonylContact O-C 3.55Å; F163-Q173 WeakPolarHBondContact O-CA 3.34Å; F163-W174 AromaticContact CD2-CE3 3.88Å; F163-W174 HydrophobicContact CD2-CE3 3.88Å; F163-W174 HydrophobicContact CD2-CZ3 4.09Å; F163-W174 HydrophobicContact CE2-CZ3 4.37Å; F163-W174 PolarHBondContact N-O 2.79Å; F163-W174 PolarHBondContact O-N 3.34Å |
| 164 | L | 88.8 | Confident | 86.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 110.6 | 173.2 | -56.1 | 177.8 | 0 | 0 | 0 | 109.5 | L137 V139 I172 Q173 A187 L190 A191 I194 | L137-L164 HydrophobicContact CB-CB 4.16Å; L137-L164 HydrophobicContact CD1-CB 4.48Å; L137-L164 HydrophobicContact CD1-CD1 4.45Å; L137-L164 PolarHBondContact N-O 3.33Å; L137-L164 PolarHBondContact O-N 3.24Å; V139-L164 HydrophobicContact CG2-CD1 4.17Å; V139-L164 HydrophobicContact CG2-CG 4.05Å; L164-I172 CarbonylContact C-O 3.6Å; L164-I172 WeakPolarHBondContact CA-O 3.32Å; L164-Q173 HydrophobicContact CD2-CB 3.55Å; L164-Q173 HydrophobicContact CD2-CG 3.75Å; L164-A187 HydrophobicContact CD2-CB 4.2Å; L164-L190 HydrophobicContact CD1-CB 4.2Å; L164-L190 HydrophobicContact CD1-CD2 3.73Å; L164-L190 HydrophobicContact CD1-CG 3.86Å; L164-A191 HydrophobicContact CD1-CB 4.31Å; L164-A191 HydrophobicContact CD2-CB 4.12Å; L164-I194 HydrophobicContact CD1-CD1 4.48Å |
| 165 | L | 91.2 | Very high | 87.1 | Confident | 2 Ų | 2 | 17.3 Ų | 17.3 | 1% | 0.01 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 111.9 | 168.7 | 176.9 | 66.6 | 0 | 0 | 0 | 108.7 | L136 M152 L167 I171 I172 L223 T226 L227 | L136-L165 HydrophobicContact CD1-CB 4.12Å; L136-L165 HydrophobicContact CD1-CD1 4.36Å; M152-L165 HydrophobicContact CE-CD1 3.6Å; L165-L167 HydrophobicContact CD1-CD2 3.93Å; L165-L167 HydrophobicContact CD2-CD1 4.17Å; L165-L167 HydrophobicContact CD2-CD2 4.24Å; L165-L167 HydrophobicContact CD2-CG 4.31Å; L165-L167 HydrophobicContact CG-CD1 4.44Å; L165-L167 HydrophobicContact CG-CD2 3.93Å; L165-L167 HydrophobicContact CG-CG 4.05Å; L165-I171 CarbonylContact O-C 3.42Å; L165-I171 WeakPolarHBondContact O-CA 3.41Å; L165-I172 HydrophobicContact CB-CB 4.29Å; L165-I172 PolarHBondContact N-O 2.9Å; L165-I172 PolarHBondContact O-N 3.31Å; L165-L223 HydrophobicContact CB-CD1 4.29Å; L165-L223 HydrophobicContact CD2-CD1 3.53Å; L165-L223 HydrophobicContact CG-CD1 4.5Å; L165-T226 HydrophobicContact CD1-CG2 4.3Å; L165-T226 HydrophobicContact CD2-CG2 4.1Å; L165-L227 HydrophobicContact CD1-CD2 4.37Å |
| 166 | D | 85.9 | Confident | 87.5 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 115 | -177.8 | 177.1 | 7 | 0 | 0 | 0 | 110.3 | K134 R135 G168 R199 | K134-D166 WeakPolarHBondContact CA-O 2.71Å; R135-D166 HydrophobicContact CG-CB 3.82Å; R135-D166 IonicContact CZ-OD2 3.38Å; R135-D166 VanDerWaalsContact CZ-OD2 3.29Å; R135-D166 PolarHBondContact N-O 3.3Å; R135-D166 IonicContact NE-OD2 3.4Å; R135-D166 PolarHBondContact NE-OD2 2.66Å; R135-D166 IonicContact NH2-OD2 2.61Å; R135-D166 PolarHBondContact NH2-OD2 2.98Å; R135-D166 PolarHBondContact O-N 2.73Å; D166-G168 PolarHBondContact OD1-N 3.19Å; D166-R199 VanDerWaalsContact CG-NH2 3.33Å; D166-R199 IonicContact OD1-CZ 2.64Å; D166-R199 IonicContact OD1-NH1 3.6Å; D166-R199 PolarHBondContact OD1-NH1 3.22Å; D166-R199 IonicContact OD1-NH2 3.05Å; D166-R199 PolarHBondContact OD1-NH2 3.44Å; D166-R199 IonicContact OD2-CZ 3.73Å; D166-R199 IonicContact OD2-NH1 2.73Å; D166-R199 IonicContact OD2-NH2 2.72Å; D166-R199 PolarHBondContact OD2-NH2 2.71Å |
| 167 | L | 83.5 | Confident | 87.8 | Confident | 7 Ų | 7 | 13.7 Ų | 13.7 | 4% | 0.037 | 6% | 0.063 | C | C | . | . | trans | -112.8 | 21.2 | -177.4 | -53.9 | 179.5 | 0 | 0 | 0 | 112.3 | V133 K134 M152 L165 K169 V170 V222 T226 M742 | V133-L167 CarbonylContact O-C 3.12Å; V133-L167 VanDerWaalsContact O-CA 3.24Å; V133-L167 WeakPolarHBondContact O-CA 3.15Å; K134-L167 HydrophobicContact CG-CD2 4.3Å; M152-L167 HydrophobicContact CE-CD2 4.23Å; L165-L167 HydrophobicContact CD1-CD2 3.93Å; L165-L167 HydrophobicContact CD2-CD1 4.17Å; L165-L167 HydrophobicContact CD2-CD2 4.24Å; L165-L167 HydrophobicContact CD2-CG 4.31Å; L165-L167 HydrophobicContact CG-CD1 4.44Å; L165-L167 HydrophobicContact CG-CD2 3.93Å; L165-L167 HydrophobicContact CG-CG 4.05Å; L167-K169 PolarHBondContact O-N 3.12Å; L167-V170 WeakPolarHBondContact CA-O 3.22Å; L167-V170 WeakPolarHBondContact CB-O 3.18Å; L167-V170 PolarHBondContact N-O 2.85Å; L167-V222 HydrophobicContact CD1-CG1 4.03Å; L167-T226 HydrophobicContact CD2-CG2 3.81Å; L167-M742 HydrophobicContact CB-CE 4.32Å; L167-M742 WeakPolarHBondContact O-CE 3.29Å | ||
| 168 | G | 77.3 | Confident | 87.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | S | Bend | trans | 83.8 | -75.7 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V133 D166 R199 | V133-G168 PolarHBondContact O-N 2.98Å; D166-G168 PolarHBondContact OD1-N 3.19Å; G168-R199 VanDerWaalsContact C-NH1 3.28Å; G168-R199 PolarHBondContact O-NH1 2.91Å |
| 169 | K | 79.9 | Confident | 87 | Confident | 99 Ų | 99 | 18.1 Ų | 18.1 | 43% | 0.43 | 8% | 0.084 | S | C | . | . | S | Bend | trans | -86.1 | -15.3 | -179.6 | -63.6 | -175.1 | 178 | -176.2 | 0 | 113.8 | Y131 L167 A203 E204 I738 M742 | Y131-K169 HydrophobicContact CD1-CG 4.13Å; L167-K169 PolarHBondContact O-N 3.12Å; K169-A203 VanDerWaalsContact O-CA 3.3Å; K169-A203 WeakPolarHBondContact O-CA 3.49Å; K169-E204 PolarHBondContact O-N 2.85Å; K169-I738 HydrophobicContact CB-CG2 3.67Å; K169-I738 HydrophobicContact CD-CG2 4.08Å; K169-M742 HydrophobicContact CB-SD 4.05Å; K169-M742 HydrophobicContact CD-SD 4.35Å; K169-M742 HydrophobicContact CG-SD 4.45Å |
| 170 | V | 85.1 | Confident | 86.3 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 8% | 0.077 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 135.3 | -178.2 | 178 | 0 | 0 | 0 | 0 | 108.3 | L167 I172 E204 I735 I738 | L167-V170 WeakPolarHBondContact CA-O 3.22Å; L167-V170 WeakPolarHBondContact CB-O 3.18Å; L167-V170 PolarHBondContact N-O 2.85Å; V170-I172 HydrophobicContact CG1-CD1 4.33Å; V170-I172 HydrophobicContact CG1-CG1 3.88Å; V170-E204 CarbonylContact C-O 3.53Å; V170-E204 WeakPolarHBondContact CA-O 3.29Å; V170-I735 HydrophobicContact CG1-CG2 3.58Å; V170-I735 HydrophobicContact CG2-CG2 4.18Å; V170-I738 HydrophobicContact CG2-CB 4.23Å; V170-I738 HydrophobicContact CG2-CG2 3.7Å |
| 171 | I | 88.3 | Confident | 85.6 | Confident | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 121 | 172.1 | -54.4 | 171.1 | 0 | 0 | 0 | 107.1 | L165 A191 I194 R195 A203 E204 I205 G206 | L165-I171 CarbonylContact O-C 3.42Å; L165-I171 WeakPolarHBondContact O-CA 3.41Å; I171-A191 WeakPolarHBondContact CD1-O 3.47Å; I171-A191 HydrophobicContact CG2-CB 3.98Å; I171-I194 HydrophobicContact CD1-CB 3.93Å; I171-I194 HydrophobicContact CD1-CG2 3.62Å; I171-R195 HydrophobicContact CD1-CB 4.18Å; I171-A203 HydrophobicContact CD1-CB 4.25Å; I171-A203 HydrophobicContact CG1-CB 4.39Å; I171-E204 PolarHBondContact N-O 3.16Å; I171-I205 HydrophobicContact CB-CG1 4.36Å; I171-I205 CarbonylContact O-C 3.59Å; I171-I205 VanDerWaalsContact O-CA 3.28Å; I171-I205 WeakPolarHBondContact O-CA 3.45Å; I171-G206 PolarHBondContact O-N 2.71Å |
| 172 | I | 92.5 | Very high | 84.1 | Confident | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 116.2 | 177.8 | -60.3 | 174.9 | 0 | 0 | 0 | 108.9 | L164 L165 V170 G206 I208 V222 | L164-I172 CarbonylContact C-O 3.6Å; L164-I172 WeakPolarHBondContact CA-O 3.32Å; L165-I172 HydrophobicContact CB-CB 4.29Å; L165-I172 PolarHBondContact N-O 2.9Å; L165-I172 PolarHBondContact O-N 3.31Å; V170-I172 HydrophobicContact CG1-CD1 4.33Å; V170-I172 HydrophobicContact CG1-CG1 3.88Å; I172-G206 CarbonylContact C-O 3.51Å; I172-G206 WeakPolarHBondContact CA-O 3.33Å; I172-I208 HydrophobicContact CG2-CD1 3.7Å; I172-I208 HydrophobicContact CG2-CG1 4.07Å; I172-V222 HydrophobicContact CD1-CB 3.88Å; I172-V222 HydrophobicContact CD1-CG1 3.53Å |
| 173 | Q | 93.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 20.9 Ų | 20.9 | 0% | 0 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 117 | 168 | 178.7 | 172.5 | -28 | 0 | 0 | 109.7 | V162 F163 L164 N175 R184 A187 M188 G206 V207 I208 | V162-Q173 HydrophobicContact CG1-CG 3.7Å; F163-Q173 CarbonylContact O-C 3.55Å; F163-Q173 WeakPolarHBondContact O-CA 3.34Å; L164-Q173 HydrophobicContact CD2-CB 3.55Å; L164-Q173 HydrophobicContact CD2-CG 3.75Å; Q173-N175 WeakPolarHBondContact CG-OD1 3.23Å; Q173-N175 PolarHBondContact NE2-OD1 3.25Å; Q173-R184 PolarHBondContact NE2-O 3.45Å; Q173-A187 HydrophobicContact CG-CB 4.38Å; Q173-M188 VanDerWaalsContact OE1-N 3.09Å; Q173-G206 PolarHBondContact N-O 2.97Å; Q173-V207 HydrophobicContact CB-CG2 4.43Å; Q173-V207 CarbonylContact O-C 3.54Å; Q173-V207 WeakPolarHBondContact O-CA 3.27Å; Q173-I208 PolarHBondContact O-N 2.88Å |
| 174 | W | 94.8 | Very high | 82.3 | Confident | 3 Ų | 3 | 23 Ų | 23 | 1% | 0.011 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 120.8 | 170.2 | -176.6 | 95.1 | 0 | 0 | 0 | 109.3 | F157 N158 F163 I208 E213 L223 I233 | F157-W174 AromaticContact CD1-CD2 3.89Å; F157-W174 HydrophobicContact CD1-CD2 3.89Å; F157-W174 AromaticContact CD1-CE3 3.53Å; F157-W174 HydrophobicContact CD1-CE3 3.53Å; F157-W174 HydrophobicContact CD1-CG 4.46Å; F157-W174 HydrophobicContact CD1-CH2 4.42Å; F157-W174 AromaticContact CD1-CZ3 3.82Å; F157-W174 HydrophobicContact CD1-CZ3 3.82Å; F157-W174 HydrophobicContact CE1-CB 4.04Å; F157-W174 AromaticContact CE1-CD2 3.9Å; F157-W174 HydrophobicContact CE1-CD2 3.9Å; F157-W174 AromaticContact CE1-CE3 3.84Å; F157-W174 HydrophobicContact CE1-CE3 3.84Å; F157-W174 HydrophobicContact CE1-CG 4Å; N158-W174 WeakPolarHBondContact O-CZ3 3.48Å; F163-W174 AromaticContact CD2-CE3 3.88Å; F163-W174 HydrophobicContact CD2-CE3 3.88Å; F163-W174 HydrophobicContact CD2-CZ3 4.09Å; F163-W174 HydrophobicContact CE2-CZ3 4.37Å; F163-W174 PolarHBondContact N-O 2.79Å; F163-W174 PolarHBondContact O-N 3.34Å; W174-I208 HydrophobicContact CG-CB 4.48Å; W174-E213 PolarHBondContact NE1-OE1 2.88Å; W174-L223 HydrophobicContact CG-CD2 4.33Å; W174-I233 HydrophobicContact CH2-CD1 3.89Å; W174-I233 HydrophobicContact CH2-CG2 4.35Å; W174-I233 HydrophobicContact CZ2-CD1 3.69Å |
| 175 | N | 92.8 | Very high | 81.2 | Confident | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 122.2 | 179.5 | -63.4 | -26 | 0 | 0 | 0 | 110.2 | V162 Q173 R184 I208 E209 G210 Y722 | V162-N175 WeakPolarHBondContact CG1-OD1 3.17Å; Q173-N175 WeakPolarHBondContact CG-OD1 3.23Å; Q173-N175 PolarHBondContact NE2-OD1 3.25Å; N175-R184 HydrophobicContact CB-CG 4.31Å; N175-I208 PolarHBondContact N-O 2.73Å; N175-E209 PolarHBondContact ND2-OE1 2.93Å; N175-E209 PolarHBondContact ND2-OE2 3.17Å; N175-G210 VanDerWaalsContact O-CA 3.26Å; N175-G210 WeakPolarHBondContact O-CA 3.45Å; N175-G210 PolarHBondContact O-N 3.13Å; N175-Y722 PolarHBondContact ND2-OH 3.36Å |
| 176 | G | 90.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 17% | 0.166 | C | C | . | . | trans | -54.9 | 140 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R159 D161 E178 S179 | R159-G176 CarbonylContact O-C 3.57Å; R159-G176 VanDerWaalsContact O-CA 3.23Å; R159-G176 WeakPolarHBondContact O-CA 3.27Å; D161-G176 WeakPolarHBondContact O-CA 3.27Å; D161-G176 PolarHBondContact O-N 3.06Å; G176-E178 PolarHBondContact O-N 3.03Å; G176-S179 VanDerWaalsContact O-CB 3.28Å; G176-S179 WeakPolarHBondContact O-CB 3.42Å; G176-S179 PolarHBondContact O-N 3.19Å; G176-S179 PolarHBondContact O-OG 3.16Å | ||
| 177 | P | 86.8 | Confident | 79.2 | Confident | 38 Ų | 38 | 31.3 Ų | 31.3 | 25% | 0.247 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.2 | -29.6 | 178.2 | -24.5 | 30.1 | 0 | 0 | 0 | 114 | R159 D211 | R159-P177 WeakPolarHBondContact O-CD 3.43Å; P177-D211 HydrophobicContact CB-CB 4.16Å |
| 178 | E | 82.2 | Confident | 79 | Confident | 100 Ų | 100 | 31 Ų | 31 | 47% | 0.467 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.6 | 4.9 | -177.4 | -59.8 | 163.9 | -155.4 | 0 | 0 | 112.2 | R159 G176 | R159-E178 IonicContact CZ-OE1 2.71Å; R159-E178 IonicContact NE-OE1 2.78Å; R159-E178 PolarHBondContact NE-OE1 3.06Å; R159-E178 IonicContact NH1-OE1 2.77Å; R159-E178 PolarHBondContact NH1-OE1 3.11Å; R159-E178 IonicContact NH2-OE1 2.78Å; R159-E178 PolarHBondContact NH2-OE1 3.23Å; R159-E178 WeakPolarHBondContact O-CA 3.15Å; R159-E178 WeakPolarHBondContact O-CB 3.48Å; R159-E178 PolarHBondContact O-N 2.61Å; G176-E178 PolarHBondContact O-N 3.03Å |
| 179 | S | 78.4 | Confident | 78.4 | Confident | 7 Ų | 7 | 35 Ų | 35 | 5% | 0.049 | 19% | 0.186 | C | C | . | . | trans | -69 | 145.1 | 179.4 | 65.5 | 0 | 0 | 0 | 0 | 112.9 | G160 G176 R184 | G160-S179 WeakPolarHBondContact O-CA 3.3Å; G176-S179 VanDerWaalsContact O-CB 3.28Å; G176-S179 WeakPolarHBondContact O-CB 3.42Å; G176-S179 PolarHBondContact O-N 3.19Å; G176-S179 PolarHBondContact O-OG 3.16Å; S179-R184 PolarHBondContact O-NE 3.13Å; S179-R184 PolarHBondContact O-NH2 3.05Å; S179-R184 PolarHBondContact OG-NE 3.03Å; S179-R184 PolarHBondContact OG-NH2 3.16Å | ||
| 180 | N | 70.5 | Confident | 77.7 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 27% | 0.267 | 18% | 0.178 | S | C | . | . | trans | -86.2 | 157.8 | -176.3 | 77.4 | 71.1 | 0 | 0 | 0 | 112.9 | G182 E183 R184 | N180-G182 VanDerWaalsContact C-N 3.28Å; N180-G182 PolarHBondContact O-N 2.86Å; N180-G182 WeakPolarHBondContact OD1-CA 3.47Å; N180-G182 PolarHBondContact OD1-N 2.87Å; N180-E183 PolarHBondContact N-OE2 3.32Å; N180-E183 VanDerWaalsContact N-OE2 3.12Å; N180-E183 VanDerWaalsContact ND2-CG 3.32Å; N180-E183 WeakPolarHBondContact ND2-CG 3.35Å; N180-E183 PolarHBondContact ND2-OE1 2.72Å; N180-E183 PolarHBondContact ND2-OE2 3.26Å; N180-E183 PolarHBondContact O-N 3.27Å; N180-E183 PolarHBondContact OD1-N 3.3Å; N180-R184 WeakPolarHBondContact O-CG 3.48Å; N180-R184 PolarHBondContact O-N 2.83Å; N180-R184 VanDerWaalsContact O-N 3.17Å | ||
| 181 | S | 67.4 | Low | 77.2 | Confident | 96 Ų | 96 | 32.7 Ų | 32.7 | 67% | 0.671 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -61.4 | -32.4 | -176.3 | 49.2 | 0 | 0 | 0 | 0 | 113.7 | R184 L185 | S181-R184 PolarHBondContact O-N 2.76Å; S181-L185 WeakPolarHBondContact O-CB 3.5Å; S181-L185 PolarHBondContact O-N 2.73Å |
| 182 | G | 54.4 | Low | 76.1 | Confident | 28 Ų | 28 | 33.9 Ų | 33.9 | 29% | 0.289 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -65.6 | -45.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I145 N180 R184 L185 K186 | I145-G182 VanDerWaalsContact CD1-C 3.41Å; I145-G182 VanDerWaalsContact CD1-O 3.26Å; I145-G182 WeakPolarHBondContact CD1-O 3.22Å; N180-G182 VanDerWaalsContact C-N 3.28Å; N180-G182 PolarHBondContact O-N 2.86Å; N180-G182 WeakPolarHBondContact OD1-CA 3.47Å; N180-G182 PolarHBondContact OD1-N 2.87Å; G182-R184 VanDerWaalsContact C-N 3.32Å; G182-R184 PolarHBondContact O-N 2.92Å; G182-L185 PolarHBondContact O-N 2.83Å; G182-K186 WeakPolarHBondContact O-CB 3.41Å; G182-K186 PolarHBondContact O-N 3.38Å |
| 183 | E | 64.4 | Low | 74.3 | Confident | 6 Ų | 6 | 36.7 Ų | 36.7 | 3% | 0.028 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.5 | -42.8 | 174.9 | -74.3 | 166.6 | 158.3 | 0 | 0 | 111.6 | G141 I145 V162 N180 K186 A187 | G141-E183 VanDerWaalsContact C-OE1 3.28Å; G141-E183 PolarHBondContact N-OE1 2.98Å; G141-E183 WeakPolarHBondContact O-CG 3.35Å; I145-E183 HydrophobicContact CD1-CG 4.44Å; I145-E183 HydrophobicContact CG1-CG 4.09Å; V162-E183 HydrophobicContact CG2-CB 3.88Å; N180-E183 PolarHBondContact N-OE2 3.32Å; N180-E183 VanDerWaalsContact N-OE2 3.12Å; N180-E183 VanDerWaalsContact ND2-CG 3.32Å; N180-E183 WeakPolarHBondContact ND2-CG 3.35Å; N180-E183 PolarHBondContact ND2-OE1 2.72Å; N180-E183 PolarHBondContact ND2-OE2 3.26Å; N180-E183 PolarHBondContact O-N 3.27Å; N180-E183 PolarHBondContact OD1-N 3.3Å; E183-K186 PolarHBondContact O-N 2.87Å; E183-A187 WeakPolarHBondContact O-CB 3.45Å; E183-A187 PolarHBondContact O-N 3.21Å |
| 184 | R | 80.8 | Confident | 72.8 | Confident | 46 Ų | 46 | 37 Ų | 37 | 17% | 0.174 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.2 | -45.5 | 178.2 | -63 | 178.9 | -163.9 | -161.1 | 9.7 | 112.2 | V162 Q173 N175 S179 N180 S181 G182 M188 E209 Y722 | V162-R184 HydrophobicContact CG2-CG 4Å; Q173-R184 PolarHBondContact NE2-O 3.45Å; N175-R184 HydrophobicContact CB-CG 4.31Å; S179-R184 PolarHBondContact O-NE 3.13Å; S179-R184 PolarHBondContact O-NH2 3.05Å; S179-R184 PolarHBondContact OG-NE 3.03Å; S179-R184 PolarHBondContact OG-NH2 3.16Å; N180-R184 WeakPolarHBondContact O-CG 3.48Å; N180-R184 PolarHBondContact O-N 2.83Å; N180-R184 VanDerWaalsContact O-N 3.17Å; S181-R184 PolarHBondContact O-N 2.76Å; G182-R184 VanDerWaalsContact C-N 3.32Å; G182-R184 PolarHBondContact O-N 2.92Å; R184-M188 WeakPolarHBondContact O-CB 3.5Å; R184-M188 PolarHBondContact O-N 3.45Å; R184-E209 IonicContact CZ-OE2 2.94Å; R184-E209 IonicContact NH1-OE2 3.69Å; R184-E209 PolarHBondContact NH1-OE2 3.37Å; R184-E209 VanDerWaalsContact NH1-OE2 3.09Å; R184-Y722 HydrophobicContact CB-CD2 4.13Å; R184-Y722 HydrophobicContact CB-CE2 3.97Å |
| 185 | L | 65.2 | Low | 71.7 | Confident | 62 Ų | 62 | 39.8 Ų | 39.8 | 33% | 0.325 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -65.6 | -43.8 | 177.8 | 179.4 | 61.6 | 0 | 0 | 0 | 111.5 | S181 G182 M188 L189 L725 | S181-L185 WeakPolarHBondContact O-CB 3.5Å; S181-L185 PolarHBondContact O-N 2.73Å; G182-L185 PolarHBondContact O-N 2.83Å; L185-M188 WeakPolarHBondContact O-CB 3.43Å; L185-M188 PolarHBondContact O-N 3.06Å; L185-L189 HydrophobicContact CD1-CG 4.47Å; L185-L189 HydrophobicContact CG-CD1 4.34Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 2.77Å; L185-L725 HydrophobicContact CD1-CD1 3.61Å |
| 186 | K | 63 | Low | 69.8 | Low | 114 Ų | 114 | 42.2 Ų | 42.2 | 50% | 0.496 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -68.4 | -40.8 | 179.5 | -169.6 | 73.3 | 173.8 | -175.7 | 0 | 112.1 | I145 G182 E183 M188 L189 L190 | I145-K186 HydrophobicContact CB-CB 4.16Å; I145-K186 HydrophobicContact CB-CG 3.9Å; I145-K186 HydrophobicContact CD1-CB 3.57Å; I145-K186 HydrophobicContact CD1-CG 4.12Å; I145-K186 HydrophobicContact CG1-CB 4.43Å; I145-K186 HydrophobicContact CG2-CB 3.8Å; I145-K186 HydrophobicContact CG2-CG 3.69Å; G182-K186 WeakPolarHBondContact O-CB 3.41Å; G182-K186 PolarHBondContact O-N 3.38Å; E183-K186 PolarHBondContact O-N 2.87Å; K186-M188 PolarHBondContact O-N 2.88Å; K186-L189 PolarHBondContact O-N 3.01Å; K186-L190 WeakPolarHBondContact O-CB 3.09Å; K186-L190 PolarHBondContact O-N 3.17Å |
| 187 | A | 72.9 | Confident | 67.7 | Low | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V139 V162 L164 Q173 E183 L190 A191 | V139-A187 HydrophobicContact CB-CB 4.28Å; V139-A187 HydrophobicContact CG1-CB 4.03Å; V139-A187 HydrophobicContact CG2-CB 4.2Å; V162-A187 HydrophobicContact CB-CB 4.08Å; V162-A187 HydrophobicContact CG1-CB 3.37Å; L164-A187 HydrophobicContact CD2-CB 4.2Å; Q173-A187 HydrophobicContact CG-CB 4.38Å; E183-A187 WeakPolarHBondContact O-CB 3.45Å; E183-A187 PolarHBondContact O-N 3.21Å; A187-L190 PolarHBondContact O-N 3.47Å; A187-A191 WeakPolarHBondContact O-CB 3.47Å; A187-A191 PolarHBondContact O-N 3.45Å |
| 188 | M | 78.1 | Confident | 66.3 | Low | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.4 | -47.8 | 176.2 | -178.8 | 56 | 62.1 | 0 | 0 | 112 | Q173 R184 L185 K186 L190 A191 K192 V207 Y722 L725 L729 | Q173-M188 VanDerWaalsContact OE1-N 3.09Å; R184-M188 WeakPolarHBondContact O-CB 3.5Å; R184-M188 PolarHBondContact O-N 3.45Å; L185-M188 WeakPolarHBondContact O-CB 3.43Å; L185-M188 PolarHBondContact O-N 3.06Å; K186-M188 PolarHBondContact O-N 2.88Å; M188-L190 VanDerWaalsContact C-N 3.31Å; M188-L190 PolarHBondContact O-N 2.79Å; M188-A191 PolarHBondContact O-N 2.88Å; M188-K192 PolarHBondContact O-N 3.26Å; M188-V207 HydrophobicContact CE-CG2 3.42Å; M188-V207 VanDerWaalsContact CE-CG2 3.42Å; M188-Y722 HydrophobicContact CE-CE2 4.09Å; M188-L725 HydrophobicContact CG-CB 4.39Å; M188-L729 HydrophobicContact CE-CD1 3.6Å; M188-L729 HydrophobicContact SD-CD1 3.86Å; M188-L729 HydrophobicContact SD-CD2 4.21Å |
| 189 | L | 64.9 | Low | 65.3 | Low | 86 Ų | 86 | 46.7 Ų | 46.7 | 45% | 0.45 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -62.7 | -39.7 | 176.7 | -67.7 | 174.2 | 0 | 0 | 0 | 111.5 | L185 K186 K192 D193 | L185-L189 HydrophobicContact CD1-CG 4.47Å; L185-L189 HydrophobicContact CG-CD1 4.34Å; L185-L189 WeakPolarHBondContact O-CG 3.37Å; L185-L189 PolarHBondContact O-N 2.77Å; K186-L189 PolarHBondContact O-N 3.01Å; L189-K192 PolarHBondContact O-N 3.49Å; L189-D193 WeakPolarHBondContact O-CB 3.39Å; L189-D193 PolarHBondContact O-N 3.13Å |
| 190 | L | 65.8 | Low | 64 | Low | 49 Ų | 49 | 47.3 Ų | 47.3 | 26% | 0.257 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.5 | -42.2 | 175.2 | 177.6 | 61.9 | 0 | 0 | 0 | 112 | V139 A147 L164 K186 A187 M188 D193 I194 | V139-L190 HydrophobicContact CG2-CD2 4.33Å; A147-L190 HydrophobicContact CB-CD2 3.28Å; L164-L190 HydrophobicContact CD1-CB 4.2Å; L164-L190 HydrophobicContact CD1-CD2 3.73Å; L164-L190 HydrophobicContact CD1-CG 3.86Å; K186-L190 WeakPolarHBondContact O-CB 3.09Å; K186-L190 PolarHBondContact O-N 3.17Å; A187-L190 PolarHBondContact O-N 3.47Å; M188-L190 VanDerWaalsContact C-N 3.31Å; M188-L190 PolarHBondContact O-N 2.79Å; L190-D193 PolarHBondContact O-N 3.18Å; L190-I194 HydrophobicContact CD1-CD1 4.21Å; L190-I194 HydrophobicContact CD1-CG1 4.27Å; L190-I194 HydrophobicContact CG-CD1 4.06Å; L190-I194 VanDerWaalsContact O-CG1 3.32Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 3.48Å |
| 191 | A | 73.8 | Confident | 63.2 | Low | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L164 I171 A187 M188 D193 I194 R195 I205 | L164-A191 HydrophobicContact CD1-CB 4.31Å; L164-A191 HydrophobicContact CD2-CB 4.12Å; I171-A191 WeakPolarHBondContact CD1-O 3.47Å; I171-A191 HydrophobicContact CG2-CB 3.98Å; A187-A191 WeakPolarHBondContact O-CB 3.47Å; A187-A191 PolarHBondContact O-N 3.45Å; M188-A191 PolarHBondContact O-N 2.88Å; A191-D193 VanDerWaalsContact C-N 3.35Å; A191-I194 PolarHBondContact O-N 3.43Å; A191-R195 WeakPolarHBondContact O-CB 3.33Å; A191-R195 PolarHBondContact O-N 2.88Å; A191-I205 HydrophobicContact CB-CD1 4.08Å; A191-I205 HydrophobicContact CB-CG1 4.47Å; A191-I205 HydrophobicContact CB-CG2 4.1Å |
| 192 | K | 64.6 | Low | 62.9 | Low | 25 Ų | 25 | 48.1 Ų | 48.1 | 11% | 0.109 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.4 | -41.3 | 172.3 | -74.6 | -171.1 | 175.6 | -170.2 | 0 | 111.4 | M188 L189 R195 D196 I205 L725 E728 | M188-K192 PolarHBondContact O-N 3.26Å; L189-K192 PolarHBondContact O-N 3.49Å; K192-R195 WeakPolarHBondContact O-CB 3.42Å; K192-R195 PolarHBondContact O-N 3.26Å; K192-D196 VanDerWaalsContact O-CB 3.28Å; K192-D196 WeakPolarHBondContact O-CB 3.48Å; K192-D196 PolarHBondContact O-N 2.73Å; K192-I205 HydrophobicContact CB-CD1 4.37Å; K192-I205 HydrophobicContact CG-CD1 3.81Å; K192-L725 VanDerWaalsContact NZ-CD2 3.33Å; K192-E728 IonicContact NZ-OE2 3.24Å |
| 193 | D | 55.7 | Low | 63.7 | Low | 61 Ų | 61 | 47 Ų | 47 | 33% | 0.326 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -66.5 | -42.9 | 177.9 | -165.7 | 72.3 | 0 | 0 | 0 | 112.7 | L189 L190 A191 R195 D196 R197 | L189-D193 WeakPolarHBondContact O-CB 3.39Å; L189-D193 PolarHBondContact O-N 3.13Å; L190-D193 PolarHBondContact O-N 3.18Å; A191-D193 VanDerWaalsContact C-N 3.35Å; D193-R195 VanDerWaalsContact C-N 3.35Å; D193-R195 PolarHBondContact O-N 3.27Å; D193-D196 PolarHBondContact O-N 3.26Å; D193-R197 VanDerWaalsContact O-CB 3.32Å; D193-R197 WeakPolarHBondContact O-CB 3.12Å; D193-R197 PolarHBondContact O-N 3.19Å; D193-R197 VanDerWaalsContact OD1-CD 3.28Å; D193-R197 WeakPolarHBondContact OD1-CD 3.24Å; D193-R197 IonicContact OD1-CZ 2.71Å; D193-R197 IonicContact OD1-NE 3.97Å; D193-R197 PolarHBondContact OD1-NE 3.42Å; D193-R197 IonicContact OD1-NH2 2.97Å; D193-R197 WeakPolarHBondContact OD2-CD 3.43Å; D193-R197 IonicContact OD2-NE 3.76Å |
| 194 | I | 61.4 | Low | 64.5 | Low | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -60.3 | -47.1 | 173.6 | -67.3 | 166.7 | 0 | 0 | 0 | 109.7 | L137 L164 I171 L190 A191 D196 E198 R199 | L137-I194 HydrophobicContact CD1-CD1 3.74Å; L164-I194 HydrophobicContact CD1-CD1 4.48Å; I171-I194 HydrophobicContact CD1-CB 3.93Å; I171-I194 HydrophobicContact CD1-CG2 3.62Å; L190-I194 HydrophobicContact CD1-CD1 4.21Å; L190-I194 HydrophobicContact CD1-CG1 4.27Å; L190-I194 HydrophobicContact CG-CD1 4.06Å; L190-I194 VanDerWaalsContact O-CG1 3.32Å; L190-I194 WeakPolarHBondContact O-CG1 3.48Å; L190-I194 PolarHBondContact O-N 3.48Å; A191-I194 PolarHBondContact O-N 3.43Å; I194-D196 PolarHBondContact O-N 2.94Å; I194-E198 HydrophobicContact CG2-CB 4.39Å; I194-E198 HydrophobicContact CG2-CG 4.4Å; I194-E198 WeakPolarHBondContact O-CA 3.44Å; I194-E198 VanDerWaalsContact O-CB 3.26Å; I194-E198 WeakPolarHBondContact O-CB 3.41Å; I194-E198 PolarHBondContact O-N 3.36Å; I194-R199 PolarHBondContact O-N 3.49Å |
| 195 | R | 73.3 | Confident | 64.8 | Low | 62 Ų | 62 | 47.8 Ų | 47.8 | 23% | 0.234 | 23% | 0.232 | C | C | . | . | I | π-helix | trans | -56.3 | -50.7 | 175.1 | 175.5 | -167.5 | 72.6 | 175.3 | 6.3 | 111.2 | I171 A191 K192 D193 R199 G200 G201 A203 I205 | I171-R195 HydrophobicContact CD1-CB 4.18Å; A191-R195 WeakPolarHBondContact O-CB 3.33Å; A191-R195 PolarHBondContact O-N 2.88Å; K192-R195 WeakPolarHBondContact O-CB 3.42Å; K192-R195 PolarHBondContact O-N 3.26Å; D193-R195 VanDerWaalsContact C-N 3.35Å; D193-R195 PolarHBondContact O-N 3.27Å; R195-R199 CarbonylContact O-C 3.48Å; R195-R199 WeakPolarHBondContact O-CA 3.37Å; R195-R199 VanDerWaalsContact O-CB 3.29Å; R195-R199 WeakPolarHBondContact O-CB 3.34Å; R195-R199 PolarHBondContact O-N 3.45Å; R195-G200 PolarHBondContact O-N 2.89Å; R195-G201 WeakPolarHBondContact O-CA 3.41Å; R195-G201 PolarHBondContact O-N 2.73Å; R195-A203 HydrophobicContact CB-CB 4.26Å; R195-A203 WeakPolarHBondContact CD-O 3.25Å; R195-A203 HydrophobicContact CG-CB 4.03Å; R195-A203 WeakPolarHBondContact CG-O 3.47Å; R195-I205 HydrophobicContact CB-CD1 4.12Å; R195-I205 HydrophobicContact CB-CG1 4.47Å |
| 196 | D | 52.3 | Low | 65.8 | Low | 52 Ų | 52 | 45 Ų | 45 | 28% | 0.278 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -75.7 | -47 | -170 | -66.1 | -11.8 | 0 | 0 | 0 | 111.6 | K192 D193 I194 G200 G201 | K192-D196 VanDerWaalsContact O-CB 3.28Å; K192-D196 WeakPolarHBondContact O-CB 3.48Å; K192-D196 PolarHBondContact O-N 2.73Å; D193-D196 PolarHBondContact O-N 3.26Å; I194-D196 PolarHBondContact O-N 2.94Å; D196-G200 VanDerWaalsContact O-CA 3.25Å; D196-G200 WeakPolarHBondContact O-CA 3.35Å; D196-G200 PolarHBondContact O-N 2.99Å; D196-G201 PolarHBondContact O-N 3.32Å |
| 197 | R | 46.7 | Very low | 67.2 | Low | 144 Ų | 144 | 40.2 Ų | 40.2 | 54% | 0.543 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -87.7 | -44.1 | -174.8 | -61.6 | -167.5 | -171.5 | -140.7 | 7.8 | 114 | D193 | D193-R197 VanDerWaalsContact O-CB 3.32Å; D193-R197 WeakPolarHBondContact O-CB 3.12Å; D193-R197 PolarHBondContact O-N 3.19Å; D193-R197 VanDerWaalsContact OD1-CD 3.28Å; D193-R197 WeakPolarHBondContact OD1-CD 3.24Å; D193-R197 IonicContact OD1-CZ 2.71Å; D193-R197 IonicContact OD1-NE 3.97Å; D193-R197 PolarHBondContact OD1-NE 3.42Å; D193-R197 IonicContact OD1-NH2 2.97Å; D193-R197 WeakPolarHBondContact OD2-CD 3.43Å; D193-R197 IonicContact OD2-NE 3.76Å |
| 198 | E | 56.6 | Low | 68.1 | Low | 83 Ų | 83 | 40.2 Ų | 40.2 | 39% | 0.388 | 20% | 0.199 | S | C | . | . | I | π-helix | trans | -84.5 | -28.6 | -178 | -58.9 | -172.8 | -164.2 | 0 | 0 | 112.3 | R135 I194 | R135-E198 IonicContact CZ-OE1 2.73Å; R135-E198 IonicContact CZ-OE2 3.39Å; R135-E198 IonicContact NH1-OE1 3.39Å; R135-E198 IonicContact NH2-OE1 2.69Å; R135-E198 PolarHBondContact NH2-OE1 3.49Å; R135-E198 IonicContact NH2-OE2 3.13Å; R135-E198 PolarHBondContact NH2-OE2 3.14Å; I194-E198 HydrophobicContact CG2-CB 4.39Å; I194-E198 HydrophobicContact CG2-CG 4.4Å; I194-E198 WeakPolarHBondContact O-CA 3.44Å; I194-E198 VanDerWaalsContact O-CB 3.26Å; I194-E198 WeakPolarHBondContact O-CB 3.41Å; I194-E198 PolarHBondContact O-N 3.36Å |
| 199 | R | 61.1 | Low | 68.6 | Low | 4 Ų | 4 | 41.1 Ų | 41.1 | 2% | 0.015 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -112.7 | -2.2 | -174.3 | -43.7 | -61.1 | 158 | 66.8 | 2.2 | 113.6 | D166 G168 I194 R195 G201 R202 A203 | D166-R199 VanDerWaalsContact CG-NH2 3.33Å; D166-R199 IonicContact OD1-CZ 2.64Å; D166-R199 IonicContact OD1-NH1 3.6Å; D166-R199 PolarHBondContact OD1-NH1 3.22Å; D166-R199 IonicContact OD1-NH2 3.05Å; D166-R199 PolarHBondContact OD1-NH2 3.44Å; D166-R199 IonicContact OD2-CZ 3.73Å; D166-R199 IonicContact OD2-NH1 2.73Å; D166-R199 IonicContact OD2-NH2 2.72Å; D166-R199 PolarHBondContact OD2-NH2 2.71Å; G168-R199 VanDerWaalsContact C-NH1 3.28Å; G168-R199 PolarHBondContact O-NH1 2.91Å; I194-R199 PolarHBondContact O-N 3.49Å; R195-R199 CarbonylContact O-C 3.48Å; R195-R199 WeakPolarHBondContact O-CA 3.37Å; R195-R199 VanDerWaalsContact O-CB 3.29Å; R195-R199 WeakPolarHBondContact O-CB 3.34Å; R195-R199 PolarHBondContact O-N 3.45Å; R199-G201 VanDerWaalsContact C-N 3.31Å; R199-G201 PolarHBondContact O-N 3.17Å; R199-R202 PolarHBondContact O-N 3.11Å; R199-R202 PolarHBondContact O-NE 3.36Å; R199-R202 VanDerWaalsContact O-NE 3.1Å; R199-A203 HydrophobicContact CB-CB 4.02Å; R199-A203 HydrophobicContact CG-CB 3.95Å |
| 200 | G | 50.7 | Low | 69.5 | Low | 21 Ų | 21 | 37.6 Ų | 37.6 | 22% | 0.216 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 39.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R195 D196 R202 | R195-G200 PolarHBondContact O-N 2.89Å; D196-G200 VanDerWaalsContact O-CA 3.25Å; D196-G200 WeakPolarHBondContact O-CA 3.35Å; D196-G200 PolarHBondContact O-N 2.99Å; G200-R202 VanDerWaalsContact C-N 3.31Å; G200-R202 PolarHBondContact O-N 3.37Å |
| 201 | G | 54.1 | Low | 70.4 | Confident | 38 Ų | 38 | 39.6 Ų | 39.6 | 39% | 0.392 | 20% | 0.199 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -3.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | R195 D196 R199 A203 | R195-G201 WeakPolarHBondContact O-CA 3.41Å; R195-G201 PolarHBondContact O-N 2.73Å; D196-G201 PolarHBondContact O-N 3.32Å; R199-G201 VanDerWaalsContact C-N 3.31Å; R199-G201 PolarHBondContact O-N 3.17Å; G201-A203 PolarHBondContact O-N 2.71Å |
| 202 | R | 61.2 | Low | 71 | Confident | 125 Ų | 125 | 45.8 Ų | 45.8 | 47% | 0.472 | 23% | 0.226 | S | C | . | . | trans | -94.9 | 13.6 | -166.2 | -66 | 172.6 | -72.4 | -167.6 | -6.4 | 115.7 | Y131 R199 G200 | Y131-R202 PolarHBondContact OH-NE 2.72Å; Y131-R202 PolarHBondContact OH-NH1 3.03Å; Y131-R202 PolarHBondContact OH-NH2 2.7Å; R199-R202 PolarHBondContact O-N 3.11Å; R199-R202 PolarHBondContact O-NE 3.36Å; R199-R202 VanDerWaalsContact O-NE 3.1Å; G200-R202 VanDerWaalsContact C-N 3.31Å; G200-R202 PolarHBondContact O-N 3.37Å | ||
| 203 | A | 70.8 | Confident | 72 | Confident | 3 Ų | 3 | 46.3 Ų | 46.3 | 3% | 0.025 | 23% | 0.228 | C | C | . | . | trans | -105.6 | 138.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.2 | K169 I171 R195 R199 G201 | K169-A203 VanDerWaalsContact O-CA 3.3Å; K169-A203 WeakPolarHBondContact O-CA 3.49Å; I171-A203 HydrophobicContact CD1-CB 4.25Å; I171-A203 HydrophobicContact CG1-CB 4.39Å; R195-A203 HydrophobicContact CB-CB 4.26Å; R195-A203 WeakPolarHBondContact CD-O 3.25Å; R195-A203 HydrophobicContact CG-CB 4.03Å; R195-A203 WeakPolarHBondContact CG-O 3.47Å; R199-A203 HydrophobicContact CB-CB 4.02Å; R199-A203 HydrophobicContact CG-CB 3.95Å; G201-A203 PolarHBondContact O-N 2.71Å | ||
| 204 | E | 82.6 | Confident | 73.3 | Confident | 64 Ų | 64 | 48 Ų | 48 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 140.2 | 174.4 | -67.3 | -59.5 | 154.4 | 0 | 0 | 110.6 | K169 V170 I171 I735 I738 | K169-E204 PolarHBondContact O-N 2.85Å; V170-E204 CarbonylContact C-O 3.53Å; V170-E204 WeakPolarHBondContact CA-O 3.29Å; I171-E204 PolarHBondContact N-O 3.16Å; E204-I735 HydrophobicContact CB-CD1 4.23Å; E204-I735 HydrophobicContact CB-CG1 3.62Å; E204-I735 HydrophobicContact CG-CG1 4.34Å; E204-I738 HydrophobicContact CB-CD1 4.46Å; E204-I738 HydrophobicContact CG-CD1 3.59Å |
| 205 | I | 85.4 | Confident | 74.3 | Confident | 5 Ų | 5 | 51.4 Ų | 51.4 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 118.6 | 179 | -57.5 | 170.4 | 0 | 0 | 0 | 109.1 | I171 A191 K192 R195 L729 | I171-I205 HydrophobicContact CB-CG1 4.36Å; I171-I205 CarbonylContact O-C 3.59Å; I171-I205 VanDerWaalsContact O-CA 3.28Å; I171-I205 WeakPolarHBondContact O-CA 3.45Å; A191-I205 HydrophobicContact CB-CD1 4.08Å; A191-I205 HydrophobicContact CB-CG1 4.47Å; A191-I205 HydrophobicContact CB-CG2 4.1Å; K192-I205 HydrophobicContact CB-CD1 4.37Å; K192-I205 HydrophobicContact CG-CD1 3.81Å; R195-I205 HydrophobicContact CB-CD1 4.12Å; R195-I205 HydrophobicContact CB-CG1 4.47Å; I205-L729 HydrophobicContact CB-CD2 4.25Å; I205-L729 HydrophobicContact CG2-CD1 4.27Å; I205-L729 HydrophobicContact CG2-CD2 4.46Å |
| 206 | G | 87.6 | Confident | 74.8 | Confident | 4 Ų | 4 | 49.6 Ų | 49.6 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 145.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I171 I172 Q173 | I171-G206 PolarHBondContact O-N 2.71Å; I172-G206 CarbonylContact C-O 3.51Å; I172-G206 WeakPolarHBondContact CA-O 3.33Å; Q173-G206 PolarHBondContact N-O 2.97Å |
| 207 | V | 91.4 | Very high | 76.2 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 8% | 0.079 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 131.9 | 179.3 | -176.5 | 0 | 0 | 0 | 0 | 110.8 | Q173 M188 L219 Y722 L729 | Q173-V207 HydrophobicContact CB-CG2 4.43Å; Q173-V207 CarbonylContact O-C 3.54Å; Q173-V207 WeakPolarHBondContact O-CA 3.27Å; M188-V207 HydrophobicContact CE-CG2 3.42Å; M188-V207 VanDerWaalsContact CE-CG2 3.42Å; V207-L219 WeakPolarHBondContact O-CD1 3.4Å; V207-Y722 WeakPolarHBondContact CG1-OH 3.27Å; V207-L729 HydrophobicContact CG2-CD1 3.46Å; V207-L729 VanDerWaalsContact CG2-CD1 3.46Å |
| 208 | I | 91.5 | Very high | 77.8 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 121.8 | 173.8 | -53.9 | 173.7 | 0 | 0 | 0 | 108.3 | I172 Q173 W174 N175 E213 L219 M220 L223 | I172-I208 HydrophobicContact CG2-CD1 3.7Å; I172-I208 HydrophobicContact CG2-CG1 4.07Å; Q173-I208 PolarHBondContact O-N 2.88Å; W174-I208 HydrophobicContact CG-CB 4.48Å; N175-I208 PolarHBondContact N-O 2.73Å; I208-E213 HydrophobicContact CG2-CB 4.45Å; I208-E213 HydrophobicContact CG2-CG 4.05Å; I208-L219 HydrophobicContact CD1-CB 3.65Å; I208-L219 HydrophobicContact CG1-CB 3.63Å; I208-L219 HydrophobicContact CG1-CD1 4.01Å; I208-L219 HydrophobicContact CG1-CG 4.49Å; I208-M220 HydrophobicContact CD1-CG 4.25Å; I208-M220 HydrophobicContact CD1-SD 3.84Å; I208-M220 HydrophobicContact CG2-CG 4.22Å; I208-M220 HydrophobicContact CG2-SD 3.79Å; I208-L223 HydrophobicContact CD1-CD2 3.95Å |
| 209 | E | 89.5 | Confident | 79.1 | Confident | 19 Ų | 19 | 43.5 Ų | 43.5 | 9% | 0.089 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 118.6 | 169.9 | -56.7 | -67.4 | 173.5 | 0 | 0 | 108.8 | N175 R184 D211 K212 E213 Y722 K726 | N175-E209 PolarHBondContact ND2-OE1 2.93Å; N175-E209 PolarHBondContact ND2-OE2 3.17Å; R184-E209 IonicContact CZ-OE2 2.94Å; R184-E209 IonicContact NH1-OE2 3.69Å; R184-E209 PolarHBondContact NH1-OE2 3.37Å; R184-E209 VanDerWaalsContact NH1-OE2 3.09Å; E209-D211 WeakPolarHBondContact CB-OD1 3.47Å; E209-D211 PolarHBondContact O-N 3.19Å; E209-K212 HydrophobicContact CB-CB 4.2Å; E209-K212 CarbonylContact O-C 3.6Å; E209-K212 WeakPolarHBondContact O-CA 3.45Å; E209-K212 PolarHBondContact O-N 3.39Å; E209-E213 PolarHBondContact O-N 3.4Å; E209-Y722 PolarHBondContact OE1-OH 2.71Å; E209-K726 IonicContact OE1-NZ 3.04Å; E209-K726 PolarHBondContact OE1-NZ 3.49Å |
| 210 | G | 84.4 | Confident | 80.3 | Confident | 13 Ų | 13 | 43.8 Ų | 43.8 | 13% | 0.134 | 26% | 0.261 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -23.1 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N175 K212 | N175-G210 VanDerWaalsContact O-CA 3.26Å; N175-G210 WeakPolarHBondContact O-CA 3.45Å; N175-G210 PolarHBondContact O-N 3.13Å; G210-K212 VanDerWaalsContact C-N 3.34Å |
| 211 | D | 83.9 | Confident | 81.8 | Confident | 90 Ų | 90 | 48.8 Ų | 48.8 | 48% | 0.481 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -13 | 172.4 | 66.6 | -40.5 | 0 | 0 | 0 | 112.9 | P177 E209 | P177-D211 HydrophobicContact CB-CB 4.16Å; E209-D211 WeakPolarHBondContact CB-OD1 3.47Å; E209-D211 PolarHBondContact O-N 3.19Å |
| 212 | K | 86.9 | Confident | 83.2 | Confident | 131 Ų | 131 | 47.3 Ų | 47.3 | 57% | 0.57 | 26% | 0.26 | S | S | * | . | trans | -135.7 | 38.3 | -177.1 | -59.2 | 176.7 | -173.2 | 174.4 | 0 | 112.3 | E209 G210 A214 A215 | E209-K212 HydrophobicContact CB-CB 4.2Å; E209-K212 CarbonylContact O-C 3.6Å; E209-K212 WeakPolarHBondContact O-CA 3.45Å; E209-K212 PolarHBondContact O-N 3.39Å; G210-K212 VanDerWaalsContact C-N 3.34Å; K212-A214 PolarHBondContact O-N 2.8Å; K212-A214 VanDerWaalsContact O-N 3.08Å; K212-A215 HydrophobicContact CB-CB 4.38Å; K212-A215 VanDerWaalsContact O-CB 3.24Å; K212-A215 WeakPolarHBondContact O-CB 3.47Å; K212-A215 PolarHBondContact O-N 3.32Å | ||
| 213 | E | 85.5 | Confident | 84.3 | Confident | 35 Ų | 35 | 41.4 Ų | 41.4 | 16% | 0.164 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -57.4 | -30.5 | -177.1 | -64.5 | -177 | 163.3 | 0 | 0 | 113.2 | W174 I208 E209 A215 S216 M220 R230 | W174-E213 PolarHBondContact NE1-OE1 2.88Å; I208-E213 HydrophobicContact CG2-CB 4.45Å; I208-E213 HydrophobicContact CG2-CG 4.05Å; E209-E213 PolarHBondContact O-N 3.4Å; E213-A215 PolarHBondContact O-N 3.1Å; E213-S216 CarbonylContact O-C 3.45Å; E213-S216 PolarHBondContact O-N 3.14Å; E213-M220 HydrophobicContact CB-CG 4.09Å; E213-M220 HydrophobicContact CB-SD 4.11Å; E213-M220 HydrophobicContact CG-SD 4.11Å; E213-R230 IonicContact OE1-CZ 3.09Å; E213-R230 IonicContact OE1-NH1 3.19Å; E213-R230 IonicContact OE1-NH2 3.34Å; E213-R230 PolarHBondContact OE1-NH2 2.79Å; E213-R230 IonicContact OE2-CZ 2.73Å; E213-R230 VanDerWaalsContact OE2-CZ 3.24Å; E213-R230 IonicContact OE2-NH1 3.74Å; E213-R230 PolarHBondContact OE2-NH1 3.15Å; E213-R230 IonicContact OE2-NH2 2.78Å; E213-R230 PolarHBondContact OE2-NH2 2.95Å |
| 214 | A | 82.3 | Confident | 85 | Confident | 96 Ų | 96 | 45.6 Ų | 45.6 | 79% | 0.793 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -64.2 | -16.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | K212 S216 | K212-A214 PolarHBondContact O-N 2.8Å; K212-A214 VanDerWaalsContact O-N 3.08Å; A214-S216 VanDerWaalsContact C-N 3.29Å |
| 215 | A | 82.7 | Confident | 84.9 | Confident | 77 Ų | 77 | 46.4 Ų | 46.4 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -80.9 | -8.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | K212 E213 P217 | K212-A215 HydrophobicContact CB-CB 4.38Å; K212-A215 VanDerWaalsContact O-CB 3.24Å; K212-A215 WeakPolarHBondContact O-CB 3.47Å; K212-A215 PolarHBondContact O-N 3.32Å; E213-A215 PolarHBondContact O-N 3.1Å; A215-P217 VanDerWaalsContact C-CD 3.47Å |
| 216 | S | 83.8 | Confident | 84.8 | Confident | 25 Ų | 25 | 48.4 Ų | 48.4 | 18% | 0.175 | 28% | 0.276 | C | S | . | . | trans | -134.4 | 56.7 | 178.8 | -52.1 | 0 | 0 | 0 | 0 | 111.6 | E213 A214 E218 L219 M220 | E213-S216 CarbonylContact O-C 3.45Å; E213-S216 PolarHBondContact O-N 3.14Å; A214-S216 VanDerWaalsContact C-N 3.29Å; S216-E218 PolarHBondContact O-N 3.43Å; S216-L219 PolarHBondContact O-N 2.85Å; S216-M220 WeakPolarHBondContact O-CG 3.43Å; S216-M220 PolarHBondContact O-N 2.64Å | ||
| 217 | P | 80.8 | Confident | 84.5 | Confident | 71 Ų | 71 | 49.1 Ų | 49.1 | 46% | 0.461 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -61.6 | -30.3 | -174.4 | 24.1 | -30.3 | 0 | 0 | 0 | 112.8 | A215 K221 | A215-P217 VanDerWaalsContact C-CD 3.47Å; P217-K221 PolarHBondContact O-N 3.35Å |
| 218 | E | 80.3 | Confident | 83.9 | Confident | 72 Ų | 72 | 50.3 Ų | 50.3 | 34% | 0.336 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -66.5 | -49.5 | 177.8 | -64.3 | 73.6 | -153.7 | 0 | 0 | 112 | S216 M220 K221 V222 M736 | S216-E218 PolarHBondContact O-N 3.43Å; E218-M220 VanDerWaalsContact C-N 3.34Å; E218-K221 WeakPolarHBondContact O-CB 3.48Å; E218-K221 PolarHBondContact O-N 3.44Å; E218-V222 PolarHBondContact O-N 2.69Å; E218-M736 HydrophobicContact CB-CE 4.44Å; E218-M736 HydrophobicContact CB-CG 3.76Å; E218-M736 HydrophobicContact CB-SD 3.62Å; E218-M736 HydrophobicContact CG-CE 3.78Å; E218-M736 HydrophobicContact CG-CG 4.16Å; E218-M736 HydrophobicContact CG-SD 3.5Å; E218-M736 WeakPolarHBondContact CG-SD 3.36Å |
| 219 | L | 84.2 | Confident | 83 | Confident | 8 Ų | 8 | 62 Ų | 62 | 4% | 0.042 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 178.4 | -62.7 | 179.1 | 0 | 0 | 0 | 111.4 | V207 I208 S216 K221 V222 L223 I735 | V207-L219 WeakPolarHBondContact O-CD1 3.4Å; I208-L219 HydrophobicContact CD1-CB 3.65Å; I208-L219 HydrophobicContact CG1-CB 3.63Å; I208-L219 HydrophobicContact CG1-CD1 4.01Å; I208-L219 HydrophobicContact CG1-CG 4.49Å; S216-L219 PolarHBondContact O-N 2.85Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 2.99Å; L219-V222 PolarHBondContact O-N 2.72Å; L219-L223 PolarHBondContact O-N 3.17Å; L219-I735 HydrophobicContact CD2-CB 4.21Å; L219-I735 HydrophobicContact CD2-CD1 3.83Å; L219-I735 HydrophobicContact CD2-CG2 3.69Å |
| 220 | M | 85.9 | Confident | 82.5 | Confident | 10 Ų | 10 | 65.6 Ų | 65.6 | 5% | 0.049 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -62.9 | -34.6 | 174.4 | -80.1 | -59.4 | -60.4 | 0 | 0 | 112.5 | W154 I208 E213 S216 E218 L223 Q224 | W154-M220 HydrophobicContact CH2-CE 4.24Å; I208-M220 HydrophobicContact CD1-CG 4.25Å; I208-M220 HydrophobicContact CD1-SD 3.84Å; I208-M220 HydrophobicContact CG2-CG 4.22Å; I208-M220 HydrophobicContact CG2-SD 3.79Å; E213-M220 HydrophobicContact CB-CG 4.09Å; E213-M220 HydrophobicContact CB-SD 4.11Å; E213-M220 HydrophobicContact CG-SD 4.11Å; S216-M220 WeakPolarHBondContact O-CG 3.43Å; S216-M220 PolarHBondContact O-N 2.64Å; E218-M220 VanDerWaalsContact C-N 3.34Å; M220-L223 PolarHBondContact O-N 2.64Å; M220-L223 HydrophobicContact SD-CD2 4.16Å; M220-Q224 WeakPolarHBondContact O-CB 3.45Å; M220-Q224 VanDerWaalsContact O-CG 3.27Å; M220-Q224 WeakPolarHBondContact O-CG 3.5Å; M220-Q224 PolarHBondContact O-N 3.28Å |
| 221 | K | 83.9 | Confident | 82.2 | Confident | 125 Ų | 125 | 66.8 Ų | 66.8 | 54% | 0.543 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 174 | -173.1 | -178.3 | 178 | -176 | 0 | 111.5 | P217 E218 L219 L223 Q224 D225 | P217-K221 PolarHBondContact O-N 3.35Å; E218-K221 WeakPolarHBondContact O-CB 3.48Å; E218-K221 PolarHBondContact O-N 3.44Å; L219-K221 VanDerWaalsContact C-N 3.28Å; L219-K221 PolarHBondContact O-N 2.99Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.19Å; K221-Q224 PolarHBondContact O-N 3.17Å; K221-D225 VanDerWaalsContact O-CB 3.29Å; K221-D225 WeakPolarHBondContact O-CB 3Å; K221-D225 PolarHBondContact O-N 2.87Å |
| 222 | V | 83.6 | Confident | 81.9 | Confident | 7 Ų | 7 | 70 Ų | 70 | 4% | 0.042 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 176.1 | 175.7 | 0 | 0 | 0 | 0 | 111.5 | L167 I172 E218 L219 D225 T226 T739 | L167-V222 HydrophobicContact CD1-CG1 4.03Å; I172-V222 HydrophobicContact CD1-CB 3.88Å; I172-V222 HydrophobicContact CD1-CG1 3.53Å; E218-V222 PolarHBondContact O-N 2.69Å; L219-V222 PolarHBondContact O-N 2.72Å; V222-D225 PolarHBondContact O-N 2.71Å; V222-T226 WeakPolarHBondContact O-CB 3.02Å; V222-T226 PolarHBondContact O-N 2.97Å; V222-T226 PolarHBondContact O-OG1 3.17Å; V222-T739 HydrophobicContact CB-CG2 4.34Å; V222-T739 HydrophobicContact CG1-CG2 3.7Å; V222-T739 HydrophobicContact CG2-CG2 3.85Å |
| 223 | L | 84.4 | Confident | 81.8 | Confident | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -62.2 | -44.6 | 179 | -166.5 | 61.7 | 0 | 0 | 0 | 111.4 | W154 F157 L165 W174 I208 L219 M220 K221 T226 L227 | W154-L223 HydrophobicContact CH2-CD2 3.38Å; W154-L223 HydrophobicContact CH2-CG 3.66Å; W154-L223 HydrophobicContact CZ2-CB 4.47Å; W154-L223 HydrophobicContact CZ2-CD2 4.05Å; W154-L223 HydrophobicContact CZ2-CG 3.8Å; W154-L223 HydrophobicContact CZ3-CD2 4.09Å; F157-L223 HydrophobicContact CZ-CD1 4.34Å; L165-L223 HydrophobicContact CB-CD1 4.29Å; L165-L223 HydrophobicContact CD2-CD1 3.53Å; L165-L223 HydrophobicContact CG-CD1 4.5Å; W174-L223 HydrophobicContact CG-CD2 4.33Å; I208-L223 HydrophobicContact CD1-CD2 3.95Å; L219-L223 PolarHBondContact O-N 3.17Å; M220-L223 PolarHBondContact O-N 2.64Å; M220-L223 HydrophobicContact SD-CD2 4.16Å; K221-L223 VanDerWaalsContact C-N 3.34Å; K221-L223 PolarHBondContact O-N 3.19Å; L223-T226 PolarHBondContact O-N 3.42Å; L223-L227 HydrophobicContact CD1-CD1 3.56Å; L223-L227 HydrophobicContact CD1-CG 4.3Å; L223-L227 HydrophobicContact CG-CD1 3.96Å; L223-L227 WeakPolarHBondContact O-CB 3.41Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 3.34Å |
| 224 | Q | 84.4 | Confident | 81.6 | Confident | 92 Ų | 92 | 68.8 Ų | 68.8 | 43% | 0.43 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.6 | -42.3 | 176.2 | -71.7 | 172.9 | 37.1 | 0 | 0 | 113 | W154 M220 K221 T226 G228 | W154-Q224 HydrophobicContact CZ2-CG 4.19Å; M220-Q224 WeakPolarHBondContact O-CB 3.45Å; M220-Q224 VanDerWaalsContact O-CG 3.27Å; M220-Q224 WeakPolarHBondContact O-CG 3.5Å; M220-Q224 PolarHBondContact O-N 3.28Å; K221-Q224 PolarHBondContact O-N 3.17Å; Q224-T226 PolarHBondContact O-N 3.27Å; Q224-G228 WeakPolarHBondContact O-CA 3.45Å; Q224-G228 PolarHBondContact O-N 3.46Å |
| 225 | D | 81.5 | Confident | 81.3 | Confident | 81 Ų | 81 | 68.7 Ų | 68.7 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -62.1 | -30.7 | 177.2 | -83.8 | -23.6 | 0 | 0 | 0 | 112.2 | K221 V222 K743 | K221-D225 VanDerWaalsContact O-CB 3.29Å; K221-D225 WeakPolarHBondContact O-CB 3Å; K221-D225 PolarHBondContact O-N 2.87Å; V222-D225 PolarHBondContact O-N 2.71Å; D225-K743 IonicContact OD1-NZ 3.24Å; D225-K743 PolarHBondContact OD1-NZ 2.61Å; D225-K743 VanDerWaalsContact OD1-NZ 3.09Å; D225-K743 IonicContact OD2-NZ 2.74Å; D225-K743 PolarHBondContact OD2-NZ 2.81Å |
| 226 | T | 82.5 | Confident | 80.5 | Confident | 47 Ų | 47 | 66.9 Ų | 66.9 | 29% | 0.288 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -87.8 | -45.7 | -177.3 | -54.4 | 0 | 0 | 0 | 0 | 112.6 | M152 L165 L167 V222 L223 Q224 | M152-T226 HydrophobicContact CE-CG2 3.86Å; L165-T226 HydrophobicContact CD1-CG2 4.3Å; L165-T226 HydrophobicContact CD2-CG2 4.1Å; L167-T226 HydrophobicContact CD2-CG2 3.81Å; V222-T226 WeakPolarHBondContact O-CB 3.02Å; V222-T226 PolarHBondContact O-N 2.97Å; V222-T226 PolarHBondContact O-OG1 3.17Å; L223-T226 PolarHBondContact O-N 3.42Å; Q224-T226 PolarHBondContact O-N 3.27Å |
| 227 | L | 81.2 | Confident | 79.4 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 10% | 0.099 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -91.4 | -9.7 | -174.9 | -59.9 | 176.6 | 0 | 0 | 0 | 113.2 | M152 W154 F157 L165 L223 | M152-L227 VanDerWaalsContact C-CD2 3.45Å; M152-L227 HydrophobicContact CB-CD2 4.08Å; M152-L227 WeakPolarHBondContact O-CD2 3.37Å; W154-L227 HydrophobicContact CD2-CD1 4.13Å; W154-L227 HydrophobicContact CE3-CD1 4.48Å; W154-L227 HydrophobicContact CG-CB 4.35Å; W154-L227 HydrophobicContact CZ2-CD1 4.28Å; F157-L227 HydrophobicContact CE2-CD1 3.48Å; F157-L227 VanDerWaalsContact CE2-CD1 3.48Å; F157-L227 HydrophobicContact CZ-CD1 3.75Å; L165-L227 HydrophobicContact CD1-CD2 4.37Å; L223-L227 HydrophobicContact CD1-CD1 3.56Å; L223-L227 HydrophobicContact CD1-CG 4.3Å; L223-L227 HydrophobicContact CG-CD1 3.96Å; L223-L227 WeakPolarHBondContact O-CB 3.41Å; L223-L227 WeakPolarHBondContact O-CG 3.29Å; L223-L227 PolarHBondContact O-N 3.34Å |
| 228 | G | 78 | Confident | 78 | Confident | 37 Ų | 37 | 72 Ų | 72 | 38% | 0.381 | 37% | 0.374 | S | S | . | . | trans | 79.5 | -155.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W154 Q224 R230 | W154-G228 PolarHBondContact NE1-O 3.26Å; Q224-G228 WeakPolarHBondContact O-CA 3.45Å; Q224-G228 PolarHBondContact O-N 3.46Å; G228-R230 PolarHBondContact O-N 3.24Å | ||
| 229 | R | 74.5 | Confident | 76.3 | Confident | 245 Ų | 245 | 73.3 Ų | 73.3 | 93% | 0.925 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -62 | 124.8 | -172.9 | -170.8 | 177.8 | -175.5 | -178.9 | 1.6 | 110.7 | S231 | R229-S231 PolarHBondContact O-N 3.17Š|
| 230 | R | 78.4 | Confident | 74.4 | Confident | 96 Ų | 96 | 81.3 Ų | 81.3 | 36% | 0.362 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 123.7 | -178.1 | -168.8 | 170.8 | -172.3 | 166.9 | 6 | 112.2 | W154 E213 G228 | W154-R230 HydrophobicContact CD2-CG 4.07Å; W154-R230 HydrophobicContact CE3-CG 4.38Å; W154-R230 HydrophobicContact CG-CG 4.4Å; W154-R230 HydrophobicContact CZ2-CG 4.43Å; E213-R230 IonicContact OE1-CZ 3.09Å; E213-R230 IonicContact OE1-NH1 3.19Å; E213-R230 IonicContact OE1-NH2 3.34Å; E213-R230 PolarHBondContact OE1-NH2 2.79Å; E213-R230 IonicContact OE2-CZ 2.73Å; E213-R230 VanDerWaalsContact OE2-CZ 3.24Å; E213-R230 IonicContact OE2-NH1 3.74Å; E213-R230 PolarHBondContact OE2-NH1 3.15Å; E213-R230 IonicContact OE2-NH2 2.78Å; E213-R230 PolarHBondContact OE2-NH2 2.95Å; G228-R230 PolarHBondContact O-N 3.24Å |
| 231 | S | 76.8 | Confident | 72.1 | Confident | 37 Ų | 37 | 88.3 Ų | 88.3 | 26% | 0.259 | 46% | 0.456 | S | S | . | . | P | Polyproline II helix | trans | -92.7 | 171.9 | 169.8 | 63.6 | 0 | 0 | 0 | 0 | 111.5 | W154 D155 R229 I233 | W154-S231 VanDerWaalsContact CB-OG 3.23Å; W154-S231 WeakPolarHBondContact CB-OG 3.44Å; D155-S231 WeakPolarHBondContact OD1-CB 3.2Å; D155-S231 PolarHBondContact OD1-OG 2.98Å; R229-S231 PolarHBondContact O-N 3.17Å; S231-I233 PolarHBondContact O-N 3.2Å |
| 232 | I | 79.4 | Confident | 69.7 | Low | 158 Ų | 158 | 89.9 Ų | 89.9 | 81% | 0.81 | 47% | 0.469 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 118.3 | 178.9 | -60.7 | 172.5 | 0 | 0 | 0 | 108.6 | K234 | I232-K234 PolarHBondContact O-N 2.86Š|
| 233 | I | 83.1 | Confident | 67.4 | Low | 27 Ų | 27 | 92.8 Ų | 92.8 | 14% | 0.138 | 48% | 0.484 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 125.5 | 178.5 | -57.9 | -178.5 | 0 | 0 | 0 | 109.5 | W154 F157 R159 W174 S231 | W154-I233 HydrophobicContact CE3-CD1 4.44Å; W154-I233 HydrophobicContact CZ3-CD1 4.25Å; F157-I233 HydrophobicContact CB-CG1 4.44Å; F157-I233 HydrophobicContact CB-CG2 4.17Å; R159-I233 HydrophobicContact CG-CB 4.45Å; R159-I233 HydrophobicContact CG-CG2 3.8Å; W174-I233 HydrophobicContact CH2-CD1 3.89Å; W174-I233 HydrophobicContact CH2-CG2 4.35Å; W174-I233 HydrophobicContact CZ2-CD1 3.69Å; S231-I233 PolarHBondContact O-N 3.2Å |
| 234 | K | 81.3 | Confident | 64.8 | Low | 114 Ų | 114 | 102.4 Ų | 102.4 | 50% | 0.496 | 53% | 0.529 | S | S | . | . | B | Isolated β-bridge | trans | -70.8 | 151.5 | -176 | -65.2 | 167.6 | -172.2 | 153.7 | 0 | 111.4 | D155 N158 R159 I232 | D155-K234 PolarHBondContact O-NZ 2.67Å; N158-K234 CarbonylContact C-O 3.54Å; N158-K234 VanDerWaalsContact CA-O 3.27Å; N158-K234 WeakPolarHBondContact CA-O 3.37Å; R159-K234 PolarHBondContact N-O 3.22Å; I232-K234 PolarHBondContact O-N 2.86Å |
| 235 | P | 77.1 | Confident | 62.4 | Low | 94 Ų | 94 | 106.8 Ų | 106.8 | 61% | 0.61 | 55% | 0.55 | S | S | * | . | P | Polyproline II helix | trans | -62.8 | 161.7 | 171.2 | 27.4 | -33.9 | 0 | 0 | 0 | 111.6 | V237 | P235-V237 PolarHBondContact O-N 3.13Š|
| 236 | A | 65.3 | Low | 60.5 | Low | 39 Ų | 39 | 107.2 Ų | 107.2 | 32% | 0.322 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 135.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | P238 | A236-P238 WeakPolarHBondContact O-CD 3.42Š|
| 237 | V | 60.7 | Low | 58.6 | Low | 96 Ų | 96 | 111.2 Ų | 111.2 | 58% | 0.582 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 120.7 | 170.5 | -179.2 | 0 | 0 | 0 | 0 | 107.9 | K140 P235 | K140-V237 PolarHBondContact NZ-O 3.35Å; P235-V237 PolarHBondContact O-N 3.13Å |
| 238 | P | 52.6 | Low | 56.8 | Low | 107 Ų | 107 | 114.8 Ų | 114.8 | 70% | 0.695 | 59% | 0.589 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 136.5 | 177.3 | -20 | 32.2 | 0 | 0 | 0 | 112 | A236 E240 | A236-P238 WeakPolarHBondContact O-CD 3.42Å; P238-E240 PolarHBondContact O-N 3.24Å |
| 239 | D | 44.3 | Very low | 55.7 | Low | 100 Ų | 100 | 117.7 Ų | 117.7 | 54% | 0.535 | 60% | 0.596 | S | S | . | * | S | Bend | trans | -74.4 | 12.1 | -178.2 | -70.1 | -19.7 | 0 | 0 | 0 | 114.3 | K140 | K140-D239 WeakPolarHBondContact CE-OD1 3.34Å; K140-D239 IonicContact NZ-OD1 3.2Å |
| 240 | E | 43.4 | Very low | 55.4 | Low | 175 Ų | 175 | 106.7 Ų | 106.7 | 82% | 0.818 | 56% | 0.555 | S | S | * | * | trans | -119 | 66.4 | -170.4 | -69.2 | -172.7 | 170.6 | 0 | 0 | 113 | P238 | P238-E240 PolarHBondContact O-N 3.24Š| ||
| 241 | I | 37.6 | Very low | 55.4 | Low | 157 Ų | 157 | 104 Ų | 104 | 81% | 0.805 | 55% | 0.548 | S | S | * | . | trans | -145.7 | 98.3 | 152.9 | -48.6 | 179.8 | 0 | 0 | 0 | 108.7 | ||||
| 242 | I | 33.8 | Very low | 55.7 | Low | 159 Ų | 159 | 102.3 Ų | 102.3 | 82% | 0.815 | 54% | 0.535 | S | S | * | . | S | Bend | trans | 155.2 | 128.9 | 140 | -75.1 | 154.8 | 0 | 0 | 0 | 106 | ||
| 243 | D | 34.9 | Very low | 55.9 | Low | 68 Ų | 68 | 95.3 Ų | 95.3 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | trans | 103.6 | 38.9 | 160.1 | -116.2 | 25.2 | 0 | 0 | 0 | 121.4 | Q246 | D243-Q246 WeakPolarHBondContact OD1-CB 3.12Å; D243-Q246 PolarHBondContact OD1-OE1 3.19Å | ||
| 244 | Q | 30.5 | Very low | 55.8 | Low | 203 Ų | 203 | 95.9 Ų | 95.9 | 95% | 0.949 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -90.8 | 5.1 | 161 | -115.8 | 168.8 | 7.7 | 0 | 0 | 114.5 | ||
| 245 | Q | 34 | Very low | 55.4 | Low | 183 Ų | 183 | 90.6 Ų | 90.6 | 86% | 0.855 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -126.7 | -2.8 | -176.4 | -88.5 | -179.8 | -11.7 | 0 | 0 | 116.8 | ||
| 246 | Q | 42.1 | Very low | 54.8 | Low | 91 Ų | 91 | 87.3 Ų | 87.3 | 43% | 0.425 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -105 | -2.8 | -177.7 | -68.7 | -167.6 | -34.3 | 0 | 0 | 116.9 | D243 S288 | D243-Q246 WeakPolarHBondContact OD1-CB 3.12Å; D243-Q246 PolarHBondContact OD1-OE1 3.19Å; Q246-S288 WeakPolarHBondContact O-CB 3.28Å; Q246-S288 PolarHBondContact O-OG 2.86Å |
| 247 | K | 41.2 | Very low | 54.4 | Low | 131 Ų | 131 | 90.8 Ų | 90.8 | 57% | 0.57 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -95.6 | 13 | -173 | -70.9 | -172.6 | -178.2 | 177.2 | 0 | 117.2 | T290 | K247-T290 HydrophobicContact CG-CG2 4.21Š|
| 248 | S | 43.1 | Very low | 54.1 | Low | 94 Ų | 94 | 89 Ų | 89 | 66% | 0.657 | 46% | 0.462 | S | S | * | . | S | Bend | trans | -103 | -11.3 | -179.2 | 57.1 | 0 | 0 | 0 | 0 | 116 | ||
| 249 | N | 56.3 | Low | 53.7 | Low | 98 Ų | 98 | 90.4 Ų | 90.4 | 52% | 0.524 | 47% | 0.471 | S | S | . | . | trans | -110.7 | 111.3 | -177.5 | -75.9 | -13.3 | 0 | 0 | 0 | 111.5 | S288 | N249-S288 WeakPolarHBondContact CB-OG 3.14Å; N249-S288 PolarHBondContact O-N 2.84Å; N249-S288 PolarHBondContact O-OG 2.86Å | ||
| 250 | I | 68.3 | Low | 53.9 | Low | 13 Ų | 13 | 89.6 Ų | 89.6 | 7% | 0.067 | 49% | 0.487 | C | S | . | . | trans | -107.1 | 126.5 | 166.3 | -56.7 | -169.9 | 0 | 0 | 0 | 107.9 | R270 L272 L285 D286 Q287 L342 | I250-R270 HydrophobicContact CB-CG 4.27Å; I250-R270 VanDerWaalsContact CD1-NH2 3.31Å; I250-L272 HydrophobicContact CG2-CD1 3.88Å; I250-L285 HydrophobicContact CG2-CD2 3.55Å; I250-L285 HydrophobicContact CG2-CG 4.01Å; I250-D286 WeakPolarHBondContact CA-O 3.14Å; I250-Q287 HydrophobicContact CD1-CG 4.35Å; I250-Q287 HydrophobicContact CG1-CG 4.37Å; I250-L342 HydrophobicContact CD1-CD2 3.9Å | ||
| 251 | M | 78.2 | Confident | 54 | Low | 41 Ų | 41 | 89 Ų | 89 | 20% | 0.202 | 48% | 0.484 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 133.8 | -177.2 | -72.5 | -103.8 | -157.7 | 0 | 0 | 110 | Y253 E266 T269 L285 D286 | M251-Y253 HydrophobicContact CB-CD2 4.31Å; M251-Y253 HydrophobicContact CB-CE2 3.5Å; M251-Y253 VanDerWaalsContact CB-CE2 3.5Å; M251-E266 VanDerWaalsContact SD-CD 3.51Å; M251-E266 HydrophobicContact SD-CG 3.95Å; M251-T269 HydrophobicContact CE-CG2 3.77Å; M251-T269 HydrophobicContact CG-CG2 4.02Å; M251-T269 HydrophobicContact SD-CG2 3.3Å; M251-T269 WeakPolarHBondContact SD-CG2 3.47Å; M251-L285 WeakPolarHBondContact O-CA 3.45Å; M251-D286 HydrophobicContact CB-CB 4.42Å; M251-D286 PolarHBondContact N-O 3.28Å; M251-D286 PolarHBondContact O-N 2.72Å |
| 252 | L | 82.4 | Confident | 54.6 | Low | 1 Ų | 1 | 85.4 Ų | 85.4 | 1% | 0.005 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 132.6 | 171.9 | -175 | 69.2 | 0 | 0 | 0 | 109.3 | V267 A268 L272 L276 L277 Y283 L285 | L252-V267 HydrophobicContact CD2-CB 4.46Å; L252-V267 HydrophobicContact CD2-CG1 4.26Å; L252-V267 HydrophobicContact CG-CB 4.41Å; L252-V267 WeakPolarHBondContact O-CB 3.26Å; L252-V267 PolarHBondContact O-N 2.61Å; L252-A268 PolarHBondContact N-O 3.33Å; L252-A268 PolarHBondContact O-N 3.31Å; L252-L272 HydrophobicContact CB-CD1 4.38Å; L252-L272 HydrophobicContact CB-CD2 3.88Å; L252-L276 HydrophobicContact CD2-CB 3.72Å; L252-L276 HydrophobicContact CD2-CD1 4.23Å; L252-L277 HydrophobicContact CD1-CD2 4.11Å; L252-L277 HydrophobicContact CD2-CD2 4.22Å; L252-Y283 HydrophobicContact CD1-CD1 4.35Å; L252-Y283 HydrophobicContact CD2-CD1 4.35Å; L252-Y283 HydrophobicContact CG-CD1 4.26Å; L252-L285 HydrophobicContact CD1-CB 3.99Å; L252-L285 HydrophobicContact CD1-CD1 4.35Å; L252-L285 HydrophobicContact CD1-CG 4.4Å |
| 253 | Y | 83.6 | Confident | 55.8 | Low | 10 Ų | 10 | 79.9 Ų | 79.9 | 4% | 0.039 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 142.5 | 176.9 | -58.1 | -94.8 | 0 | 0 | 0 | 110.9 | M251 V264 T265 E266 Y283 I284 D286 F315 K319 | M251-Y253 HydrophobicContact CB-CD2 4.31Å; M251-Y253 HydrophobicContact CB-CE2 3.5Å; M251-Y253 VanDerWaalsContact CB-CE2 3.5Å; Y253-V264 HydrophobicContact CD1-CG1 3.64Å; Y253-V264 HydrophobicContact CG-CG1 3.67Å; Y253-T265 CarbonylContact C-O 3.53Å; Y253-T265 WeakPolarHBondContact CA-O 3.22Å; Y253-E266 HydrophobicContact CD1-CB 4.16Å; Y253-E266 HydrophobicContact CE1-CB 4.09Å; Y253-E266 HydrophobicContact CE1-CG 4.33Å; Y253-Y283 CarbonylContact O-C 3.52Å; Y253-Y283 VanDerWaalsContact O-CA 3.27Å; Y253-Y283 WeakPolarHBondContact O-CA 3.49Å; Y253-Y283 WeakPolarHBondContact O-CB 3.5Å; Y253-I284 PolarHBondContact N-O 2.72Å; Y253-I284 PolarHBondContact O-N 3.09Å; Y253-D286 HydrophobicContact CD2-CB 4.25Å; Y253-D286 HydrophobicContact CE2-CB 3.71Å; Y253-F315 HydrophobicContact CD1-CE2 4.28Å; Y253-F315 AromaticContact CD2-CE2 3.97Å; Y253-F315 HydrophobicContact CD2-CE2 3.97Å; Y253-F315 AromaticContact CD2-CZ 3.79Å; Y253-F315 HydrophobicContact CD2-CZ 3.79Å; Y253-F315 HydrophobicContact CE1-CE2 4.23Å; Y253-F315 HydrophobicContact CE1-CZ 4.47Å; Y253-F315 AromaticContact CE2-CE2 3.92Å; Y253-F315 HydrophobicContact CE2-CE2 3.92Å; Y253-F315 AromaticContact CE2-CZ 3.45Å; Y253-F315 HydrophobicContact CE2-CZ 3.45Å; Y253-F315 VanDerWaalsContact CE2-CZ 3.45Å; Y253-F315 HydrophobicContact CG-CE2 4.15Å; Y253-F315 HydrophobicContact CG-CZ 4.43Å; Y253-F315 AromaticContact CZ-CZ 3.83Å; Y253-K319 VanDerWaalsContact OH-CE 3.3Å; Y253-K319 WeakPolarHBondContact OH-CE 3.47Å; Y253-K319 PolarHBondContact OH-NZ 3.03Å |
| 254 | H | 80.4 | Confident | 57.2 | Low | 39 Ų | 39 | 78 Ų | 78 | 18% | 0.181 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 138.8 | 172.2 | 174.5 | -104.3 | 0 | 0 | 0 | 109.7 | T265 V267 D281 Y283 | H254-T265 PolarHBondContact N-O 3.46Å; H254-T265 PolarHBondContact O-N 2.93Å; H254-V267 HydrophobicContact CB-CG2 3.43Å; H254-V267 VanDerWaalsContact CB-CG2 3.43Å; H254-V267 VanDerWaalsContact N-CG2 3.27Å; H254-D281 IonicContact CE1-OD1 3.6Å; H254-D281 IonicContact NE2-OD1 3.55Å; H254-D281 PolarHBondContact NE2-OD1 2.69Å; H254-D281 IonicContact NE2-OD2 2.62Å; H254-Y283 HydrophobicContact CB-CD1 4.16Å; H254-Y283 HydrophobicContact CB-CE1 3.96Å; H254-Y283 AromaticContact CD2-CE1 3.72Å; H254-Y283 AromaticContact CD2-CZ 3.79Å |
| 255 | V | 73.4 | Confident | 59 | Low | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.024 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 102 | -178.1 | -177.5 | 0 | 0 | 0 | 0 | 108.8 | C282 I284 K311 | V255-C282 HydrophobicContact CB-CB 4.23Å; V255-C282 VanDerWaalsContact CB-O 3.29Å; V255-C282 WeakPolarHBondContact CB-O 3.45Å; V255-C282 PolarHBondContact N-O 3.3Å; V255-I284 HydrophobicContact CG2-CB 4.41Å; V255-I284 HydrophobicContact CG2-CD1 3.77Å; V255-I284 HydrophobicContact CG2-CG1 3.67Å; V255-K311 HydrophobicContact CG1-CD 3.22Å; V255-K311 HydrophobicContact CG1-CG 4.47Å |
| 256 | S | 64.5 | Low | 61 | Low | 24 Ų | 24 | 68.8 Ų | 68.8 | 17% | 0.168 | 40% | 0.397 | C | S | . | . | trans | -81.4 | 161.1 | 179.5 | 62.8 | 0 | 0 | 0 | 0 | 114.1 | A263 K311 | S256-A263 WeakPolarHBondContact OG-CB 3.43Å; S256-A263 PolarHBondContact OG-O 3.29Å; S256-K311 PolarHBondContact O-NZ 2.87Å | ||
| 257 | D | 57.3 | Low | 62.5 | Low | 113 Ų | 113 | 67.1 Ų | 67.1 | 60% | 0.604 | 39% | 0.393 | S | S | * | . | trans | -101.4 | 4.5 | -176.5 | 71.3 | -19 | 0 | 0 | 0 | 114.5 | P259 E304 | D257-P259 WeakPolarHBondContact O-CD 3.5Å; D257-P259 VanDerWaalsContact O-N 3.16Å; D257-E304 HydrophobicContact CB-CG 4.37Å; D257-E304 WeakPolarHBondContact CB-OE1 3.5Å | ||
| 258 | S | 54.7 | Low | 63.7 | Low | 57 Ų | 57 | 61.7 Ų | 61.7 | 40% | 0.399 | 37% | 0.373 | S | S | . | . | trans | -56.9 | 121.7 | -177.7 | 47.1 | 0 | 0 | 0 | 0 | 111 | G260 | S258-G260 PolarHBondContact O-N 3.45Š| ||
| 259 | P | 44 | Very low | 64.9 | Low | 137 Ų | 137 | 60.6 Ų | 60.6 | 89% | 0.89 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | 121.1 | -172.9 | -21.7 | 30.2 | 0 | 0 | 0 | 112 | D257 | D257-P259 WeakPolarHBondContact O-CD 3.5Å; D257-P259 VanDerWaalsContact O-N 3.16Å |
| 260 | G | 47.8 | Very low | 64.8 | Low | 84 Ų | 84 | 63.1 Ų | 63.1 | 87% | 0.866 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 103.2 | -5.6 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | S258 | S258-G260 PolarHBondContact O-N 3.45Š|
| 261 | Q | 46.2 | Very low | 64 | Low | 162 Ų | 162 | 66.6 Ų | 66.6 | 76% | 0.757 | 39% | 0.388 | S | S | * | . | S | Bend | trans | -146.9 | 125.1 | 170.5 | -125 | 170.4 | 7.2 | 0 | 0 | 110.1 | A263 | Q261-A263 PolarHBondContact O-N 3.01Š|
| 262 | L | 50.9 | Low | 63.6 | Low | 82 Ų | 82 | 64.7 Ų | 64.7 | 43% | 0.429 | 38% | 0.379 | S | S | . | . | trans | -66 | 81.6 | 171.4 | -115.9 | 153.9 | 0 | 0 | 0 | 108.3 | V264 K311 | L262-V264 HydrophobicContact CD2-CG2 3.86Å; L262-V264 PolarHBondContact O-N 3.43Å; L262-V264 VanDerWaalsContact O-N 3.1Å; L262-K311 HydrophobicContact CD1-CB 4.48Å; L262-K311 HydrophobicContact CD1-CG 4.09Å; L262-K311 HydrophobicContact CD2-CB 3.81Å; L262-K311 HydrophobicContact CD2-CD 3.76Å; L262-K311 HydrophobicContact CD2-CG 3.67Å; L262-K311 HydrophobicContact CG-CD 4.35Å; L262-K311 HydrophobicContact CG-CG 4.09Å | ||
| 263 | A | 58.1 | Low | 63.3 | Low | 42 Ų | 42 | 67 Ų | 67 | 35% | 0.347 | 39% | 0.392 | S | S | . | . | trans | -81.2 | 90.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | S256 Q261 | S256-A263 WeakPolarHBondContact OG-CB 3.43Å; S256-A263 PolarHBondContact OG-O 3.29Å; Q261-A263 PolarHBondContact O-N 3.01Å | ||
| 264 | V | 64 | Low | 62.9 | Low | 29 Ų | 29 | 68.3 Ų | 68.3 | 18% | 0.176 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 108.8 | 170.7 | -176.5 | 0 | 0 | 0 | 0 | 107.1 | Y253 L262 F315 M318 | Y253-V264 HydrophobicContact CD1-CG1 3.64Å; Y253-V264 HydrophobicContact CG-CG1 3.67Å; L262-V264 HydrophobicContact CD2-CG2 3.86Å; L262-V264 PolarHBondContact O-N 3.43Å; L262-V264 VanDerWaalsContact O-N 3.1Å; V264-F315 HydrophobicContact CB-CD2 4.43Å; V264-F315 HydrophobicContact CG1-CD2 3.84Å; V264-F315 HydrophobicContact CG1-CE2 3.83Å; V264-F315 HydrophobicContact CG2-CD2 4.28Å; V264-M318 HydrophobicContact CB-CE 4.29Å; V264-M318 HydrophobicContact CG2-CE 4.19Å |
| 265 | T | 69.4 | Low | 62.9 | Low | 73 Ų | 73 | 73.4 Ų | 73.4 | 45% | 0.448 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.7 | -179.4 | 55.4 | 0 | 0 | 0 | 0 | 109.9 | Y253 H254 V267 | Y253-T265 CarbonylContact C-O 3.53Å; Y253-T265 WeakPolarHBondContact CA-O 3.22Å; H254-T265 PolarHBondContact N-O 3.46Å; H254-T265 PolarHBondContact O-N 2.93Å; T265-V267 PolarHBondContact O-N 3.4Å |
| 266 | E | 74.9 | Confident | 63.3 | Low | 119 Ų | 119 | 75.5 Ų | 75.5 | 56% | 0.556 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 125.6 | 175.9 | -172.2 | -178.7 | 145 | 0 | 0 | 109.3 | M251 Y253 | M251-E266 VanDerWaalsContact SD-CD 3.51Å; M251-E266 HydrophobicContact SD-CG 3.95Å; Y253-E266 HydrophobicContact CD1-CB 4.16Å; Y253-E266 HydrophobicContact CE1-CB 4.09Å; Y253-E266 HydrophobicContact CE1-CG 4.33Å |
| 267 | V | 74.3 | Confident | 64.2 | Low | 56 Ų | 56 | 74.9 Ų | 74.9 | 34% | 0.339 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -50 | -177.8 | 178.1 | 0 | 0 | 0 | 0 | 110.2 | L252 H254 T265 L276 Y283 | L252-V267 HydrophobicContact CD2-CB 4.46Å; L252-V267 HydrophobicContact CD2-CG1 4.26Å; L252-V267 HydrophobicContact CG-CB 4.41Å; L252-V267 WeakPolarHBondContact O-CB 3.26Å; L252-V267 PolarHBondContact O-N 2.61Å; H254-V267 HydrophobicContact CB-CG2 3.43Å; H254-V267 VanDerWaalsContact CB-CG2 3.43Å; H254-V267 VanDerWaalsContact N-CG2 3.27Å; T265-V267 PolarHBondContact O-N 3.4Å; V267-L276 HydrophobicContact CG1-CD2 4.3Å; V267-Y283 HydrophobicContact CG2-CE1 4.34Å |
| 268 | A | 66.3 | Low | 65.5 | Low | 18 Ų | 18 | 72.7 Ų | 72.7 | 15% | 0.149 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 152.5 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113 | L252 L272 L276 | L252-A268 PolarHBondContact N-O 3.33Å; L252-A268 PolarHBondContact O-N 3.31Å; A268-L272 HydrophobicContact CB-CD2 3.8Å; A268-L276 HydrophobicContact CB-CD1 3.66Å; A268-L276 HydrophobicContact CB-CD2 4.49Å |
| 269 | T | 67.6 | Low | 67 | Low | 71 Ų | 71 | 73.5 Ų | 73.5 | 44% | 0.436 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 168.3 | 159.7 | 48.2 | 0 | 0 | 0 | 0 | 109.6 | M251 | M251-T269 HydrophobicContact CE-CG2 3.77Å; M251-T269 HydrophobicContact CG-CG2 4.02Å; M251-T269 HydrophobicContact SD-CG2 3.3Å; M251-T269 WeakPolarHBondContact SD-CG2 3.47Å |
| 270 | R | 53.8 | Low | 68.8 | Low | 150 Ų | 150 | 71.7 Ų | 71.7 | 57% | 0.566 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -51.2 | 143.3 | 179 | -84.8 | -171.7 | 172 | -163.9 | -1.2 | 112.3 | I250 | I250-R270 HydrophobicContact CB-CG 4.27Å; I250-R270 VanDerWaalsContact CD1-NH2 3.31Å |
| 271 | P | 53.2 | Low | 70.5 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 57% | 0.565 | 37% | 0.369 | S | S | * | . | S | Bend | cis | -79.4 | 130.6 | 1.3 | 30.8 | -32.9 | 0 | 0 | 0 | 112.6 | Q344 | P271-Q344 HydrophobicContact CB-CB 4.34Š|
| 272 | L | 69.8 | Low | 72.4 | Confident | 1 Ų | 1 | 61.7 Ų | 61.7 | 1% | 0.005 | 33% | 0.334 | C | S | . | . | B | Isolated β-bridge | trans | -82.3 | 134.3 | 174 | -58.7 | -179.9 | 0 | 0 | 0 | 109.3 | I250 L252 A268 L276 L285 F343 Q344 | I250-L272 HydrophobicContact CG2-CD1 3.88Å; L252-L272 HydrophobicContact CB-CD1 4.38Å; L252-L272 HydrophobicContact CB-CD2 3.88Å; A268-L272 HydrophobicContact CB-CD2 3.8Å; L272-L276 HydrophobicContact CB-CD1 4.38Å; L272-L276 HydrophobicContact CD2-CD1 4.09Å; L272-L285 HydrophobicContact CD1-CD1 3.66Å; L272-L285 HydrophobicContact CD1-CG 4.24Å; L272-F343 HydrophobicContact CB-CD1 3.67Å; L272-F343 HydrophobicContact CB-CE1 4.01Å; L272-F343 HydrophobicContact CB-CG 4.27Å; L272-F343 HydrophobicContact CD1-CE1 4.43Å; L272-F343 CarbonylContact O-C 3.57Å; L272-F343 VanDerWaalsContact O-CA 3.31Å; L272-F343 WeakPolarHBondContact O-CA 3.43Å; L272-Q344 WeakPolarHBondContact O-CB 3.33Å; L272-Q344 PolarHBondContact O-N 2.84Å |
| 273 | V | 76 | Confident | 74.1 | Confident | 49 Ų | 49 | 58.5 Ų | 58.5 | 30% | 0.297 | 32% | 0.316 | S | S | . | . | trans | -113.7 | 148 | 172.9 | -63.8 | 0 | 0 | 0 | 0 | 109.9 | D275 L276 Q344 | V273-D275 PolarHBondContact O-N 2.81Å; V273-L276 HydrophobicContact CG2-CD1 4.16Å; V273-L276 HydrophobicContact CG2-CD2 4.44Å; V273-L276 HydrophobicContact CG2-CG 3.81Å; V273-L276 VanDerWaalsContact O-CB 3.3Å; V273-L276 WeakPolarHBondContact O-CB 3.28Å; V273-L276 VanDerWaalsContact O-CG 3.28Å; V273-L276 WeakPolarHBondContact O-CG 3.1Å; V273-L276 PolarHBondContact O-N 3.21Å; V273-L276 VanDerWaalsContact O-N 3.07Å; V273-Q344 HydrophobicContact CG1-CB 4.45Å | ||
| 274 | Q | 74.8 | Confident | 75.6 | Confident | 37 Ų | 37 | 56.5 Ų | 56.5 | 17% | 0.173 | 30% | 0.3 | C | S | . | . | G | 310 helix | trans | -56.5 | -33.7 | -175.5 | -175.3 | -175.1 | 7.6 | 0 | 0 | 112.9 | L276 L277 W346 S347 | Q274-L276 PolarHBondContact O-N 3.04Å; Q274-L277 PolarHBondContact O-N 2.94Å; Q274-W346 HydrophobicContact CB-CE3 4.27Å; Q274-W346 HydrophobicContact CG-CD2 4.13Å; Q274-W346 HydrophobicContact CG-CE3 4.01Å; Q274-W346 HydrophobicContact CG-CH2 4.31Å; Q274-W346 HydrophobicContact CG-CZ2 4.42Å; Q274-W346 HydrophobicContact CG-CZ3 4.11Å; Q274-S347 PolarHBondContact NE2-O 3.23Å; Q274-S347 PolarHBondContact OE1-O 3.03Å; Q274-S347 PolarHBondContact OE1-OG 2.87Å |
| 275 | D | 80.7 | Confident | 76.5 | Confident | 147 Ų | 147 | 55.2 Ų | 55.2 | 79% | 0.786 | 29% | 0.292 | S | S | * | . | G | 310 helix | trans | -62.5 | -9.4 | 179.7 | -59.7 | -34.7 | 0 | 0 | 0 | 113.9 | V273 L277 | V273-D275 PolarHBondContact O-N 2.81Å; D275-L277 VanDerWaalsContact C-N 3.28Å |
| 276 | L | 81.3 | Confident | 77.2 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 25% | 0.246 | 27% | 0.271 | C | S | . | . | G | 310 helix | trans | -74.1 | -17.5 | 172.6 | -62.3 | 172.3 | 0 | 0 | 0 | 113.2 | L252 V267 A268 L272 V273 Q274 Y283 | L252-L276 HydrophobicContact CD2-CB 3.72Å; L252-L276 HydrophobicContact CD2-CD1 4.23Å; V267-L276 HydrophobicContact CG1-CD2 4.3Å; A268-L276 HydrophobicContact CB-CD1 3.66Å; A268-L276 HydrophobicContact CB-CD2 4.49Å; L272-L276 HydrophobicContact CB-CD1 4.38Å; L272-L276 HydrophobicContact CD2-CD1 4.09Å; V273-L276 HydrophobicContact CG2-CD1 4.16Å; V273-L276 HydrophobicContact CG2-CD2 4.44Å; V273-L276 HydrophobicContact CG2-CG 3.81Å; V273-L276 VanDerWaalsContact O-CB 3.3Å; V273-L276 WeakPolarHBondContact O-CB 3.28Å; V273-L276 VanDerWaalsContact O-CG 3.28Å; V273-L276 WeakPolarHBondContact O-CG 3.1Å; V273-L276 PolarHBondContact O-N 3.21Å; V273-L276 VanDerWaalsContact O-N 3.07Å; Q274-L276 PolarHBondContact O-N 3.04Å; L276-Y283 WeakPolarHBondContact O-CE1 3.3Å; L276-Y283 PolarHBondContact O-OH 3.39Å |
| 277 | L | 84 | Confident | 77 | Confident | 11 Ų | 11 | 48.1 Ų | 48.1 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | S | Bend | trans | -95.1 | 104.2 | 178.7 | -62.5 | 175.3 | 0 | 0 | 0 | 109.9 | L252 Q274 D275 Y283 W295 F339 F343 W346 | L252-L277 HydrophobicContact CD1-CD2 4.11Å; L252-L277 HydrophobicContact CD2-CD2 4.22Å; Q274-L277 PolarHBondContact O-N 2.94Å; D275-L277 VanDerWaalsContact C-N 3.28Å; L277-Y283 HydrophobicContact CD2-CD1 4.21Å; L277-Y283 HydrophobicContact CD2-CD2 3.73Å; L277-Y283 HydrophobicContact CD2-CE2 4.3Å; L277-Y283 HydrophobicContact CD2-CG 3.67Å; L277-W295 HydrophobicContact CB-CD2 4.45Å; L277-W295 HydrophobicContact CB-CE3 4.3Å; L277-W295 HydrophobicContact CB-CH2 3.9Å; L277-W295 HydrophobicContact CB-CZ2 4.13Å; L277-W295 HydrophobicContact CB-CZ3 4.02Å; L277-W295 HydrophobicContact CD1-CD2 4.04Å; L277-W295 HydrophobicContact CD1-CG 4.2Å; L277-W295 HydrophobicContact CD1-CZ2 4.31Å; L277-W295 HydrophobicContact CD2-CD2 4.18Å; L277-W295 HydrophobicContact CD2-CE3 4.14Å; L277-W295 HydrophobicContact CD2-CG 4.41Å; L277-W295 HydrophobicContact CG-CD2 4.47Å; L277-F339 HydrophobicContact CD1-CE1 3.99Å; L277-F339 HydrophobicContact CD1-CZ 4.07Å; L277-F343 HydrophobicContact CD1-CE1 3.89Å; L277-F343 HydrophobicContact CD1-CE2 4.33Å; L277-F343 HydrophobicContact CD1-CZ 3.62Å; L277-F343 HydrophobicContact CD2-CE1 4.49Å; L277-F343 HydrophobicContact CD2-CZ 4.28Å; L277-F343 HydrophobicContact CG-CE1 4.01Å; L277-F343 HydrophobicContact CG-CZ 4.07Å; L277-W346 HydrophobicContact CD1-CH2 3.64Å; L277-W346 HydrophobicContact CD1-CZ3 3.77Å |
| 278 | N | 83.6 | Confident | 76.7 | Confident | 67 Ų | 67 | 46.2 Ų | 46.2 | 36% | 0.358 | 24% | 0.243 | S | C | . | . | trans | -76.5 | 126 | 171.1 | -174.5 | 4.7 | 0 | 0 | 0 | 110.5 | D280 D281 Y283 W295 | N278-D280 PolarHBondContact O-N 3.25Å; N278-D280 PolarHBondContact OD1-N 2.94Å; N278-D281 HydrophobicContact CB-CB 4.29Å; N278-D281 WeakPolarHBondContact CB-OD2 3.37Å; N278-D281 PolarHBondContact ND2-OD2 2.91Å; N278-D281 PolarHBondContact O-N 3.21Å; N278-D281 VanDerWaalsContact O-N 3.08Å; N278-Y283 HydrophobicContact CB-CE2 4.28Å; N278-Y283 WeakPolarHBondContact CB-OH 3.42Å; N278-Y283 VanDerWaalsContact N-CE2 3.32Å; N278-Y283 PolarHBondContact N-OH 2.76Å; N278-W295 VanDerWaalsContact O-CZ3 3.24Å; N278-W295 WeakPolarHBondContact O-CZ3 3.42Å | ||
| 279 | H | 85.8 | Confident | 76.4 | Confident | 75 Ų | 75 | 45.8 Ų | 45.8 | 35% | 0.347 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -21.2 | 176.2 | -68.4 | -63 | 0 | 0 | 0 | 114.3 | G297 K298 G299 D332 | H279-G297 CarbonylContact O-C 3Å; H279-G297 WeakPolarHBondContact O-CA 3.47Å; H279-K298 HydrophobicContact CB-CD 4.37Å; H279-K298 HydrophobicContact CB-CG 4.08Å; H279-K298 PolarHBondContact O-N 2.94Å; H279-G299 WeakPolarHBondContact O-CA 3.41Å; H279-G299 PolarHBondContact O-N 2.8Å; H279-D332 IonicContact CE1-OD1 3.69Å; H279-D332 PolarHBondContact CE1-OD1 2.82Å; H279-D332 IonicContact CE1-OD2 2.97Å; H279-D332 IonicContact CG-OD2 3.72Å; H279-D332 VanDerWaalsContact ND1-CG 3.25Å; H279-D332 IonicContact ND1-OD1 3.79Å; H279-D332 PolarHBondContact ND1-OD1 2.81Å; H279-D332 VanDerWaalsContact ND1-OD1 3.12Å; H279-D332 IonicContact ND1-OD2 3.41Å; H279-D332 PolarHBondContact ND1-OD2 3.03Å |
| 280 | D | 83.3 | Confident | 76.1 | Confident | 98 Ų | 98 | 44.6 Ų | 44.6 | 52% | 0.524 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 0.3 | -179.7 | -61 | -37.7 | 0 | 0 | 0 | 114 | N278 G299 A300 | N278-D280 PolarHBondContact O-N 3.25Å; N278-D280 PolarHBondContact OD1-N 2.94Å; D280-G299 WeakPolarHBondContact OD1-CA 3.25Å; D280-A300 WeakPolarHBondContact O-CA 3.22Å; D280-A300 PolarHBondContact O-N 2.85Å |
| 281 | D | 83 | Confident | 77 | Confident | 35 Ų | 35 | 39 Ų | 39 | 19% | 0.187 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -130 | 167.9 | -170.2 | -71.3 | -71.3 | 0 | 0 | 0 | 113.5 | H254 N278 Y283 G297 | H254-D281 IonicContact CE1-OD1 3.6Å; H254-D281 IonicContact NE2-OD1 3.55Å; H254-D281 PolarHBondContact NE2-OD1 2.69Å; H254-D281 IonicContact NE2-OD2 2.62Å; N278-D281 HydrophobicContact CB-CB 4.29Å; N278-D281 WeakPolarHBondContact CB-OD2 3.37Å; N278-D281 PolarHBondContact ND2-OD2 2.91Å; N278-D281 PolarHBondContact O-N 3.21Å; N278-D281 VanDerWaalsContact O-N 3.08Å; D281-Y283 HydrophobicContact CB-CD2 4.48Å; D281-Y283 HydrophobicContact CB-CE2 3.7Å; D281-G297 VanDerWaalsContact O-CA 3.22Å; D281-G297 WeakPolarHBondContact O-CA 3.46Å; D281-G297 PolarHBondContact O-N 3.15Å |
| 282 | C | 85.2 | Confident | 78.4 | Confident | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.014 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 146.6 | 169.9 | -72 | 0 | 0 | 0 | 0 | 111.5 | V255 W295 | V255-C282 HydrophobicContact CB-CB 4.23Å; V255-C282 VanDerWaalsContact CB-O 3.29Å; V255-C282 WeakPolarHBondContact CB-O 3.45Å; V255-C282 PolarHBondContact N-O 3.3Å; C282-W295 CarbonylContact C-O 3.55Å; C282-W295 VanDerWaalsContact CA-O 3.28Å; C282-W295 WeakPolarHBondContact CA-O 3.4Å |
| 283 | Y | 88.1 | Confident | 79.1 | Confident | 14 Ų | 14 | 34.9 Ų | 34.9 | 6% | 0.055 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 149.1 | -178.5 | -64.9 | -96.7 | 0 | 0 | 0 | 111.9 | L252 Y253 H254 V267 L276 L277 N278 D281 V294 W295 | L252-Y283 HydrophobicContact CD1-CD1 4.35Å; L252-Y283 HydrophobicContact CD2-CD1 4.35Å; L252-Y283 HydrophobicContact CG-CD1 4.26Å; Y253-Y283 CarbonylContact O-C 3.52Å; Y253-Y283 VanDerWaalsContact O-CA 3.27Å; Y253-Y283 WeakPolarHBondContact O-CA 3.49Å; Y253-Y283 WeakPolarHBondContact O-CB 3.5Å; H254-Y283 HydrophobicContact CB-CD1 4.16Å; H254-Y283 HydrophobicContact CB-CE1 3.96Å; H254-Y283 AromaticContact CD2-CE1 3.72Å; H254-Y283 AromaticContact CD2-CZ 3.79Å; V267-Y283 HydrophobicContact CG2-CE1 4.34Å; L276-Y283 WeakPolarHBondContact O-CE1 3.3Å; L276-Y283 PolarHBondContact O-OH 3.39Å; L277-Y283 HydrophobicContact CD2-CD1 4.21Å; L277-Y283 HydrophobicContact CD2-CD2 3.73Å; L277-Y283 HydrophobicContact CD2-CE2 4.3Å; L277-Y283 HydrophobicContact CD2-CG 3.67Å; N278-Y283 HydrophobicContact CB-CE2 4.28Å; N278-Y283 WeakPolarHBondContact CB-OH 3.42Å; N278-Y283 VanDerWaalsContact N-CE2 3.32Å; N278-Y283 PolarHBondContact N-OH 2.76Å; D281-Y283 HydrophobicContact CB-CD2 4.48Å; D281-Y283 HydrophobicContact CB-CE2 3.7Å; Y283-V294 CarbonylContact O-C 3.55Å; Y283-V294 WeakPolarHBondContact O-CA 3.46Å; Y283-W295 AromaticContact CD2-CE3 3.71Å; Y283-W295 HydrophobicContact CD2-CE3 3.71Å; Y283-W295 AromaticContact CD2-CZ3 3.96Å; Y283-W295 HydrophobicContact CD2-CZ3 3.96Å; Y283-W295 HydrophobicContact CE2-CE3 4.33Å; Y283-W295 HydrophobicContact CE2-CZ3 4.11Å; Y283-W295 PolarHBondContact N-O 2.81Å; Y283-W295 PolarHBondContact O-N 3.49Å |
| 284 | I | 88.4 | Confident | 79.6 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 122.8 | 170.6 | -69.5 | 169.6 | 0 | 0 | 0 | 108 | Y253 V255 I292 Y293 F315 | Y253-I284 PolarHBondContact N-O 2.72Å; Y253-I284 PolarHBondContact O-N 3.09Å; V255-I284 HydrophobicContact CG2-CB 4.41Å; V255-I284 HydrophobicContact CG2-CD1 3.77Å; V255-I284 HydrophobicContact CG2-CG1 3.67Å; I284-I292 HydrophobicContact CG2-CG2 3.76Å; I284-Y293 CarbonylContact C-O 3.51Å; I284-Y293 WeakPolarHBondContact CA-O 3.47Å; I284-F315 HydrophobicContact CD1-CB 3.99Å; I284-F315 HydrophobicContact CD1-CD2 4.38Å; I284-F315 HydrophobicContact CD1-CG 4.17Å; I284-F315 HydrophobicContact CG2-CD1 4.04Å; I284-F315 HydrophobicContact CG2-CE1 4.08Å; I284-F315 HydrophobicContact CG2-CG 4.31Å; I284-F315 HydrophobicContact CG2-CZ 4.38Å |
| 285 | L | 84.2 | Confident | 80.2 | Confident | 2 Ų | 2 | 31.1 Ų | 31.1 | 1% | 0.01 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 114.7 | 172.3 | -171.7 | 159.6 | 0 | 0 | 0 | 108.5 | I250 M251 L252 L272 Q287 Y293 F339 L342 F343 | I250-L285 HydrophobicContact CG2-CD2 3.55Å; I250-L285 HydrophobicContact CG2-CG 4.01Å; M251-L285 WeakPolarHBondContact O-CA 3.45Å; L252-L285 HydrophobicContact CD1-CB 3.99Å; L252-L285 HydrophobicContact CD1-CD1 4.35Å; L252-L285 HydrophobicContact CD1-CG 4.4Å; L272-L285 HydrophobicContact CD1-CD1 3.66Å; L272-L285 HydrophobicContact CD1-CG 4.24Å; L285-Q287 HydrophobicContact CD2-CG 4.07Å; L285-Y293 HydrophobicContact CD2-CD2 3.98Å; L285-Y293 PolarHBondContact N-O 3.46Å; L285-Y293 PolarHBondContact O-N 3.3Å; L285-F339 HydrophobicContact CD1-CE2 4.32Å; L285-L342 HydrophobicContact CD1-CB 4.09Å; L285-L342 HydrophobicContact CD1-CD1 4.08Å; L285-L342 HydrophobicContact CD2-CD1 3.49Å; L285-L342 VanDerWaalsContact CD2-CD1 3.49Å; L285-L342 HydrophobicContact CG-CD1 4.46Å; L285-F343 HydrophobicContact CD1-CE2 3.78Å; L285-F343 HydrophobicContact CD1-CZ 3.75Å |
| 286 | D | 83.3 | Confident | 80.4 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.011 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 121.6 | -174 | 177.5 | 13 | 0 | 0 | 0 | 110.4 | I250 M251 Y253 S288 G289 I292 F315 Y321 | I250-D286 WeakPolarHBondContact CA-O 3.14Å; M251-D286 HydrophobicContact CB-CB 4.42Å; M251-D286 PolarHBondContact N-O 3.28Å; M251-D286 PolarHBondContact O-N 2.72Å; Y253-D286 HydrophobicContact CD2-CB 4.25Å; Y253-D286 HydrophobicContact CE2-CB 3.71Å; D286-S288 VanDerWaalsContact C-N 3.33Å; D286-S288 PolarHBondContact O-N 3.24Å; D286-S288 WeakPolarHBondContact OD1-CA 3.16Å; D286-S288 PolarHBondContact OD1-N 2.76Å; D286-G289 PolarHBondContact OD1-N 2.78Å; D286-I292 HydrophobicContact CB-CD1 3.97Å; D286-I292 VanDerWaalsContact OD1-CD1 3.26Å; D286-I292 WeakPolarHBondContact OD1-CD1 3.49Å; D286-F315 HydrophobicContact CB-CE1 3.99Å; D286-F315 HydrophobicContact CB-CZ 4.11Å; D286-Y321 PolarHBondContact OD2-OH 3.32Å; D286-Y321 VanDerWaalsContact OD2-OH 3.13Å |
| 287 | Q | 71.6 | Confident | 80.4 | Confident | 40 Ų | 40 | 22.2 Ų | 22.2 | 19% | 0.187 | 12% | 0.117 | C | C | . | . | S | Bend | trans | -97.9 | 52.5 | 170.4 | -57.3 | -164.2 | -69 | 0 | 0 | 111.2 | I250 L285 G289 T290 K291 Y293 L342 | I250-Q287 HydrophobicContact CD1-CG 4.35Å; I250-Q287 HydrophobicContact CG1-CG 4.37Å; L285-Q287 HydrophobicContact CD2-CG 4.07Å; Q287-G289 VanDerWaalsContact C-N 3.26Å; Q287-G289 PolarHBondContact O-N 2.62Å; Q287-T290 WeakPolarHBondContact CB-OG1 3.28Å; Q287-T290 PolarHBondContact O-N 3.21Å; Q287-T290 PolarHBondContact O-OG1 2.93Å; Q287-K291 WeakPolarHBondContact CB-O 3.49Å; Q287-K291 PolarHBondContact N-O 3.17Å; Q287-Y293 HydrophobicContact CG-CE2 4.31Å; Q287-L342 VanDerWaalsContact NE2-CD2 3.33Å |
| 288 | S | 66.1 | Low | 80.2 | Confident | 17 Ų | 17 | 28.3 Ų | 28.3 | 12% | 0.119 | 14% | 0.143 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 52.8 | 40.9 | 178.8 | -64.5 | 0 | 0 | 0 | 0 | 113.6 | Q246 N249 D286 T290 | Q246-S288 WeakPolarHBondContact O-CB 3.28Å; Q246-S288 PolarHBondContact O-OG 2.86Å; N249-S288 WeakPolarHBondContact CB-OG 3.14Å; N249-S288 PolarHBondContact O-N 2.84Å; N249-S288 PolarHBondContact O-OG 2.86Å; D286-S288 VanDerWaalsContact C-N 3.33Å; D286-S288 PolarHBondContact O-N 3.24Å; D286-S288 WeakPolarHBondContact OD1-CA 3.16Å; D286-S288 PolarHBondContact OD1-N 2.76Å; S288-T290 VanDerWaalsContact C-N 3.25Å; S288-T290 PolarHBondContact O-N 3Å |
| 289 | G | 61.5 | Low | 79.9 | Confident | 9 Ų | 9 | 27 Ų | 27 | 9% | 0.093 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 2.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | D286 Q287 T325 | D286-G289 PolarHBondContact OD1-N 2.78Å; Q287-G289 VanDerWaalsContact C-N 3.26Å; Q287-G289 PolarHBondContact O-N 2.62Å; G289-T325 VanDerWaalsContact O-CG2 3.22Å; G289-T325 WeakPolarHBondContact O-CG2 3.48Å; G289-T325 PolarHBondContact O-OG1 3.24Å |
| 290 | T | 61.3 | Low | 79.7 | Confident | 46 Ų | 46 | 23.8 Ų | 23.8 | 28% | 0.282 | 13% | 0.132 | S | C | . | . | S | Bend | trans | -79.3 | -38.7 | 171.6 | 61.9 | 0 | 0 | 0 | 0 | 112 | K247 Q287 S288 | K247-T290 HydrophobicContact CG-CG2 4.21Å; Q287-T290 WeakPolarHBondContact CB-OG1 3.28Å; Q287-T290 PolarHBondContact O-N 3.21Å; Q287-T290 PolarHBondContact O-OG1 2.93Å; S288-T290 VanDerWaalsContact C-N 3.25Å; S288-T290 PolarHBondContact O-N 3Å |
| 291 | K | 71.4 | Confident | 79.4 | Confident | 31 Ų | 31 | 22.4 Ų | 22.4 | 14% | 0.135 | 13% | 0.127 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 141.1 | 173.8 | -171.1 | 167.9 | 178 | -172.3 | 0 | 110 | Q287 Y293 N326 E328 | Q287-K291 WeakPolarHBondContact CB-O 3.49Å; Q287-K291 PolarHBondContact N-O 3.17Å; K291-Y293 HydrophobicContact CB-CE2 4.5Å; K291-Y293 HydrophobicContact CD-CE1 4.38Å; K291-Y293 HydrophobicContact CD-CE2 3.96Å; K291-Y293 WeakPolarHBondContact CD-OH 3.49Å; K291-Y293 WeakPolarHBondContact CE-OH 3.42Å; K291-Y293 HydrophobicContact CG-CE2 4Å; K291-Y293 PolarHBondContact NZ-OH 3.32Å; K291-N326 HydrophobicContact CG-CB 4.35Å; K291-E328 VanDerWaalsContact CE-OE2 3.28Å; K291-E328 WeakPolarHBondContact CE-OE2 3.45Å; K291-E328 IonicContact NZ-OE2 2.82Å; K291-E328 PolarHBondContact NZ-OE2 3.03Å |
| 292 | I | 84.2 | Confident | 78.9 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 129.9 | 175.3 | -57.4 | -59.4 | 0 | 0 | 0 | 108.6 | I284 D286 V294 A312 F315 I316 T325 N326 V327 E328 | I284-I292 HydrophobicContact CG2-CG2 3.76Å; D286-I292 HydrophobicContact CB-CD1 3.97Å; D286-I292 VanDerWaalsContact OD1-CD1 3.26Å; D286-I292 WeakPolarHBondContact OD1-CD1 3.49Å; I292-V294 HydrophobicContact CG2-CG2 4.5Å; I292-A312 HydrophobicContact CG2-CB 4.32Å; I292-F315 HydrophobicContact CD1-CD1 4.29Å; I292-F315 HydrophobicContact CD1-CE1 4.02Å; I292-I316 HydrophobicContact CG1-CD1 4.23Å; I292-I316 HydrophobicContact CG1-CG1 4.03Å; I292-T325 HydrophobicContact CG1-CG2 3.85Å; I292-N326 PolarHBondContact N-O 3.27Å; I292-V327 HydrophobicContact CB-CG2 4.37Å; I292-V327 CarbonylContact O-C 3.59Å; I292-V327 VanDerWaalsContact O-CA 3.31Å; I292-V327 WeakPolarHBondContact O-CA 3.38Å; I292-E328 PolarHBondContact O-N 2.57Å |
| 293 | Y | 82.5 | Confident | 78.4 | Confident | 3 Ų | 3 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 143.6 | 168.4 | -60.2 | -98.3 | 0 | 0 | 0 | 110 | I284 L285 Q287 K291 E328 V330 F339 L342 | I284-Y293 CarbonylContact C-O 3.51Å; I284-Y293 WeakPolarHBondContact CA-O 3.47Å; L285-Y293 HydrophobicContact CD2-CD2 3.98Å; L285-Y293 PolarHBondContact N-O 3.46Å; L285-Y293 PolarHBondContact O-N 3.3Å; Q287-Y293 HydrophobicContact CG-CE2 4.31Å; K291-Y293 HydrophobicContact CB-CE2 4.5Å; K291-Y293 HydrophobicContact CD-CE1 4.38Å; K291-Y293 HydrophobicContact CD-CE2 3.96Å; K291-Y293 WeakPolarHBondContact CD-OH 3.49Å; K291-Y293 WeakPolarHBondContact CE-OH 3.42Å; K291-Y293 HydrophobicContact CG-CE2 4Å; K291-Y293 PolarHBondContact NZ-OH 3.32Å; Y293-E328 CarbonylContact C-O 3.51Å; Y293-E328 VanDerWaalsContact CA-O 3.25Å; Y293-E328 WeakPolarHBondContact CA-O 3.23Å; Y293-E328 HydrophobicContact CD1-CB 3.84Å; Y293-E328 HydrophobicContact CD1-CG 4.07Å; Y293-E328 HydrophobicContact CE1-CB 4.14Å; Y293-E328 HydrophobicContact CE1-CG 4.27Å; Y293-E328 VanDerWaalsContact CE1-OE2 3.3Å; Y293-E328 WeakPolarHBondContact CE1-OE2 3.22Å; Y293-V330 HydrophobicContact CD1-CG2 4.29Å; Y293-F339 HydrophobicContact CD1-CB 4.32Å; Y293-F339 AromaticContact CD1-CD2 3.71Å; Y293-F339 HydrophobicContact CD1-CD2 3.71Å; Y293-F339 HydrophobicContact CE1-CB 4.34Å; Y293-F339 HydrophobicContact CE1-CD2 4.46Å; Y293-F339 AromaticContact CG-CD2 3.8Å; Y293-F339 HydrophobicContact CG-CD2 3.8Å; Y293-F339 HydrophobicContact CG-CE2 4.37Å; Y293-L342 HydrophobicContact CD2-CD1 3.83Å; Y293-L342 HydrophobicContact CE2-CD1 3.53Å |
| 294 | V | 88.4 | Confident | 77.7 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 106.5 | 175.4 | -170.8 | 0 | 0 | 0 | 0 | 108.1 | Y283 I292 A308 A312 V327 E328 T329 V330 | Y283-V294 CarbonylContact O-C 3.55Å; Y283-V294 WeakPolarHBondContact O-CA 3.46Å; I292-V294 HydrophobicContact CG2-CG2 4.5Å; V294-A308 HydrophobicContact CG1-CB 3.72Å; V294-A312 HydrophobicContact CG2-CB 3.42Å; V294-A312 VanDerWaalsContact CG2-CB 3.42Å; V294-V327 HydrophobicContact CG2-CG1 3.84Å; V294-E328 PolarHBondContact N-O 2.77Å; V294-T329 HydrophobicContact CB-CG2 3.96Å; V294-T329 HydrophobicContact CG1-CG2 4.22Å; V294-T329 CarbonylContact O-C 3.57Å; V294-T329 WeakPolarHBondContact O-CA 3.44Å; V294-V330 PolarHBondContact O-N 3.01Å |
| 295 | W | 87 | Confident | 77 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 127.6 | 179.5 | -173.7 | 91.5 | 0 | 0 | 0 | 109.9 | L277 N278 C282 Y283 V330 D332 E335 F339 | L277-W295 HydrophobicContact CB-CD2 4.45Å; L277-W295 HydrophobicContact CB-CE3 4.3Å; L277-W295 HydrophobicContact CB-CH2 3.9Å; L277-W295 HydrophobicContact CB-CZ2 4.13Å; L277-W295 HydrophobicContact CB-CZ3 4.02Å; L277-W295 HydrophobicContact CD1-CD2 4.04Å; L277-W295 HydrophobicContact CD1-CG 4.2Å; L277-W295 HydrophobicContact CD1-CZ2 4.31Å; L277-W295 HydrophobicContact CD2-CD2 4.18Å; L277-W295 HydrophobicContact CD2-CE3 4.14Å; L277-W295 HydrophobicContact CD2-CG 4.41Å; L277-W295 HydrophobicContact CG-CD2 4.47Å; N278-W295 VanDerWaalsContact O-CZ3 3.24Å; N278-W295 WeakPolarHBondContact O-CZ3 3.42Å; C282-W295 CarbonylContact C-O 3.55Å; C282-W295 VanDerWaalsContact CA-O 3.28Å; C282-W295 WeakPolarHBondContact CA-O 3.4Å; Y283-W295 AromaticContact CD2-CE3 3.71Å; Y283-W295 HydrophobicContact CD2-CE3 3.71Å; Y283-W295 AromaticContact CD2-CZ3 3.96Å; Y283-W295 HydrophobicContact CD2-CZ3 3.96Å; Y283-W295 HydrophobicContact CE2-CE3 4.33Å; Y283-W295 HydrophobicContact CE2-CZ3 4.11Å; Y283-W295 PolarHBondContact N-O 2.81Å; Y283-W295 PolarHBondContact O-N 3.49Å; W295-V330 CarbonylContact C-O 3.57Å; W295-V330 WeakPolarHBondContact CA-O 3.29Å; W295-D332 HydrophobicContact CH2-CB 3.9Å; W295-D332 HydrophobicContact CZ2-CB 3.44Å; W295-D332 VanDerWaalsContact CZ2-CB 3.44Å; W295-D332 WeakPolarHBondContact CZ2-OD1 3.32Å; W295-E335 PolarHBondContact NE1-OE1 3.33Å; W295-F339 HydrophobicContact CB-CE2 4.05Å; W295-F339 HydrophobicContact CB-CZ 3.64Å; W295-F339 AromaticContact CD1-CE1 3.47Å; W295-F339 VanDerWaalsContact CD1-CE1 3.47Å; W295-F339 AromaticContact CD1-CZ 3.43Å; W295-F339 VanDerWaalsContact CD1-CZ 3.43Å; W295-F339 HydrophobicContact CG-CE1 4.2Å; W295-F339 AromaticContact CG-CZ 3.73Å; W295-F339 HydrophobicContact CG-CZ 3.73Å |
| 296 | K | 84.3 | Confident | 76.4 | Confident | 7 Ų | 7 | 37.7 Ų | 37.7 | 3% | 0.03 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 105.3 | -175.8 | -65.9 | -177.7 | -70.3 | 169.5 | 0 | 110 | D83 K305 A308 T329 V330 N331 D332 | D83-K296 IonicContact OD2-NZ 3.12Å; K296-K305 HydrophobicContact CB-CG 4.32Å; K296-K305 HydrophobicContact CD-CB 4.16Å; K296-K305 HydrophobicContact CD-CG 4.32Å; K296-A308 HydrophobicContact CD-CB 4.14Å; K296-A308 HydrophobicContact CG-CB 4.12Å; K296-T329 HydrophobicContact CD-CG2 3.61Å; K296-T329 HydrophobicContact CG-CG2 3.9Å; K296-V330 PolarHBondContact N-O 2.9Å; K296-N331 WeakPolarHBondContact CE-OD1 3.47Å; K296-N331 PolarHBondContact NZ-OD1 3.22Å; K296-D332 WeakPolarHBondContact O-CB 3.48Å; K296-D332 PolarHBondContact O-N 3.01Å |
| 297 | G | 81.9 | Confident | 76 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -57.1 | 142.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | H279 D281 G299 A300 K305 | H279-G297 CarbonylContact O-C 3Å; H279-G297 WeakPolarHBondContact O-CA 3.47Å; D281-G297 VanDerWaalsContact O-CA 3.22Å; D281-G297 WeakPolarHBondContact O-CA 3.46Å; D281-G297 PolarHBondContact O-N 3.15Å; G297-G299 VanDerWaalsContact C-N 3.27Å; G297-G299 PolarHBondContact O-N 3.29Å; G297-A300 VanDerWaalsContact O-CB 3.28Å; G297-A300 WeakPolarHBondContact O-CB 3.18Å; G297-A300 PolarHBondContact O-N 3.01Å; G297-A300 VanDerWaalsContact O-N 3.09Å; G297-K305 WeakPolarHBondContact O-CE 3.29Å; G297-K305 PolarHBondContact O-NZ 3.12Å | ||
| 298 | K | 79.8 | Confident | 76.2 | Confident | 139 Ų | 139 | 37.4 Ų | 37.4 | 60% | 0.604 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -35.6 | -179.3 | 69.8 | -166 | 176.4 | -169.9 | 0 | 112.7 | H279 K305 D332 | H279-K298 HydrophobicContact CB-CD 4.37Å; H279-K298 HydrophobicContact CB-CG 4.08Å; H279-K298 PolarHBondContact O-N 2.94Å; K298-K305 PolarHBondContact O-NZ 2.78Å; K298-D332 HydrophobicContact CB-CB 4.14Å; K298-D332 WeakPolarHBondContact CB-OD2 3.42Å; K298-D332 VanDerWaalsContact CG-OD2 3.23Å; K298-D332 WeakPolarHBondContact CG-OD2 3.23Å; K298-D332 VanDerWaalsContact N-CB 3.33Å; K298-D332 PolarHBondContact N-OD2 2.85Å |
| 299 | G | 76.6 | Confident | 76.9 | Confident | 40 Ų | 40 | 37.5 Ų | 37.5 | 41% | 0.412 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -8.6 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | H279 D280 G297 | H279-G299 WeakPolarHBondContact O-CA 3.41Å; H279-G299 PolarHBondContact O-N 2.8Å; D280-G299 WeakPolarHBondContact OD1-CA 3.25Å; G297-G299 VanDerWaalsContact C-N 3.27Å; G297-G299 PolarHBondContact O-N 3.29Å |
| 300 | A | 80.9 | Confident | 77.7 | Confident | 7 Ų | 7 | 41 Ų | 41 | 6% | 0.058 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -60.2 | 146.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D280 G297 K305 | D280-A300 WeakPolarHBondContact O-CA 3.22Å; D280-A300 PolarHBondContact O-N 2.85Å; G297-A300 VanDerWaalsContact O-CB 3.28Å; G297-A300 WeakPolarHBondContact O-CB 3.18Å; G297-A300 PolarHBondContact O-N 3.01Å; G297-A300 VanDerWaalsContact O-N 3.09Å; A300-K305 HydrophobicContact CB-CG 4.29Å; A300-K305 WeakPolarHBondContact O-CE 3.48Å |
| 301 | T | 78.5 | Confident | 78.6 | Confident | 69 Ų | 69 | 40.1 Ų | 40.1 | 42% | 0.423 | 23% | 0.225 | S | C | . | . | trans | -66 | 151.6 | -173.8 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | A303 E304 K305 | T301-A303 PolarHBondContact O-N 3.1Å; T301-E304 WeakPolarHBondContact CB-OE2 3.22Å; T301-E304 WeakPolarHBondContact CG2-OE2 3.29Å; T301-E304 PolarHBondContact N-OE2 2.95Å; T301-E304 PolarHBondContact O-N 3.34Å; T301-E304 VanDerWaalsContact O-N 3.09Å; T301-E304 WeakPolarHBondContact OG1-CB 3.46Å; T301-E304 VanDerWaalsContact OG1-CD 3.28Å; T301-E304 WeakPolarHBondContact OG1-CG 3.2Å; T301-E304 PolarHBondContact OG1-N 3.39Å; T301-E304 PolarHBondContact OG1-OE2 3.39Å; T301-K305 PolarHBondContact O-N 2.94Å | ||
| 302 | K | 72.4 | Confident | 79.1 | Confident | 141 Ų | 141 | 38.7 Ų | 38.7 | 61% | 0.613 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -57.3 | -36.8 | 177.5 | -172.4 | 172.9 | -179 | 173.2 | 0 | 112 | Q306 | K302-Q306 WeakPolarHBondContact O-CB 3.36Å; K302-Q306 VanDerWaalsContact O-CG 3.3Å; K302-Q306 WeakPolarHBondContact O-CG 3.39Å; K302-Q306 PolarHBondContact O-N 3.23Å |
| 303 | A | 74.2 | Confident | 79.1 | Confident | 69 Ų | 69 | 41.8 Ų | 41.8 | 57% | 0.57 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -65.1 | -40.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | T301 A307 | T301-A303 PolarHBondContact O-N 3.1Å; A303-A307 VanDerWaalsContact O-CB 3.24Å; A303-A307 WeakPolarHBondContact O-CB 3.4Å; A303-A307 PolarHBondContact O-N 2.82Å |
| 304 | E | 73.4 | Confident | 79.1 | Confident | 14 Ų | 14 | 43.1 Ų | 43.1 | 7% | 0.065 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -68.1 | -43 | 176.3 | -73.1 | 168.1 | 124.7 | 0 | 0 | 112.6 | D257 T301 Q306 A307 A308 | D257-E304 HydrophobicContact CB-CG 4.37Å; D257-E304 WeakPolarHBondContact CB-OE1 3.5Å; T301-E304 WeakPolarHBondContact CB-OE2 3.22Å; T301-E304 WeakPolarHBondContact CG2-OE2 3.29Å; T301-E304 PolarHBondContact N-OE2 2.95Å; T301-E304 PolarHBondContact O-N 3.34Å; T301-E304 VanDerWaalsContact O-N 3.09Å; T301-E304 WeakPolarHBondContact OG1-CB 3.46Å; T301-E304 VanDerWaalsContact OG1-CD 3.28Å; T301-E304 WeakPolarHBondContact OG1-CG 3.2Å; T301-E304 PolarHBondContact OG1-N 3.39Å; T301-E304 PolarHBondContact OG1-OE2 3.39Å; E304-Q306 VanDerWaalsContact C-N 3.31Å; E304-Q306 PolarHBondContact O-N 2.67Å; E304-A307 PolarHBondContact O-N 2.94Å; E304-A308 PolarHBondContact O-N 3.35Å |
| 305 | K | 74 | Confident | 78.8 | Confident | 63 Ų | 63 | 43.1 Ų | 43.1 | 27% | 0.274 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -60.3 | -41.3 | 176.6 | -69.9 | -179.5 | 178.6 | 173 | 0 | 111.8 | K296 G297 K298 A300 T301 A308 | K296-K305 HydrophobicContact CB-CG 4.32Å; K296-K305 HydrophobicContact CD-CB 4.16Å; K296-K305 HydrophobicContact CD-CG 4.32Å; G297-K305 WeakPolarHBondContact O-CE 3.29Å; G297-K305 PolarHBondContact O-NZ 3.12Å; K298-K305 PolarHBondContact O-NZ 2.78Å; A300-K305 HydrophobicContact CB-CG 4.29Å; A300-K305 WeakPolarHBondContact O-CE 3.48Å; T301-K305 PolarHBondContact O-N 2.94Å; K305-A308 WeakPolarHBondContact O-CB 3.13Å |
| 306 | Q | 71.4 | Confident | 78.6 | Confident | 88 Ų | 88 | 43.3 Ų | 43.3 | 41% | 0.411 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -71.8 | -33.1 | 176.5 | -72.9 | -179.5 | -23.9 | 0 | 0 | 112.7 | K302 E304 A308 | K302-Q306 WeakPolarHBondContact O-CB 3.36Å; K302-Q306 VanDerWaalsContact O-CG 3.3Å; K302-Q306 WeakPolarHBondContact O-CG 3.39Å; K302-Q306 PolarHBondContact O-N 3.23Å; E304-Q306 VanDerWaalsContact C-N 3.31Å; E304-Q306 PolarHBondContact O-N 2.67Å; Q306-A308 VanDerWaalsContact C-N 3.33Å |
| 307 | A | 75 | Confident | 78.5 | Confident | 34 Ų | 34 | 51.8 Ų | 51.8 | 28% | 0.281 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -80.3 | -13.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A303 E304 M309 S310 K311 | A303-A307 VanDerWaalsContact O-CB 3.24Å; A303-A307 WeakPolarHBondContact O-CB 3.4Å; A303-A307 PolarHBondContact O-N 2.82Å; E304-A307 PolarHBondContact O-N 2.94Å; A307-M309 PolarHBondContact O-N 3.06Å; A307-S310 PolarHBondContact O-N 3.01Å; A307-S310 VanDerWaalsContact O-N 3.13Å; A307-K311 HydrophobicContact CB-CD 4.47Å; A307-K311 HydrophobicContact CB-CG 4.31Å; A307-K311 WeakPolarHBondContact O-CB 3.33Å; A307-K311 WeakPolarHBondContact O-CG 3.22Å; A307-K311 PolarHBondContact O-N 3.01Å |
| 308 | A | 76.2 | Confident | 78.5 | Confident | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.025 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -54.6 | -46.8 | -168.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | V294 K296 E304 K305 Q306 K311 A312 | V294-A308 HydrophobicContact CG1-CB 3.72Å; K296-A308 HydrophobicContact CD-CB 4.14Å; K296-A308 HydrophobicContact CG-CB 4.12Å; E304-A308 PolarHBondContact O-N 3.35Å; K305-A308 WeakPolarHBondContact O-CB 3.13Å; Q306-A308 VanDerWaalsContact C-N 3.33Å; A308-K311 PolarHBondContact O-N 3.36Å; A308-A312 PolarHBondContact O-N 3.27Å |
| 309 | M | 79.6 | Confident | 78.5 | Confident | 19 Ų | 19 | 54.9 Ų | 54.9 | 9% | 0.094 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 177.1 | -174.9 | 66.9 | 73.9 | 0 | 0 | 111.7 | F61 Q92 A307 K311 A312 L313 V327 T329 | F61-M309 HydrophobicContact CE1-CE 4.01Å; F61-M309 HydrophobicContact CZ-CE 4.47Å; F61-M309 HydrophobicContact CZ-SD 4.48Å; Q92-M309 HydrophobicContact CB-CE 4.31Å; A307-M309 PolarHBondContact O-N 3.06Å; M309-K311 VanDerWaalsContact C-N 3.28Å; M309-K311 PolarHBondContact O-N 3.17Å; M309-A312 PolarHBondContact O-N 3.16Å; M309-A312 VanDerWaalsContact O-N 3.15Å; M309-L313 WeakPolarHBondContact O-CG 3.31Å; M309-L313 PolarHBondContact O-N 3.5Å; M309-V327 HydrophobicContact SD-CB 4.13Å; M309-V327 HydrophobicContact SD-CG1 3.77Å; M309-T329 WeakPolarHBondContact CE-OG1 3.43Å |
| 310 | S | 78.6 | Confident | 78.5 | Confident | 81 Ų | 81 | 56.1 Ų | 56.1 | 57% | 0.566 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -62.1 | -36.8 | 177.8 | -60.9 | 0 | 0 | 0 | 0 | 112.2 | A307 L313 G314 | A307-S310 PolarHBondContact O-N 3.01Å; A307-S310 VanDerWaalsContact O-N 3.13Å; S310-L313 PolarHBondContact O-N 3Å; S310-G314 PolarHBondContact O-N 3.19Å |
| 311 | K | 79.4 | Confident | 78.4 | Confident | 29 Ų | 29 | 58 Ų | 58 | 13% | 0.126 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.7 | -40.4 | 174.9 | -71.8 | -166.7 | 178.2 | -174.8 | 0 | 111.4 | V255 S256 L262 A307 A308 M309 G314 F315 | V255-K311 HydrophobicContact CG1-CD 3.22Å; V255-K311 HydrophobicContact CG1-CG 4.47Å; S256-K311 PolarHBondContact O-NZ 2.87Å; L262-K311 HydrophobicContact CD1-CB 4.48Å; L262-K311 HydrophobicContact CD1-CG 4.09Å; L262-K311 HydrophobicContact CD2-CB 3.81Å; L262-K311 HydrophobicContact CD2-CD 3.76Å; L262-K311 HydrophobicContact CD2-CG 3.67Å; L262-K311 HydrophobicContact CG-CD 4.35Å; L262-K311 HydrophobicContact CG-CG 4.09Å; A307-K311 HydrophobicContact CB-CD 4.47Å; A307-K311 HydrophobicContact CB-CG 4.31Å; A307-K311 WeakPolarHBondContact O-CB 3.33Å; A307-K311 WeakPolarHBondContact O-CG 3.22Å; A307-K311 PolarHBondContact O-N 3.01Å; A308-K311 PolarHBondContact O-N 3.36Å; M309-K311 VanDerWaalsContact C-N 3.28Å; M309-K311 PolarHBondContact O-N 3.17Å; K311-G314 PolarHBondContact O-N 2.69Å; K311-F315 WeakPolarHBondContact O-CB 3.09Å; K311-F315 PolarHBondContact O-N 3.34Å |
| 312 | A | 83.2 | Confident | 78.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -67.1 | -38.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | I292 V294 A308 M309 F315 I316 V327 | I292-A312 HydrophobicContact CG2-CB 4.32Å; V294-A312 HydrophobicContact CG2-CB 3.42Å; V294-A312 VanDerWaalsContact CG2-CB 3.42Å; A308-A312 PolarHBondContact O-N 3.27Å; M309-A312 PolarHBondContact O-N 3.16Å; M309-A312 VanDerWaalsContact O-N 3.15Å; A312-F315 WeakPolarHBondContact O-CB 3.33Å; A312-F315 PolarHBondContact O-N 2.88Å; A312-I316 WeakPolarHBondContact O-CG1 2.99Å; A312-I316 PolarHBondContact O-N 2.53Å; A312-V327 HydrophobicContact CB-CG1 3.84Å |
| 313 | L | 82.8 | Confident | 78.1 | Confident | 66 Ų | 66 | 56.3 Ų | 56.3 | 35% | 0.346 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -64.9 | -40.1 | 173.1 | -65.1 | 176.3 | 0 | 0 | 0 | 111.8 | M309 S310 F315 I316 K317 V327 | M309-L313 WeakPolarHBondContact O-CG 3.31Å; M309-L313 PolarHBondContact O-N 3.5Å; S310-L313 PolarHBondContact O-N 3Å; L313-F315 VanDerWaalsContact C-N 3.32Å; L313-I316 HydrophobicContact CD2-CD1 4.47Å; L313-I316 PolarHBondContact O-N 3.34Å; L313-K317 PolarHBondContact O-N 2.92Å; L313-V327 HydrophobicContact CD2-CG2 4.47Å |
| 314 | G | 82.5 | Confident | 78 | Confident | 31 Ų | 31 | 54.3 Ų | 54.3 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61 | -41.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | S310 K311 K317 M318 | S310-G314 PolarHBondContact O-N 3.19Å; K311-G314 PolarHBondContact O-N 2.69Å; G314-K317 PolarHBondContact O-N 2.9Å; G314-M318 WeakPolarHBondContact O-CB 3.23Å; G314-M318 PolarHBondContact O-N 3.19Å |
| 315 | F | 83.7 | Confident | 78 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.009 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 176.3 | 179.1 | -93.7 | 0 | 0 | 0 | 112.7 | Y253 V264 I284 D286 I292 K311 A312 L313 K317 M318 K319 Y321 | Y253-F315 HydrophobicContact CD1-CE2 4.28Å; Y253-F315 AromaticContact CD2-CE2 3.97Å; Y253-F315 HydrophobicContact CD2-CE2 3.97Å; Y253-F315 AromaticContact CD2-CZ 3.79Å; Y253-F315 HydrophobicContact CD2-CZ 3.79Å; Y253-F315 HydrophobicContact CE1-CE2 4.23Å; Y253-F315 HydrophobicContact CE1-CZ 4.47Å; Y253-F315 AromaticContact CE2-CE2 3.92Å; Y253-F315 HydrophobicContact CE2-CE2 3.92Å; Y253-F315 AromaticContact CE2-CZ 3.45Å; Y253-F315 HydrophobicContact CE2-CZ 3.45Å; Y253-F315 VanDerWaalsContact CE2-CZ 3.45Å; Y253-F315 HydrophobicContact CG-CE2 4.15Å; Y253-F315 HydrophobicContact CG-CZ 4.43Å; Y253-F315 AromaticContact CZ-CZ 3.83Å; V264-F315 HydrophobicContact CB-CD2 4.43Å; V264-F315 HydrophobicContact CG1-CD2 3.84Å; V264-F315 HydrophobicContact CG1-CE2 3.83Å; V264-F315 HydrophobicContact CG2-CD2 4.28Å; I284-F315 HydrophobicContact CD1-CB 3.99Å; I284-F315 HydrophobicContact CD1-CD2 4.38Å; I284-F315 HydrophobicContact CD1-CG 4.17Å; I284-F315 HydrophobicContact CG2-CD1 4.04Å; I284-F315 HydrophobicContact CG2-CE1 4.08Å; I284-F315 HydrophobicContact CG2-CG 4.31Å; I284-F315 HydrophobicContact CG2-CZ 4.38Å; D286-F315 HydrophobicContact CB-CE1 3.99Å; D286-F315 HydrophobicContact CB-CZ 4.11Å; I292-F315 HydrophobicContact CD1-CD1 4.29Å; I292-F315 HydrophobicContact CD1-CE1 4.02Å; K311-F315 WeakPolarHBondContact O-CB 3.09Å; K311-F315 PolarHBondContact O-N 3.34Å; A312-F315 WeakPolarHBondContact O-CB 3.33Å; A312-F315 PolarHBondContact O-N 2.88Å; L313-F315 VanDerWaalsContact C-N 3.32Å; F315-K317 VanDerWaalsContact C-N 3.31Å; F315-K317 PolarHBondContact O-N 3.08Å; F315-M318 HydrophobicContact CD2-CE 3.58Å; F315-M318 HydrophobicContact CE2-CE 4.19Å; F315-M318 HydrophobicContact CG-CE 4.39Å; F315-M318 PolarHBondContact O-N 3.26Å; F315-K319 HydrophobicContact CD1-CG 4.29Å; F315-K319 HydrophobicContact CD2-CG 4.41Å; F315-K319 HydrophobicContact CE1-CG 3.84Å; F315-K319 HydrophobicContact CE2-CD 4.46Å; F315-K319 HydrophobicContact CE2-CG 3.98Å; F315-K319 HydrophobicContact CZ-CD 4.23Å; F315-K319 VanDerWaalsContact CZ-CE 3.49Å; F315-K319 HydrophobicContact CZ-CG 3.68Å; F315-K319 PolarHBondContact O-N 2.67Å; F315-Y321 HydrophobicContact CE1-CE2 4.28Å |
| 316 | I | 82.2 | Confident | 78 | Confident | 8 Ų | 8 | 51.9 Ų | 51.9 | 4% | 0.041 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -55.3 | -47.1 | 174 | -73.3 | 165.7 | 0 | 0 | 0 | 110.6 | I292 A312 L313 K319 G320 Y321 T325 V327 | I292-I316 HydrophobicContact CG1-CD1 4.23Å; I292-I316 HydrophobicContact CG1-CG1 4.03Å; A312-I316 WeakPolarHBondContact O-CG1 2.99Å; A312-I316 PolarHBondContact O-N 2.53Å; L313-I316 HydrophobicContact CD2-CD1 4.47Å; L313-I316 PolarHBondContact O-N 3.34Å; I316-K319 PolarHBondContact O-N 2.86Å; I316-G320 PolarHBondContact O-N 2.93Å; I316-G320 VanDerWaalsContact O-N 3.14Å; I316-Y321 PolarHBondContact O-N 3.41Å; I316-T325 HydrophobicContact CD1-CG2 4.12Å; I316-T325 HydrophobicContact CG1-CG2 4.36Å; I316-V327 HydrophobicContact CD1-CG2 3.56Å |
| 317 | K | 83.1 | Confident | 78.6 | Confident | 184 Ų | 184 | 47.8 Ų | 47.8 | 80% | 0.8 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -62.3 | -44.6 | 177.6 | -117 | 179.4 | -178.3 | 175.9 | 0 | 112.4 | L313 G314 F315 G320 | L313-K317 PolarHBondContact O-N 2.92Å; G314-K317 PolarHBondContact O-N 2.9Å; F315-K317 VanDerWaalsContact C-N 3.31Å; F315-K317 PolarHBondContact O-N 3.08Å; K317-G320 PolarHBondContact O-N 3.34Å |
| 318 | M | 81.3 | Confident | 78.8 | Confident | 116 Ų | 116 | 46.4 Ų | 46.4 | 57% | 0.571 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | -179.9 | 176.4 | 180 | 53.1 | 0 | 0 | 112.4 | V264 G314 F315 G320 | V264-M318 HydrophobicContact CB-CE 4.29Å; V264-M318 HydrophobicContact CG2-CE 4.19Å; G314-M318 WeakPolarHBondContact O-CB 3.23Å; G314-M318 PolarHBondContact O-N 3.19Å; F315-M318 HydrophobicContact CD2-CE 3.58Å; F315-M318 HydrophobicContact CE2-CE 4.19Å; F315-M318 HydrophobicContact CG-CE 4.39Å; F315-M318 PolarHBondContact O-N 3.26Å; M318-G320 VanDerWaalsContact C-N 3.26Å; M318-G320 PolarHBondContact O-N 3.46Å |
| 319 | K | 79.7 | Confident | 79.1 | Confident | 89 Ų | 89 | 46.3 Ų | 46.3 | 39% | 0.387 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -78.4 | -8.2 | 177.4 | -71 | -68.2 | -167.1 | 173.6 | 0 | 113.6 | Y253 F315 I316 Y321 | Y253-K319 VanDerWaalsContact OH-CE 3.3Å; Y253-K319 WeakPolarHBondContact OH-CE 3.47Å; Y253-K319 PolarHBondContact OH-NZ 3.03Å; F315-K319 HydrophobicContact CD1-CG 4.29Å; F315-K319 HydrophobicContact CD2-CG 4.41Å; F315-K319 HydrophobicContact CE1-CG 3.84Å; F315-K319 HydrophobicContact CE2-CD 4.46Å; F315-K319 HydrophobicContact CE2-CG 3.98Å; F315-K319 HydrophobicContact CZ-CD 4.23Å; F315-K319 VanDerWaalsContact CZ-CE 3.49Å; F315-K319 HydrophobicContact CZ-CG 3.68Å; F315-K319 PolarHBondContact O-N 2.67Å; I316-K319 PolarHBondContact O-N 2.86Å; K319-Y321 VanDerWaalsContact C-N 3.29Å; K319-Y321 HydrophobicContact CB-CD1 4.5Å; K319-Y321 HydrophobicContact CB-CD2 3.55Å; K319-Y321 HydrophobicContact CB-CE1 4.42Å; K319-Y321 HydrophobicContact CB-CE2 3.46Å; K319-Y321 VanDerWaalsContact CB-CE2 3.46Å; K319-Y321 HydrophobicContact CB-CG 4.08Å; K319-Y321 HydrophobicContact CG-CD2 4.3Å; K319-Y321 HydrophobicContact CG-CE2 3.84Å |
| 320 | G | 75.4 | Confident | 79 | Confident | 65 Ų | 65 | 45.4 Ų | 45.4 | 67% | 0.67 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.1 | 22.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | I316 K317 M318 | I316-G320 PolarHBondContact O-N 2.93Å; I316-G320 VanDerWaalsContact O-N 3.14Å; K317-G320 PolarHBondContact O-N 3.34Å; M318-G320 VanDerWaalsContact C-N 3.26Å; M318-G320 PolarHBondContact O-N 3.46Å |
| 321 | Y | 79.3 | Confident | 78.8 | Confident | 47 Ų | 47 | 42.5 Ų | 42.5 | 18% | 0.184 | 24% | 0.244 | C | C | . | . | trans | -73.9 | 154.5 | 177.1 | -66.3 | -39.4 | 0 | 0 | 0 | 111.7 | D286 F315 I316 K319 | D286-Y321 PolarHBondContact OD2-OH 3.32Å; D286-Y321 VanDerWaalsContact OD2-OH 3.13Å; F315-Y321 HydrophobicContact CE1-CE2 4.28Å; I316-Y321 PolarHBondContact O-N 3.41Å; K319-Y321 VanDerWaalsContact C-N 3.29Å; K319-Y321 HydrophobicContact CB-CD1 4.5Å; K319-Y321 HydrophobicContact CB-CD2 3.55Å; K319-Y321 HydrophobicContact CB-CE1 4.42Å; K319-Y321 HydrophobicContact CB-CE2 3.46Å; K319-Y321 VanDerWaalsContact CB-CE2 3.46Å; K319-Y321 HydrophobicContact CB-CG 4.08Å; K319-Y321 HydrophobicContact CG-CD2 4.3Å; K319-Y321 HydrophobicContact CG-CE2 3.84Å | ||
| 322 | P | 72 | Confident | 78.5 | Confident | 75 Ų | 75 | 42.5 Ų | 42.5 | 49% | 0.487 | 25% | 0.245 | S | C | . | . | trans | -55.9 | 142.3 | 176.2 | -24.7 | 34.5 | 0 | 0 | 0 | 112 | S324 T325 | P322-S324 PolarHBondContact O-N 3.1Å; P322-S324 VanDerWaalsContact O-N 3.12Å; P322-T325 VanDerWaalsContact O-CB 3.3Å; P322-T325 WeakPolarHBondContact O-CB 3.12Å; P322-T325 PolarHBondContact O-N 3.09Å; P322-T325 PolarHBondContact O-OG1 2.69Å | ||
| 323 | S | 72.4 | Confident | 77.4 | Confident | 99 Ų | 99 | 44.9 Ų | 44.9 | 69% | 0.692 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | -15.7 | 175 | 53.3 | 0 | 0 | 0 | 0 | 113.5 | R94 T325 | R94-S323 PolarHBondContact NH1-O 3.03Å; R94-S323 PolarHBondContact NH2-O 3.32Å; R94-S323 VanDerWaalsContact NH2-O 3.13Å; S323-T325 VanDerWaalsContact C-N 3.28Å |
| 324 | S | 71.8 | Confident | 76.1 | Confident | 27 Ų | 27 | 43.5 Ų | 43.5 | 19% | 0.189 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -1.5 | 172.1 | 55.3 | 0 | 0 | 0 | 0 | 114.4 | H99 P322 N326 | H99-S324 VanDerWaalsContact CD2-CB 3.45Å; H99-S324 WeakPolarHBondContact CD2-CB 3.25Å; P322-S324 PolarHBondContact O-N 3.1Å; P322-S324 VanDerWaalsContact O-N 3.12Å; S324-N326 PolarHBondContact O-N 2.77Å |
| 325 | T | 73.9 | Confident | 75.3 | Confident | 6 Ų | 6 | 42.7 Ų | 42.7 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | trans | -60.2 | 127.8 | 176.5 | -55.3 | 0 | 0 | 0 | 0 | 110.8 | R94 G289 I292 I316 P322 S323 | R94-T325 PolarHBondContact NH1-O 3.33Å; G289-T325 VanDerWaalsContact O-CG2 3.22Å; G289-T325 WeakPolarHBondContact O-CG2 3.48Å; G289-T325 PolarHBondContact O-OG1 3.24Å; I292-T325 HydrophobicContact CG1-CG2 3.85Å; I316-T325 HydrophobicContact CD1-CG2 4.12Å; I316-T325 HydrophobicContact CG1-CG2 4.36Å; P322-T325 VanDerWaalsContact O-CB 3.3Å; P322-T325 WeakPolarHBondContact O-CB 3.12Å; P322-T325 PolarHBondContact O-N 3.09Å; P322-T325 PolarHBondContact O-OG1 2.69Å; S323-T325 VanDerWaalsContact C-N 3.28Å | ||
| 326 | N | 74.7 | Confident | 73.7 | Confident | 21 Ų | 21 | 44.1 Ų | 44.1 | 11% | 0.112 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 144.1 | 178.8 | -73 | -21.1 | 0 | 0 | 0 | 112 | H99 K291 I292 S324 | H99-N326 VanDerWaalsContact O-CG 3.25Å; H99-N326 PolarHBondContact O-ND2 2.63Å; H99-N326 PolarHBondContact O-OD1 2.83Å; K291-N326 HydrophobicContact CG-CB 4.35Å; I292-N326 PolarHBondContact N-O 3.27Å; S324-N326 PolarHBondContact O-N 2.77Å |
| 327 | V | 83.1 | Confident | 72.1 | Confident | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.012 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 125.5 | 176.8 | -172 | 0 | 0 | 0 | 0 | 109.5 | R94 I292 V294 M309 A312 L313 I316 | R94-V327 HydrophobicContact CB-CB 4.13Å; R94-V327 PolarHBondContact N-O 3.47Å; I292-V327 HydrophobicContact CB-CG2 4.37Å; I292-V327 CarbonylContact O-C 3.59Å; I292-V327 VanDerWaalsContact O-CA 3.31Å; I292-V327 WeakPolarHBondContact O-CA 3.38Å; V294-V327 HydrophobicContact CG2-CG1 3.84Å; M309-V327 HydrophobicContact SD-CB 4.13Å; M309-V327 HydrophobicContact SD-CG1 3.77Å; A312-V327 HydrophobicContact CB-CG1 3.84Å; L313-V327 HydrophobicContact CD2-CG2 4.47Å; I316-V327 HydrophobicContact CD1-CG2 3.56Å |
| 328 | E | 80.5 | Confident | 70.5 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.019 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 123.9 | 173.2 | -178.8 | 177.1 | 144.2 | 0 | 0 | 108.9 | V91 Q92 H93 K291 I292 Y293 V294 V330 S336 | V91-E328 HydrophobicContact CG1-CG 3.88Å; Q92-E328 CarbonylContact O-C 3.58Å; Q92-E328 WeakPolarHBondContact O-CA 3.46Å; H93-E328 IonicContact CE1-OE2 3.62Å; K291-E328 VanDerWaalsContact CE-OE2 3.28Å; K291-E328 WeakPolarHBondContact CE-OE2 3.45Å; K291-E328 IonicContact NZ-OE2 2.82Å; K291-E328 PolarHBondContact NZ-OE2 3.03Å; I292-E328 PolarHBondContact O-N 2.57Å; Y293-E328 CarbonylContact C-O 3.51Å; Y293-E328 VanDerWaalsContact CA-O 3.25Å; Y293-E328 WeakPolarHBondContact CA-O 3.23Å; Y293-E328 HydrophobicContact CD1-CB 3.84Å; Y293-E328 HydrophobicContact CD1-CG 4.07Å; Y293-E328 HydrophobicContact CE1-CB 4.14Å; Y293-E328 HydrophobicContact CE1-CG 4.27Å; Y293-E328 VanDerWaalsContact CE1-OE2 3.3Å; Y293-E328 WeakPolarHBondContact CE1-OE2 3.22Å; V294-E328 PolarHBondContact N-O 2.77Å; E328-V330 HydrophobicContact CG-CG2 3.94Å; E328-S336 PolarHBondContact OE1-OG 2.87Å |
| 329 | T | 82.8 | Confident | 69.4 | Low | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 122.8 | 176.7 | -47.3 | 0 | 0 | 0 | 0 | 109.5 | V91 Q92 V294 K296 M309 | V91-T329 WeakPolarHBondContact CG1-O 3.31Å; Q92-T329 PolarHBondContact N-O 3.21Å; Q92-T329 VanDerWaalsContact N-O 3.12Å; Q92-T329 PolarHBondContact O-N 3.47Å; V294-T329 HydrophobicContact CB-CG2 3.96Å; V294-T329 HydrophobicContact CG1-CG2 4.22Å; V294-T329 CarbonylContact O-C 3.57Å; V294-T329 WeakPolarHBondContact O-CA 3.44Å; K296-T329 HydrophobicContact CD-CG2 3.61Å; K296-T329 HydrophobicContact CG-CG2 3.9Å; M309-T329 WeakPolarHBondContact CE-OG1 3.43Å |
| 330 | V | 75.8 | Confident | 68.3 | Low | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128.7 | -169.3 | -173.9 | 0 | 0 | 0 | 0 | 109.2 | Y293 V294 W295 K296 E328 E335 F339 | Y293-V330 HydrophobicContact CD1-CG2 4.29Å; V294-V330 PolarHBondContact O-N 3.01Å; W295-V330 CarbonylContact C-O 3.57Å; W295-V330 WeakPolarHBondContact CA-O 3.29Å; K296-V330 PolarHBondContact N-O 2.9Å; E328-V330 HydrophobicContact CG-CG2 3.94Å; V330-E335 VanDerWaalsContact CG1-CA 3.43Å; V330-E335 HydrophobicContact CG1-CB 3.71Å; V330-E335 HydrophobicContact CG1-CG 3.65Å; V330-F339 HydrophobicContact CG2-CD2 4.21Å; V330-F339 HydrophobicContact CG2-CG 4.47Å |
| 331 | N | 74.8 | Confident | 67.1 | Low | 19 Ų | 19 | 39.4 Ų | 39.4 | 10% | 0.102 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 144.1 | 172.5 | -67.5 | -63.4 | 0 | 0 | 0 | 110.7 | G88 P90 K296 G333 A334 | G88-N331 VanDerWaalsContact O-CG 3.31Å; G88-N331 PolarHBondContact O-ND2 3.22Å; P90-N331 PolarHBondContact O-ND2 3.41Å; P90-N331 VanDerWaalsContact O-ND2 3.13Å; K296-N331 WeakPolarHBondContact CE-OD1 3.47Å; K296-N331 PolarHBondContact NZ-OD1 3.22Å; N331-G333 PolarHBondContact O-N 3.3Å; N331-A334 HydrophobicContact CB-CB 4.04Å; N331-A334 WeakPolarHBondContact O-CA 3.42Å; N331-A334 PolarHBondContact O-N 3.15Å |
| 332 | D | 74.5 | Confident | 66.3 | Low | 30 Ų | 30 | 37.6 Ų | 37.6 | 16% | 0.16 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | 120.5 | 170.2 | 179.3 | 1.8 | 0 | 0 | 0 | 111.3 | H279 W295 K296 K298 E335 | H279-D332 IonicContact CE1-OD1 3.69Å; H279-D332 PolarHBondContact CE1-OD1 2.82Å; H279-D332 IonicContact CE1-OD2 2.97Å; H279-D332 IonicContact CG-OD2 3.72Å; H279-D332 VanDerWaalsContact ND1-CG 3.25Å; H279-D332 IonicContact ND1-OD1 3.79Å; H279-D332 PolarHBondContact ND1-OD1 2.81Å; H279-D332 VanDerWaalsContact ND1-OD1 3.12Å; H279-D332 IonicContact ND1-OD2 3.41Å; H279-D332 PolarHBondContact ND1-OD2 3.03Å; W295-D332 HydrophobicContact CH2-CB 3.9Å; W295-D332 HydrophobicContact CZ2-CB 3.44Å; W295-D332 VanDerWaalsContact CZ2-CB 3.44Å; W295-D332 WeakPolarHBondContact CZ2-OD1 3.32Å; K296-D332 WeakPolarHBondContact O-CB 3.48Å; K296-D332 PolarHBondContact O-N 3.01Å; K298-D332 HydrophobicContact CB-CB 4.14Å; K298-D332 WeakPolarHBondContact CB-OD2 3.42Å; K298-D332 VanDerWaalsContact CG-OD2 3.23Å; K298-D332 WeakPolarHBondContact CG-OD2 3.23Å; K298-D332 VanDerWaalsContact N-CB 3.33Å; K298-D332 PolarHBondContact N-OD2 2.85Å; D332-E335 WeakPolarHBondContact CA-OE1 3.42Å |
| 333 | G | 58.3 | Low | 65.8 | Low | 50 Ų | 50 | 34.7 Ų | 34.7 | 52% | 0.515 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 90 | -12.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | N331 E335 | N331-G333 PolarHBondContact O-N 3.3Å; G333-E335 WeakPolarHBondContact CA-OE2 3.37Å; G333-E335 VanDerWaalsContact N-CD 3.31Å; G333-E335 PolarHBondContact N-OE1 3.2Å; G333-E335 PolarHBondContact N-OE2 3.5Å |
| 334 | A | 56.7 | Low | 64.8 | Low | 37 Ų | 37 | 36.6 Ų | 36.6 | 31% | 0.306 | 21% | 0.214 | S | C | . | . | trans | -107 | 24.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N331 S336 | N331-A334 HydrophobicContact CB-CB 4.04Å; N331-A334 WeakPolarHBondContact O-CA 3.42Å; N331-A334 PolarHBondContact O-N 3.15Å; A334-S336 PolarHBondContact O-N 3.25Å | ||
| 335 | E | 64.6 | Low | 63.8 | Low | 13 Ų | 13 | 42.8 Ų | 42.8 | 6% | 0.061 | 24% | 0.238 | C | C | . | . | trans | -72.5 | 131.6 | -170.6 | -42.3 | 79 | 173.3 | 0 | 0 | 113 | W295 V330 D332 G333 F339 K340 W346 | W295-E335 PolarHBondContact NE1-OE1 3.33Å; V330-E335 VanDerWaalsContact CG1-CA 3.43Å; V330-E335 HydrophobicContact CG1-CB 3.71Å; V330-E335 HydrophobicContact CG1-CG 3.65Å; D332-E335 WeakPolarHBondContact CA-OE1 3.42Å; G333-E335 WeakPolarHBondContact CA-OE2 3.37Å; G333-E335 VanDerWaalsContact N-CD 3.31Å; G333-E335 PolarHBondContact N-OE1 3.2Å; G333-E335 PolarHBondContact N-OE2 3.5Å; E335-F339 HydrophobicContact CB-CB 4.38Å; E335-F339 HydrophobicContact CB-CD1 3.58Å; E335-F339 HydrophobicContact CB-CE1 4.24Å; E335-F339 HydrophobicContact CB-CG 4.28Å; E335-F339 HydrophobicContact CG-CD1 3.76Å; E335-F339 HydrophobicContact CG-CE1 3.89Å; E335-K340 HydrophobicContact CB-CD 4.47Å; E335-K340 HydrophobicContact CB-CG 3.99Å; E335-K340 WeakPolarHBondContact O-CE 3.15Å; E335-K340 PolarHBondContact O-NZ 2.97Å; E335-W346 HydrophobicContact CB-CZ2 4.31Å; E335-W346 HydrophobicContact CG-CH2 3.89Å; E335-W346 HydrophobicContact CG-CZ2 3.76Å; E335-W346 WeakPolarHBondContact OE1-CZ2 3.26Å | ||
| 336 | S | 51.7 | Low | 62.9 | Low | 33 Ų | 33 | 45.1 Ų | 45.1 | 23% | 0.231 | 25% | 0.246 | C | C | . | . | trans | -65.3 | 153.9 | 177.7 | 68.4 | 0 | 0 | 0 | 0 | 110.6 | E328 A334 M338 F339 K340 | E328-S336 PolarHBondContact OE1-OG 2.87Å; A334-S336 PolarHBondContact O-N 3.25Å; S336-M338 PolarHBondContact O-N 3.05Å; S336-F339 PolarHBondContact O-N 2.8Å; S336-F339 PolarHBondContact OG-N 2.9Å; S336-K340 WeakPolarHBondContact O-CG 3.46Å; S336-K340 PolarHBondContact O-N 2.95Å | ||
| 337 | A | 47.3 | Very low | 61.6 | Low | 80 Ų | 80 | 47 Ų | 47 | 66% | 0.661 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -56.5 | -34.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | K340 Q341 | A337-K340 PolarHBondContact O-N 2.77Å; A337-Q341 WeakPolarHBondContact O-CG 3.47Å; A337-Q341 PolarHBondContact O-N 2.95Å; A337-Q341 VanDerWaalsContact O-N 3.1Å |
| 338 | M | 49.6 | Very low | 60 | Low | 101 Ų | 101 | 50 Ų | 50 | 50% | 0.498 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -67.9 | -30.6 | 177.6 | -67.1 | -58.4 | -72.3 | 0 | 0 | 113.7 | S336 Q341 L342 | S336-M338 PolarHBondContact O-N 3.05Å; M338-Q341 WeakPolarHBondContact O-CG 3.45Å; M338-Q341 PolarHBondContact O-NE2 2.83Å; M338-Q341 VanDerWaalsContact O-NE2 3.17Å; M338-Q341 PolarHBondContact SD-NE2 2.95Å; M338-L342 WeakPolarHBondContact O-CG 3.32Å |
| 339 | F | 58.3 | Low | 58.1 | Low | 1 Ų | 1 | 58.6 Ų | 58.6 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -77.4 | -46.5 | 171.5 | -178.6 | -91.3 | 0 | 0 | 0 | 111.5 | L277 L285 Y293 W295 V330 E335 S336 Q341 L342 F343 W346 | L277-F339 HydrophobicContact CD1-CE1 3.99Å; L277-F339 HydrophobicContact CD1-CZ 4.07Å; L285-F339 HydrophobicContact CD1-CE2 4.32Å; Y293-F339 HydrophobicContact CD1-CB 4.32Å; Y293-F339 AromaticContact CD1-CD2 3.71Å; Y293-F339 HydrophobicContact CD1-CD2 3.71Å; Y293-F339 HydrophobicContact CE1-CB 4.34Å; Y293-F339 HydrophobicContact CE1-CD2 4.46Å; Y293-F339 AromaticContact CG-CD2 3.8Å; Y293-F339 HydrophobicContact CG-CD2 3.8Å; Y293-F339 HydrophobicContact CG-CE2 4.37Å; W295-F339 HydrophobicContact CB-CE2 4.05Å; W295-F339 HydrophobicContact CB-CZ 3.64Å; W295-F339 AromaticContact CD1-CE1 3.47Å; W295-F339 VanDerWaalsContact CD1-CE1 3.47Å; W295-F339 AromaticContact CD1-CZ 3.43Å; W295-F339 VanDerWaalsContact CD1-CZ 3.43Å; W295-F339 HydrophobicContact CG-CE1 4.2Å; W295-F339 AromaticContact CG-CZ 3.73Å; W295-F339 HydrophobicContact CG-CZ 3.73Å; V330-F339 HydrophobicContact CG2-CD2 4.21Å; V330-F339 HydrophobicContact CG2-CG 4.47Å; E335-F339 HydrophobicContact CB-CB 4.38Å; E335-F339 HydrophobicContact CB-CD1 3.58Å; E335-F339 HydrophobicContact CB-CE1 4.24Å; E335-F339 HydrophobicContact CB-CG 4.28Å; E335-F339 HydrophobicContact CG-CD1 3.76Å; E335-F339 HydrophobicContact CG-CE1 3.89Å; S336-F339 PolarHBondContact O-N 2.8Å; S336-F339 PolarHBondContact OG-N 2.9Å; F339-Q341 VanDerWaalsContact C-N 3.33Å; F339-Q341 PolarHBondContact O-N 2.78Å; F339-L342 VanDerWaalsContact O-CB 3.3Å; F339-L342 WeakPolarHBondContact O-CB 3.39Å; F339-L342 WeakPolarHBondContact O-CG 3.02Å; F339-L342 PolarHBondContact O-N 3.39Å; F339-F343 AromaticContact CD1-CE2 4Å; F339-F343 HydrophobicContact CD1-CE2 4Å; F339-F343 HydrophobicContact CE1-CD2 4.37Å; F339-F343 AromaticContact CE1-CE2 3.49Å; F339-F343 HydrophobicContact CE1-CE2 3.49Å; F339-F343 VanDerWaalsContact CE1-CE2 3.49Å; F339-F343 HydrophobicContact CE1-CZ 4.04Å; F339-F343 HydrophobicContact CE2-CE2 4.28Å; F339-F343 AromaticContact CZ-CE2 3.65Å; F339-F343 HydrophobicContact CZ-CE2 3.65Å; F339-F343 AromaticContact CZ-CZ 3.89Å; F339-F343 HydrophobicContact CZ-CZ 3.89Å; F339-W346 HydrophobicContact CD1-CH2 4.2Å; F339-W346 HydrophobicContact CD1-CZ3 4.21Å; F339-W346 AromaticContact CE1-CH2 3.71Å; F339-W346 HydrophobicContact CE1-CH2 3.71Å; F339-W346 AromaticContact CE1-CZ3 3.8Å; F339-W346 HydrophobicContact CE1-CZ3 3.8Å |
| 340 | K | 56.3 | Low | 55.9 | Low | 67 Ų | 67 | 65.9 Ų | 65.9 | 29% | 0.291 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -59.8 | -38.6 | -177.1 | -69.8 | 173.9 | 176 | 156 | 0 | 112.8 | E335 S336 A337 L342 F343 W346 | E335-K340 HydrophobicContact CB-CD 4.47Å; E335-K340 HydrophobicContact CB-CG 3.99Å; E335-K340 WeakPolarHBondContact O-CE 3.15Å; E335-K340 PolarHBondContact O-NZ 2.97Å; S336-K340 WeakPolarHBondContact O-CG 3.46Å; S336-K340 PolarHBondContact O-N 2.95Å; A337-K340 PolarHBondContact O-N 2.77Å; K340-L342 PolarHBondContact O-N 3.28Å; K340-L342 VanDerWaalsContact O-N 3.14Å; K340-F343 PolarHBondContact O-N 3.03Å; K340-W346 HydrophobicContact CB-CD2 4.28Å; K340-W346 HydrophobicContact CB-CG 4.29Å; K340-W346 HydrophobicContact CD-CG 4.41Å; K340-W346 HydrophobicContact CG-CD2 3.85Å; K340-W346 HydrophobicContact CG-CE3 4.33Å; K340-W346 HydrophobicContact CG-CG 4.05Å; K340-W346 HydrophobicContact CG-CZ2 4.47Å |
| 341 | Q | 51.8 | Low | 53.8 | Low | 114 Ų | 114 | 72 Ų | 72 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.3 | 176.9 | 64.9 | 171.5 | -11.4 | 0 | 0 | 114.4 | A337 M338 F339 F343 | A337-Q341 WeakPolarHBondContact O-CG 3.47Å; A337-Q341 PolarHBondContact O-N 2.95Å; A337-Q341 VanDerWaalsContact O-N 3.1Å; M338-Q341 WeakPolarHBondContact O-CG 3.45Å; M338-Q341 PolarHBondContact O-NE2 2.83Å; M338-Q341 VanDerWaalsContact O-NE2 3.17Å; M338-Q341 PolarHBondContact SD-NE2 2.95Å; F339-Q341 VanDerWaalsContact C-N 3.33Å; F339-Q341 PolarHBondContact O-N 2.78Å; Q341-F343 PolarHBondContact O-N 3.17Å |
| 342 | L | 60.6 | Low | 51.4 | Low | 9 Ų | 9 | 77 Ų | 77 | 5% | 0.047 | 42% | 0.415 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -10.6 | 179.1 | -52.2 | 178.8 | 0 | 0 | 0 | 111.9 | I250 L285 Q287 Y293 M338 F339 K340 | I250-L342 HydrophobicContact CD1-CD2 3.9Å; L285-L342 HydrophobicContact CD1-CB 4.09Å; L285-L342 HydrophobicContact CD1-CD1 4.08Å; L285-L342 HydrophobicContact CD2-CD1 3.49Å; L285-L342 VanDerWaalsContact CD2-CD1 3.49Å; L285-L342 HydrophobicContact CG-CD1 4.46Å; Q287-L342 VanDerWaalsContact NE2-CD2 3.33Å; Y293-L342 HydrophobicContact CD2-CD1 3.83Å; Y293-L342 HydrophobicContact CE2-CD1 3.53Å; M338-L342 WeakPolarHBondContact O-CG 3.32Å; F339-L342 VanDerWaalsContact O-CB 3.3Å; F339-L342 WeakPolarHBondContact O-CB 3.39Å; F339-L342 WeakPolarHBondContact O-CG 3.02Å; F339-L342 PolarHBondContact O-N 3.39Å; K340-L342 PolarHBondContact O-N 3.28Å; K340-L342 VanDerWaalsContact O-N 3.14Å |
| 343 | F | 62.1 | Low | 49.4 | Very low | 13 Ų | 13 | 85.1 Ų | 85.1 | 6% | 0.057 | 46% | 0.455 | C | S | . | . | B | Isolated β-bridge | trans | -107.9 | 144.2 | 177.8 | -60.6 | -98.8 | 0 | 0 | 0 | 110.7 | L272 L277 L285 F339 K340 Q341 K345 W346 | L272-F343 HydrophobicContact CB-CD1 3.67Å; L272-F343 HydrophobicContact CB-CE1 4.01Å; L272-F343 HydrophobicContact CB-CG 4.27Å; L272-F343 HydrophobicContact CD1-CE1 4.43Å; L272-F343 CarbonylContact O-C 3.57Å; L272-F343 VanDerWaalsContact O-CA 3.31Å; L272-F343 WeakPolarHBondContact O-CA 3.43Å; L277-F343 HydrophobicContact CD1-CE1 3.89Å; L277-F343 HydrophobicContact CD1-CE2 4.33Å; L277-F343 HydrophobicContact CD1-CZ 3.62Å; L277-F343 HydrophobicContact CD2-CE1 4.49Å; L277-F343 HydrophobicContact CD2-CZ 4.28Å; L277-F343 HydrophobicContact CG-CE1 4.01Å; L277-F343 HydrophobicContact CG-CZ 4.07Å; L285-F343 HydrophobicContact CD1-CE2 3.78Å; L285-F343 HydrophobicContact CD1-CZ 3.75Å; F339-F343 AromaticContact CD1-CE2 4Å; F339-F343 HydrophobicContact CD1-CE2 4Å; F339-F343 HydrophobicContact CE1-CD2 4.37Å; F339-F343 AromaticContact CE1-CE2 3.49Å; F339-F343 HydrophobicContact CE1-CE2 3.49Å; F339-F343 VanDerWaalsContact CE1-CE2 3.49Å; F339-F343 HydrophobicContact CE1-CZ 4.04Å; F339-F343 HydrophobicContact CE2-CE2 4.28Å; F339-F343 AromaticContact CZ-CE2 3.65Å; F339-F343 HydrophobicContact CZ-CE2 3.65Å; F339-F343 AromaticContact CZ-CZ 3.89Å; F339-F343 HydrophobicContact CZ-CZ 3.89Å; K340-F343 PolarHBondContact O-N 3.03Å; Q341-F343 PolarHBondContact O-N 3.17Å; F343-K345 VanDerWaalsContact C-N 3.3Å; F343-K345 PolarHBondContact O-N 2.92Å; F343-W346 HydrophobicContact CB-CE3 4.05Å; F343-W346 HydrophobicContact CD1-CZ3 4.34Å; F343-W346 AromaticContact CD2-CE3 3.79Å; F343-W346 HydrophobicContact CD2-CE3 3.79Å; F343-W346 AromaticContact CD2-CZ3 3.61Å; F343-W346 HydrophobicContact CD2-CZ3 3.61Å; F343-W346 HydrophobicContact CE1-CZ3 4.49Å; F343-W346 HydrophobicContact CE2-CE3 4.44Å; F343-W346 AromaticContact CE2-CZ3 3.8Å; F343-W346 HydrophobicContact CE2-CZ3 3.8Å; F343-W346 AromaticContact CG-CE3 3.89Å; F343-W346 HydrophobicContact CG-CE3 3.89Å; F343-W346 AromaticContact CG-CZ3 3.92Å; F343-W346 HydrophobicContact CG-CZ3 3.92Å; F343-W346 HydrophobicContact CZ-CZ3 4.25Å |
| 344 | Q | 51.5 | Low | 48 | Very low | 140 Ų | 140 | 85.6 Ų | 85.6 | 65% | 0.654 | 46% | 0.459 | S | S | * | . | S | Bend | trans | -63.2 | -34.4 | -176.8 | -174 | -179 | 34.7 | 0 | 0 | 112.8 | P271 L272 V273 | P271-Q344 HydrophobicContact CB-CB 4.34Å; L272-Q344 WeakPolarHBondContact O-CB 3.33Å; L272-Q344 PolarHBondContact O-N 2.84Å; V273-Q344 HydrophobicContact CG1-CB 4.45Å |
| 345 | K | 51.1 | Low | 46.6 | Very low | 157 Ų | 157 | 92.1 Ų | 92.1 | 68% | 0.683 | 49% | 0.488 | S | S | * | . | trans | -150 | 131.5 | 179.9 | -175.5 | 178.8 | 178.9 | -177.4 | 0 | 108.1 | F343 | F343-K345 VanDerWaalsContact C-N 3.3Å; F343-K345 PolarHBondContact O-N 2.92Å | ||
| 346 | W | 54.6 | Low | 45 | Very low | 54 Ų | 54 | 94.7 Ų | 94.7 | 21% | 0.205 | 52% | 0.518 | C | S | . | . | trans | -129.3 | 121.6 | 176.9 | -166.2 | -75.9 | 0 | 0 | 0 | 109.3 | Q274 L277 E335 F339 K340 F343 | Q274-W346 HydrophobicContact CB-CE3 4.27Å; Q274-W346 HydrophobicContact CG-CD2 4.13Å; Q274-W346 HydrophobicContact CG-CE3 4.01Å; Q274-W346 HydrophobicContact CG-CH2 4.31Å; Q274-W346 HydrophobicContact CG-CZ2 4.42Å; Q274-W346 HydrophobicContact CG-CZ3 4.11Å; L277-W346 HydrophobicContact CD1-CH2 3.64Å; L277-W346 HydrophobicContact CD1-CZ3 3.77Å; E335-W346 HydrophobicContact CB-CZ2 4.31Å; E335-W346 HydrophobicContact CG-CH2 3.89Å; E335-W346 HydrophobicContact CG-CZ2 3.76Å; E335-W346 WeakPolarHBondContact OE1-CZ2 3.26Å; F339-W346 HydrophobicContact CD1-CH2 4.2Å; F339-W346 HydrophobicContact CD1-CZ3 4.21Å; F339-W346 AromaticContact CE1-CH2 3.71Å; F339-W346 HydrophobicContact CE1-CH2 3.71Å; F339-W346 AromaticContact CE1-CZ3 3.8Å; F339-W346 HydrophobicContact CE1-CZ3 3.8Å; K340-W346 HydrophobicContact CB-CD2 4.28Å; K340-W346 HydrophobicContact CB-CG 4.29Å; K340-W346 HydrophobicContact CD-CG 4.41Å; K340-W346 HydrophobicContact CG-CD2 3.85Å; K340-W346 HydrophobicContact CG-CE3 4.33Å; K340-W346 HydrophobicContact CG-CG 4.05Å; K340-W346 HydrophobicContact CG-CZ2 4.47Å; F343-W346 HydrophobicContact CB-CE3 4.05Å; F343-W346 HydrophobicContact CD1-CZ3 4.34Å; F343-W346 AromaticContact CD2-CE3 3.79Å; F343-W346 HydrophobicContact CD2-CE3 3.79Å; F343-W346 AromaticContact CD2-CZ3 3.61Å; F343-W346 HydrophobicContact CD2-CZ3 3.61Å; F343-W346 HydrophobicContact CE1-CZ3 4.49Å; F343-W346 HydrophobicContact CE2-CE3 4.44Å; F343-W346 AromaticContact CE2-CZ3 3.8Å; F343-W346 HydrophobicContact CE2-CZ3 3.8Å; F343-W346 AromaticContact CG-CE3 3.89Å; F343-W346 HydrophobicContact CG-CE3 3.89Å; F343-W346 AromaticContact CG-CZ3 3.92Å; F343-W346 HydrophobicContact CG-CZ3 3.92Å; F343-W346 HydrophobicContact CZ-CZ3 4.25Å | ||
| 347 | S | 47.2 | Very low | 44 | Very low | 60 Ų | 60 | 100.2 Ų | 100.2 | 42% | 0.42 | 54% | 0.538 | S | S | . | . | trans | -126.3 | 140.2 | -177.6 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | Q274 | Q274-S347 PolarHBondContact NE2-O 3.23Å; Q274-S347 PolarHBondContact OE1-O 3.03Å; Q274-S347 PolarHBondContact OE1-OG 2.87Å | ||
| 348 | V | 51 | Low | 43.3 | Very low | 65 Ų | 65 | 99.2 Ų | 99.2 | 39% | 0.394 | 52% | 0.524 | S | S | . | . | trans | -105.2 | 114 | 177.2 | -173.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 349 | K | 39.7 | Very low | 42.6 | Very low | 185 Ų | 185 | 99.5 Ų | 99.5 | 80% | 0.804 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 139.3 | 173.7 | -75.2 | 179.7 | 178.1 | 171.3 | 0 | 108.8 | ||
| 350 | D | 36 | Very low | 41.1 | Very low | 155 Ų | 155 | 104.4 Ų | 104.4 | 83% | 0.829 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.7 | 35.6 | -176.3 | -49.6 | -37.7 | 0 | 0 | 0 | 117.7 | T352 | D350-T352 PolarHBondContact O-N 2.65Š|
| 351 | Q | 31.3 | Very low | 40.1 | Very low | 129 Ų | 129 | 109.9 Ų | 109.9 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | trans | -73.9 | 109.4 | 161.9 | -90.5 | -177.7 | -13 | 0 | 0 | 111.3 | ||||
| 352 | T | 25.4 | Very low | 38.9 | Very low | 123 Ų | 123 | 107.5 Ų | 107.5 | 76% | 0.755 | 59% | 0.593 | S | S | * | * | trans | -66.6 | 132.8 | 151.3 | 32.6 | 0 | 0 | 0 | 0 | 109 | D350 G354 | D350-T352 PolarHBondContact O-N 2.65Å; T352-G354 PolarHBondContact O-N 2.91Å | ||
| 353 | M | 31.4 | Very low | 37.5 | Very low | 202 Ų | 202 | 117.1 Ų | 117.1 | 100% | 0.995 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -65.6 | 98 | 172.2 | -69.7 | -176.8 | 67 | 0 | 0 | 109.6 | ||
| 354 | G | 29.8 | Very low | 36 | Very low | 59 Ų | 59 | 122.9 Ų | 122.9 | 61% | 0.608 | 67% | 0.665 | S | S | * | * | S | Bend | trans | 165.8 | 135.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | T352 | T352-G354 PolarHBondContact O-N 2.91Š|
| 355 | L | 28.5 | Very low | 34.7 | Very low | 175 Ų | 175 | 120.4 Ų | 120.4 | 92% | 0.916 | 67% | 0.668 | S | S | * | * | S | Bend | trans | 34.3 | 101.7 | 169.8 | -82.2 | 141.1 | 0 | 0 | 0 | 118.4 | ||
| 356 | G | 30.6 | Very low | 33.4 | Very low | 67 Ų | 67 | 122.1 Ų | 122.1 | 69% | 0.691 | 68% | 0.676 | S | S | * | * | S | Bend | trans | 68.4 | 158.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||
| 357 | K | 29.2 | Very low | 32.1 | Very low | 149 Ų | 149 | 125.3 Ų | 125.3 | 65% | 0.648 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -66.5 | 139.6 | -174.7 | -63 | 169.1 | 179.1 | 170.3 | 0 | 111.9 | ||
| 358 | T | 34 | Very low | 31 | Very low | 59 Ų | 59 | 130.8 Ų | 130.8 | 36% | 0.362 | 72% | 0.717 | S | S | . | * | trans | -87.8 | 137.4 | -170.1 | 47.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 359 | F | 34.2 | Very low | 29.8 | Very low | 106 Ų | 106 | 136.8 Ų | 136.8 | 47% | 0.465 | 74% | 0.741 | S | S | . | * | cis | 95.2 | 129.7 | 39.1 | -70.4 | -79.3 | 0 | 0 | 0 | 114.4 | L54 | L54-F359 HydrophobicContact CD1-CD1 3.28Å; L54-F359 HydrophobicContact CD1-CE1 3.23Å; L54-F359 HydrophobicContact CD1-CG 4.02Å; L54-F359 HydrophobicContact CD1-CZ 3.93Å; L54-F359 HydrophobicContact CD2-CD1 3.28Å; L54-F359 HydrophobicContact CD2-CE1 3.76Å; L54-F359 HydrophobicContact CD2-CG 4.31Å; L54-F359 HydrophobicContact CG-CD1 3.34Å; L54-F359 HydrophobicContact CG-CE1 3.25Å; L54-F359 HydrophobicContact CG-CG 4.45Å; L54-F359 HydrophobicContact CG-CZ 4.32Å | ||
| 360 | S | 27.7 | Very low | 29.2 | Very low | 105 Ų | 105 | 134.7 Ų | 134.7 | 73% | 0.734 | 74% | 0.739 | S | S | * | * | trans | -116.2 | 131.7 | 169.3 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 361 | I | 34.2 | Very low | 29.1 | Very low | 181 Ų | 181 | 136.8 Ų | 136.8 | 93% | 0.928 | 74% | 0.741 | S | S | * | * | trans | -98.7 | 112.5 | 176.1 | -63.8 | 169.6 | 0 | 0 | 0 | 109.4 | ||||
| 362 | G | 27.9 | Very low | 29.4 | Very low | 64 Ų | 64 | 134.8 Ų | 134.8 | 66% | 0.66 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -158.2 | 86.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||
| 363 | K | 31.1 | Very low | 30.2 | Very low | 211 Ų | 211 | 132.7 Ų | 132.7 | 92% | 0.917 | 71% | 0.714 | S | S | * | * | trans | 54.9 | 70.2 | 171.7 | -71 | -176.9 | 177 | 176.7 | 0 | 116.3 | ||||
| 364 | I | 30.1 | Very low | 30.5 | Very low | 135 Ų | 135 | 125.1 Ų | 125.1 | 69% | 0.692 | 68% | 0.679 | S | S | * | * | trans | -81 | 120.1 | 164.3 | -63.7 | 168.4 | 0 | 0 | 0 | 108.6 | V367 | I364-V367 HydrophobicContact CG2-CG2 4.33Š| ||
| 365 | A | 23.9 | Very low | 31.1 | Very low | 88 Ų | 88 | 126.5 Ų | 126.5 | 73% | 0.727 | 68% | 0.676 | S | S | * | * | trans | -58.6 | 140.1 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | V367 | A365-V367 PolarHBondContact O-N 3.15Š| ||
| 366 | K | 24.3 | Very low | 32 | Very low | 193 Ų | 193 | 122 Ų | 122 | 84% | 0.839 | 65% | 0.652 | S | S | * | * | trans | -36.7 | 123 | -178.1 | -78.2 | 178.2 | 173 | 179.7 | 0 | 112.5 | F368 | K366-F368 PolarHBondContact O-N 2.99Š| ||
| 367 | V | 25.9 | Very low | 32.5 | Very low | 120 Ų | 120 | 119.1 Ų | 119.1 | 73% | 0.727 | 62% | 0.621 | S | S | * | * | trans | -61.7 | 118.6 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 109.7 | I364 A365 | I364-V367 HydrophobicContact CG2-CG2 4.33Å; A365-V367 PolarHBondContact O-N 3.15Å | ||
| 368 | F | 24.1 | Very low | 33.1 | Very low | 176 Ų | 176 | 117.4 Ų | 117.4 | 77% | 0.772 | 62% | 0.615 | S | S | * | * | trans | -101 | 122.6 | 156 | -79.3 | -87.6 | 0 | 0 | 0 | 107.3 | K366 D370 | K366-F368 PolarHBondContact O-N 2.99Å; F368-D370 PolarHBondContact O-N 2.92Å | ||
| 369 | Q | 26.4 | Very low | 33.3 | Very low | 190 Ų | 190 | 119.2 Ų | 119.2 | 89% | 0.888 | 63% | 0.626 | S | S | * | * | trans | -81.2 | 100.9 | 162.7 | -86.7 | -177.9 | -31.9 | 0 | 0 | 106.9 | ||||
| 370 | D | 27.8 | Very low | 33.6 | Very low | 142 Ų | 142 | 119.4 Ų | 119.4 | 76% | 0.759 | 63% | 0.627 | S | S | * | * | trans | -103.4 | 134.9 | 163.4 | -74.6 | -40.7 | 0 | 0 | 0 | 109.1 | F368 | F368-D370 PolarHBondContact O-N 2.92Š| ||
| 371 | K | 33.1 | Very low | 34 | Very low | 199 Ų | 199 | 119.1 Ų | 119.1 | 87% | 0.865 | 62% | 0.623 | S | S | * | * | trans | -55.8 | 144.4 | 165.9 | -74.1 | -176.9 | 173.6 | -171.7 | 0 | 108.7 | D373 | K371-D373 PolarHBondContact O-N 2.87Š| ||
| 372 | F | 38.4 | Very low | 33.9 | Very low | 87 Ų | 87 | 115.2 Ų | 115.2 | 38% | 0.382 | 60% | 0.6 | S | S | . | * | trans | -57.3 | 104.1 | 175.4 | 179.4 | -105.2 | 0 | 0 | 0 | 109.6 | V374 L377 V383 E387 | F372-V374 HydrophobicContact CD1-CG2 3.93Å; F372-V374 HydrophobicContact CE1-CB 4.38Å; F372-V374 HydrophobicContact CE1-CG1 4.2Å; F372-V374 HydrophobicContact CE1-CG2 3.79Å; F372-L377 HydrophobicContact CZ-CD1 4.05Å; F372-V383 HydrophobicContact CE2-CG1 3.75Å; F372-E387 HydrophobicContact CE2-CG 4.02Å; F372-E387 HydrophobicContact CZ-CG 4.17Å | ||
| 373 | D | 41.3 | Very low | 34.3 | Very low | 79 Ų | 79 | 114.3 Ų | 114.3 | 42% | 0.422 | 58% | 0.582 | S | S | . | * | trans | -95.8 | 102.8 | 179 | -169.9 | -12.8 | 0 | 0 | 0 | 108.9 | K371 T375 L376 | K371-D373 PolarHBondContact O-N 2.87Å; D373-T375 PolarHBondContact O-N 2.88Å; D373-T375 VanDerWaalsContact O-N 3.11Å; D373-T375 WeakPolarHBondContact OD1-CB 3.47Å; D373-T375 WeakPolarHBondContact OD1-CG2 3.37Å; D373-T375 PolarHBondContact OD1-N 3.2Å; D373-T375 PolarHBondContact OD1-OG1 2.79Å; D373-T375 PolarHBondContact OD2-OG1 2.8Å; D373-L376 HydrophobicContact CB-CD1 4Å; D373-L376 HydrophobicContact CB-CG 4.17Å; D373-L376 PolarHBondContact O-N 3.11Å | ||
| 374 | V | 38.1 | Very low | 34.5 | Very low | 43 Ų | 43 | 104.7 Ų | 104.7 | 26% | 0.261 | 54% | 0.541 | S | S | . | . | G | 310 helix | trans | -61 | -21.8 | -177.7 | -150.2 | 0 | 0 | 0 | 0 | 111.3 | F372 L376 L377 D392 | F372-V374 HydrophobicContact CD1-CG2 3.93Å; F372-V374 HydrophobicContact CE1-CB 4.38Å; F372-V374 HydrophobicContact CE1-CG1 4.2Å; F372-V374 HydrophobicContact CE1-CG2 3.79Å; V374-L376 PolarHBondContact O-N 2.8Å; V374-L377 HydrophobicContact CB-CD1 4.25Å; V374-L377 HydrophobicContact CG1-CD1 3.32Å; V374-L377 WeakPolarHBondContact O-CB 3.32Å; V374-L377 WeakPolarHBondContact O-CD1 3.46Å; V374-L377 PolarHBondContact O-N 3.3Å; V374-D392 HydrophobicContact CB-CB 4.07Å; V374-D392 HydrophobicContact CG1-CB 3.26Å |
| 375 | T | 43.5 | Very low | 34.6 | Very low | 87 Ų | 87 | 101.5 Ų | 101.5 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -71.4 | -12.5 | 178.1 | 70.5 | 0 | 0 | 0 | 0 | 113.8 | D373 H378 | D373-T375 PolarHBondContact O-N 2.88Å; D373-T375 VanDerWaalsContact O-N 3.11Å; D373-T375 WeakPolarHBondContact OD1-CB 3.47Å; D373-T375 WeakPolarHBondContact OD1-CG2 3.37Å; D373-T375 PolarHBondContact OD1-N 3.2Å; D373-T375 PolarHBondContact OD1-OG1 2.79Å; D373-T375 PolarHBondContact OD2-OG1 2.8Å; T375-H378 PolarHBondContact O-CD2 2.88Å |
| 376 | L | 47.3 | Very low | 35 | Very low | 80 Ų | 80 | 99.2 Ų | 99.2 | 42% | 0.419 | 51% | 0.51 | S | S | . | . | G | 310 helix | trans | -90.6 | -5.7 | 177.4 | -61.8 | 175.1 | 0 | 0 | 0 | 113.3 | D373 V374 H378 T379 K380 | D373-L376 HydrophobicContact CB-CD1 4Å; D373-L376 HydrophobicContact CB-CG 4.17Å; D373-L376 PolarHBondContact O-N 3.11Å; V374-L376 PolarHBondContact O-N 2.8Å; L376-H378 VanDerWaalsContact C-N 3.29Å; L376-H378 PolarHBondContact O-N 3.15Å; L376-T379 PolarHBondContact O-N 3.06Å; L376-T379 PolarHBondContact O-OG1 3.29Å; L376-K380 PolarHBondContact O-N 2.89Å |
| 377 | L | 39.3 | Very low | 35.8 | Very low | 7 Ų | 7 | 92.7 Ų | 92.7 | 4% | 0.037 | 48% | 0.482 | C | S | . | . | G | 310 helix | trans | -56.7 | -38.3 | -178 | -101.7 | 134.2 | 0 | 0 | 0 | 113.1 | F372 V374 T379 K380 A384 M389 D392 | F372-L377 HydrophobicContact CZ-CD1 4.05Å; V374-L377 HydrophobicContact CB-CD1 4.25Å; V374-L377 HydrophobicContact CG1-CD1 3.32Å; V374-L377 WeakPolarHBondContact O-CB 3.32Å; V374-L377 WeakPolarHBondContact O-CD1 3.46Å; V374-L377 PolarHBondContact O-N 3.3Å; L377-T379 PolarHBondContact O-N 3.4Å; L377-T379 VanDerWaalsContact O-N 3.16Å; L377-K380 PolarHBondContact O-N 3.45Å; L377-A384 HydrophobicContact CD2-CB 3.55Å; L377-M389 HydrophobicContact CD2-CB 3.68Å; L377-D392 HydrophobicContact CD1-CB 4.45Å |
| 378 | H | 42 | Very low | 37.2 | Very low | 113 Ų | 113 | 96.1 Ų | 96.1 | 52% | 0.523 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -68 | -14.8 | 179.1 | -29 | -64.8 | 0 | 0 | 0 | 113.3 | T375 L376 D392 | T375-H378 PolarHBondContact O-CD2 2.88Å; L376-H378 VanDerWaalsContact C-N 3.29Å; L376-H378 PolarHBondContact O-N 3.15Å; H378-D392 IonicContact CE1-OD1 2.9Å |
| 379 | T | 39.2 | Very low | 39.1 | Very low | 97 Ų | 97 | 87.8 Ų | 87.8 | 60% | 0.595 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -106.6 | -10.5 | -177 | 65.2 | 0 | 0 | 0 | 0 | 113.7 | L376 L377 | L376-T379 PolarHBondContact O-N 3.06Å; L376-T379 PolarHBondContact O-OG1 3.29Å; L377-T379 PolarHBondContact O-N 3.4Å; L377-T379 VanDerWaalsContact O-N 3.16Å |
| 380 | K | 40.1 | Very low | 40.9 | Very low | 111 Ų | 111 | 81.5 Ų | 81.5 | 48% | 0.483 | 42% | 0.42 | S | S | . | . | trans | -138.6 | 81.8 | -177.4 | -65.4 | -175.9 | -176.8 | 176 | 0 | 110.6 | L376 L377 E382 V383 A384 | L376-K380 PolarHBondContact O-N 2.89Å; L377-K380 PolarHBondContact O-N 3.45Å; K380-E382 PolarHBondContact O-N 2.88Å; K380-V383 HydrophobicContact CB-CB 4.43Å; K380-V383 HydrophobicContact CB-CG2 4.13Å; K380-V383 HydrophobicContact CD-CG2 4.36Å; K380-V383 PolarHBondContact O-N 3.05Å; K380-A384 PolarHBondContact O-N 3.35Å | ||
| 381 | P | 37 | Very low | 43.2 | Very low | 99 Ų | 99 | 75.1 Ų | 75.1 | 64% | 0.643 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -55.6 | -24.5 | -179.3 | -23 | 33.1 | 0 | 0 | 0 | 113.8 | A384 A385 | P381-A384 WeakPolarHBondContact O-CB 3.09Å; P381-A384 PolarHBondContact O-N 2.7Å; P381-A385 PolarHBondContact O-N 2.93Å |
| 382 | E | 31 | Very low | 45.3 | Very low | 98 Ų | 98 | 66.9 Ų | 66.9 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.7 | -57.9 | 176.2 | -81.7 | 178.8 | -150 | 0 | 0 | 112.8 | D11 D13 K380 A384 A385 Q386 | D11-E382 HydrophobicContact CB-CG 4.08Å; D13-E382 WeakPolarHBondContact OD2-CA 3.45Å; D13-E382 WeakPolarHBondContact OD2-CB 3.13Å; D13-E382 WeakPolarHBondContact OD2-CG 3.35Å; K380-E382 PolarHBondContact O-N 2.88Å; E382-A384 PolarHBondContact O-N 2.81Å; E382-A384 VanDerWaalsContact O-N 3.16Å; E382-A385 PolarHBondContact O-N 3.19Å; E382-Q386 WeakPolarHBondContact O-CG 3.26Å; E382-Q386 PolarHBondContact O-N 3.18Å; E382-Q386 VanDerWaalsContact O-N 3.13Å |
| 383 | V | 36.8 | Very low | 47.4 | Very low | 46 Ų | 46 | 62.9 Ų | 62.9 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -31.9 | 175.3 | 179.9 | 0 | 0 | 0 | 0 | 111.8 | F372 K380 E387 | F372-V383 HydrophobicContact CE2-CG1 3.75Å; K380-V383 HydrophobicContact CB-CB 4.43Å; K380-V383 HydrophobicContact CB-CG2 4.13Å; K380-V383 HydrophobicContact CD-CG2 4.36Å; K380-V383 PolarHBondContact O-N 3.05Å; V383-E387 WeakPolarHBondContact O-CG 3.36Å; V383-E387 PolarHBondContact O-N 3Å |
| 384 | A | 35.9 | Very low | 49.5 | Very low | 8 Ų | 8 | 62.7 Ų | 62.7 | 7% | 0.066 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.2 | -48 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L377 K380 P381 E382 R388 M389 | L377-A384 HydrophobicContact CD2-CB 3.55Å; K380-A384 PolarHBondContact O-N 3.35Å; P381-A384 WeakPolarHBondContact O-CB 3.09Å; P381-A384 PolarHBondContact O-N 2.7Å; E382-A384 PolarHBondContact O-N 2.81Å; E382-A384 VanDerWaalsContact O-N 3.16Å; A384-R388 CarbonylContact O-C 3.5Å; A384-R388 PolarHBondContact O-N 2.78Å; A384-R388 VanDerWaalsContact O-N 3.15Å; A384-M389 CarbonylContact C-O 3.13Å; A384-M389 WeakPolarHBondContact CA-O 3.36Å; A384-M389 WeakPolarHBondContact CB-O 3.27Å; A384-M389 CarbonylContact O-C 3.54Å; A384-M389 PolarHBondContact O-N 3.1Å |
| 385 | A | 30.4 | Very low | 51.9 | Low | 69 Ų | 69 | 61.7 Ų | 61.7 | 57% | 0.57 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -67.2 | -39.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | P381 E382 R388 | P381-A385 PolarHBondContact O-N 2.93Å; E382-A385 PolarHBondContact O-N 3.19Å; A385-R388 PolarHBondContact O-N 2.79Å |
| 386 | Q | 32.7 | Very low | 54.3 | Low | 40 Ų | 40 | 63.6 Ų | 63.6 | 19% | 0.187 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -62.2 | -45.5 | 178 | -61.5 | -172.7 | 18.2 | 0 | 0 | 113.1 | D13 E382 R388 | D13-Q386 HydrophobicContact CB-CG 3.51Å; D13-Q386 PolarHBondContact OD1-NE2 2.95Å; E382-Q386 WeakPolarHBondContact O-CG 3.26Å; E382-Q386 PolarHBondContact O-N 3.18Å; E382-Q386 VanDerWaalsContact O-N 3.13Å; Q386-R388 PolarHBondContact O-N 3.13Å |
| 387 | E | 41.3 | Very low | 56.6 | Low | 55 Ų | 55 | 61.2 Ų | 61.2 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -0.7 | -179.4 | -64.7 | -63.1 | 160.8 | 0 | 0 | 112.1 | F372 V383 M389 R483 | F372-E387 HydrophobicContact CE2-CG 4.02Å; F372-E387 HydrophobicContact CZ-CG 4.17Å; V383-E387 WeakPolarHBondContact O-CG 3.36Å; V383-E387 PolarHBondContact O-N 3Å; E387-M389 HydrophobicContact CB-CB 4.1Å; E387-M389 HydrophobicContact CB-CG 3.58Å; E387-M389 WeakPolarHBondContact O-CG 3.14Å; E387-M389 PolarHBondContact O-N 3.23Å; E387-R483 IonicContact OE2-CZ 3.99Å; E387-R483 IonicContact OE2-NE 2.79Å; E387-R483 IonicContact OE2-NH1 3.55Å; E387-R483 PolarHBondContact OE2-NH1 2.79Å |
| 388 | R | 56.7 | Low | 59.3 | Low | 193 Ų | 193 | 63.7 Ų | 63.7 | 73% | 0.728 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 33.6 | -170.2 | -53.9 | 179.8 | -176.9 | 172.2 | 4.5 | 112.4 | A384 A385 Q386 H484 | A384-R388 CarbonylContact O-C 3.5Å; A384-R388 PolarHBondContact O-N 2.78Å; A384-R388 VanDerWaalsContact O-N 3.15Å; A385-R388 PolarHBondContact O-N 2.79Å; Q386-R388 PolarHBondContact O-N 3.13Å; R388-H484 VanDerWaalsContact O-CB 3.31Å; R388-H484 WeakPolarHBondContact O-CB 3.21Å |
| 389 | M | 62.7 | Low | 62 | Low | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | trans | -106.2 | 113.5 | -178.7 | -68.7 | -68.1 | -67.5 | 0 | 0 | 108.2 | L377 A384 E387 D391 R483 H484 A487 | L377-M389 HydrophobicContact CD2-CB 3.68Å; A384-M389 CarbonylContact C-O 3.13Å; A384-M389 WeakPolarHBondContact CA-O 3.36Å; A384-M389 WeakPolarHBondContact CB-O 3.27Å; A384-M389 CarbonylContact O-C 3.54Å; A384-M389 PolarHBondContact O-N 3.1Å; E387-M389 HydrophobicContact CB-CB 4.1Å; E387-M389 HydrophobicContact CB-CG 3.58Å; E387-M389 WeakPolarHBondContact O-CG 3.14Å; E387-M389 PolarHBondContact O-N 3.23Å; M389-D391 VanDerWaalsContact C-N 3.29Å; M389-D391 WeakPolarHBondContact CE-O 3.25Å; M389-R483 HydrophobicContact CG-CG 4.48Å; M389-R483 VanDerWaalsContact SD-C 3.53Å; M389-R483 HydrophobicContact SD-CB 4.07Å; M389-R483 HydrophobicContact SD-CG 3.86Å; M389-H484 WeakPolarHBondContact SD-CA 3.47Å; M389-H484 HydrophobicContact SD-CB 3.89Å; M389-H484 PolarHBondContact SD-N 2.84Å; M389-A487 HydrophobicContact CE-CB 3.24Å; M389-A487 HydrophobicContact SD-CB 3.92Å | ||
| 390 | V | 64.2 | Low | 64.7 | Low | 57 Ų | 57 | 56 Ų | 56 | 35% | 0.345 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -76.1 | -22.9 | 176.7 | -63.2 | 0 | 0 | 0 | 0 | 112.8 | Y428 Y430 I439 H484 | V390-Y428 HydrophobicContact CG2-CE1 4.37Å; V390-Y430 HydrophobicContact CB-CE2 4.03Å; V390-Y430 HydrophobicContact CG2-CD1 4.34Å; V390-Y430 HydrophobicContact CG2-CD2 4.38Å; V390-Y430 HydrophobicContact CG2-CE1 4.09Å; V390-Y430 HydrophobicContact CG2-CE2 4.09Å; V390-I439 HydrophobicContact CB-CD1 4.07Å; V390-I439 HydrophobicContact CG1-CD1 3.71Å; V390-I439 HydrophobicContact CG2-CD1 3.31Å; V390-H484 VanDerWaalsContact CG2-CE1 3.44Å; V390-H484 WeakPolarHBondContact CG2-CE1 3.26Å; V390-H484 WeakPolarHBondContact CG2-NE2 3.26Å; V390-H484 PolarHBondContact N-CD2 2.87Å |
| 391 | D | 77 | Confident | 67.4 | Low | 9 Ų | 9 | 51.4 Ų | 51.4 | 5% | 0.048 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -158.8 | -160.2 | 167.7 | 68.9 | 0.3 | 0 | 0 | 0 | 108.8 | M389 G393 Y428 Y430 H484 | M389-D391 VanDerWaalsContact C-N 3.29Å; M389-D391 WeakPolarHBondContact CE-O 3.25Å; D391-G393 VanDerWaalsContact C-N 3.28Å; D391-G393 PolarHBondContact O-N 2.91Å; D391-G393 WeakPolarHBondContact OD1-CA 3.47Å; D391-G393 PolarHBondContact OD1-N 2.79Å; D391-Y428 WeakPolarHBondContact OD1-CE1 3.3Å; D391-Y428 PolarHBondContact OD1-OH 3.42Å; D391-Y428 PolarHBondContact OD2-OH 2.92Å; D391-Y430 VanDerWaalsContact OD2-CB 3.23Å; D391-Y430 WeakPolarHBondContact OD2-CB 3.35Å; D391-H484 IonicContact OD1-CD2 2.83Å; D391-H484 IonicContact OD1-NE2 3.29Å; D391-H484 PolarHBondContact OD1-NE2 2.74Å |
| 392 | D | 76.4 | Confident | 70 | Confident | 25 Ų | 25 | 46.7 Ų | 46.7 | 13% | 0.134 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -81.6 | -0.3 | 179.4 | 74.9 | -39.9 | 0 | 0 | 0 | 114.4 | V374 L377 H378 S394 K490 | V374-D392 HydrophobicContact CB-CB 4.07Å; V374-D392 HydrophobicContact CG1-CB 3.26Å; L377-D392 HydrophobicContact CD1-CB 4.45Å; H378-D392 IonicContact CE1-OD1 2.9Å; D392-S394 VanDerWaalsContact CG-OG 3.31Å; D392-S394 VanDerWaalsContact OD1-CB 3.23Å; D392-S394 WeakPolarHBondContact OD1-CB 3.47Å; D392-S394 PolarHBondContact OD1-N 3.5Å; D392-S394 VanDerWaalsContact OD1-N 3.09Å; D392-S394 PolarHBondContact OD1-OG 2.88Å; D392-S394 WeakPolarHBondContact OD2-CB 3.5Å; D392-S394 PolarHBondContact OD2-OG 3.39Å; D392-K490 PolarHBondContact O-NZ 3.34Å; D392-K490 IonicContact OD2-NZ 3.65Å; D392-K490 PolarHBondContact OD2-NZ 3.41Å |
| 393 | G | 82.3 | Confident | 72.8 | Confident | 3 Ų | 3 | 43.2 Ų | 43.2 | 3% | 0.031 | 23% | 0.228 | C | C | . | . | S | Bend | trans | 81.1 | 18 | -172.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D391 Y428 K490 | D391-G393 VanDerWaalsContact C-N 3.28Å; D391-G393 PolarHBondContact O-N 2.91Å; D391-G393 WeakPolarHBondContact OD1-CA 3.47Å; D391-G393 PolarHBondContact OD1-N 2.79Å; G393-Y428 WeakPolarHBondContact CA-OH 3.22Å; G393-K490 WeakPolarHBondContact O-CE 2.96Å; G393-K490 PolarHBondContact O-NZ 2.98Å |
| 394 | S | 85.6 | Confident | 75.1 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 52% | 0.524 | 25% | 0.25 | S | S | . | . | trans | -90 | -2.3 | -179 | 61.5 | 0 | 0 | 0 | 0 | 115.8 | D392 Y428 | D392-S394 VanDerWaalsContact CG-OG 3.31Å; D392-S394 VanDerWaalsContact OD1-CB 3.23Å; D392-S394 WeakPolarHBondContact OD1-CB 3.47Å; D392-S394 PolarHBondContact OD1-N 3.5Å; D392-S394 VanDerWaalsContact OD1-N 3.09Å; D392-S394 PolarHBondContact OD1-OG 2.88Å; D392-S394 WeakPolarHBondContact OD2-CB 3.5Å; D392-S394 PolarHBondContact OD2-OG 3.39Å; S394-Y428 PolarHBondContact N-OH 2.73Å; S394-Y428 VanDerWaalsContact N-OH 3.1Å | ||
| 395 | G | 87.7 | Confident | 77.4 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 24% | 0.237 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -63.7 | 175.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y428 T429 | G395-Y428 VanDerWaalsContact CA-CE2 3.5Å; G395-Y428 WeakPolarHBondContact CA-OH 3.36Å; G395-Y428 PolarHBondContact N-OH 3.01Å; G395-T429 CarbonylContact C-O 3.09Å; G395-T429 VanDerWaalsContact CA-O 3.29Å; G395-T429 WeakPolarHBondContact CA-O 3.36Å |
| 396 | K | 94.3 | Very high | 80.2 | Confident | 126 Ų | 126 | 54.3 Ų | 54.3 | 55% | 0.548 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 129.8 | 179 | -174 | -167.6 | 178 | -142.1 | 0 | 109.7 | E398 Y428 T429 | K396-E398 VanDerWaalsContact NZ-CD 3.26Å; K396-E398 IonicContact NZ-OE1 2.73Å; K396-E398 IonicContact NZ-OE2 3.2Å; K396-E398 PolarHBondContact NZ-OE2 3.09Å; K396-Y428 CarbonylContact O-C 3.49Å; K396-Y428 WeakPolarHBondContact O-CA 3.31Å; K396-T429 PolarHBondContact N-O 2.78Å; K396-T429 PolarHBondContact O-N 2.93Å |
| 397 | V | 96 | Very high | 83 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 19% | 0.188 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 136.9 | 179.7 | -173.4 | 0 | 0 | 0 | 0 | 109.8 | V399 Y415 V426 L427 Y428 I488 | V397-V399 HydrophobicContact CG1-CG2 3.83Å; V397-Y415 HydrophobicContact CB-CD2 4.39Å; V397-Y415 HydrophobicContact CB-CE2 4.22Å; V397-Y415 HydrophobicContact CG1-CD2 4.11Å; V397-Y415 HydrophobicContact CG1-CE2 4.03Å; V397-V426 HydrophobicContact CG1-CG1 3.71Å; V397-L427 CarbonylContact C-O 3.56Å; V397-L427 WeakPolarHBondContact CA-O 3.5Å; V397-Y428 HydrophobicContact CG2-CD2 3.8Å; V397-Y428 HydrophobicContact CG2-CE2 4.16Å; V397-I488 HydrophobicContact CB-CG2 4.43Å; V397-I488 HydrophobicContact CG1-CG2 4.11Å; V397-I488 HydrophobicContact CG2-CG2 3.4Å; V397-I488 VanDerWaalsContact CG2-CG2 3.4Å |
| 398 | E | 96.7 | Very high | 85.6 | Confident | 59 Ų | 59 | 54.1 Ų | 54.1 | 28% | 0.276 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 127.4 | 167.8 | -65.3 | 174.2 | 93.4 | 0 | 0 | 108.3 | K396 W400 V426 L427 | K396-E398 VanDerWaalsContact NZ-CD 3.26Å; K396-E398 IonicContact NZ-OE1 2.73Å; K396-E398 IonicContact NZ-OE2 3.2Å; K396-E398 PolarHBondContact NZ-OE2 3.09Å; E398-W400 HydrophobicContact CB-CH2 3.31Å; E398-W400 HydrophobicContact CB-CZ2 3.89Å; E398-W400 HydrophobicContact CB-CZ3 3.67Å; E398-W400 HydrophobicContact CG-CH2 4.32Å; E398-W400 WeakPolarHBondContact O-CZ3 3.21Å; E398-V426 CarbonylContact O-C 3.41Å; E398-V426 WeakPolarHBondContact O-CA 3.32Å; E398-L427 HydrophobicContact CB-CB 4.43Å; E398-L427 PolarHBondContact N-O 3.24Å; E398-L427 PolarHBondContact O-N 3.12Å |
| 399 | V | 97.3 | Very high | 87.4 | Confident | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.024 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 130.3 | -177.2 | -174.4 | 0 | 0 | 0 | 0 | 109.9 | V397 V410 Y415 Y424 L425 V426 | V397-V399 HydrophobicContact CG1-CG2 3.83Å; V399-V410 HydrophobicContact CB-CB 4.15Å; V399-V410 HydrophobicContact CB-CG2 4.49Å; V399-V410 HydrophobicContact CG1-CB 3.99Å; V399-V410 HydrophobicContact CG1-CG2 3.86Å; V399-V410 PolarHBondContact O-N 3.09Å; V399-Y415 HydrophobicContact CB-CD1 4Å; V399-Y415 HydrophobicContact CB-CE1 3.58Å; V399-Y415 HydrophobicContact CB-CE2 4.34Å; V399-Y415 HydrophobicContact CG2-CD1 3.83Å; V399-Y415 HydrophobicContact CG2-CD2 3.8Å; V399-Y415 HydrophobicContact CG2-CE1 3.73Å; V399-Y415 HydrophobicContact CG2-CE2 3.71Å; V399-Y415 HydrophobicContact CG2-CG 3.87Å; V399-Y415 PolarHBondContact N-OH 2.67Å; V399-Y424 HydrophobicContact CG1-CD1 4.34Å; V399-L425 CarbonylContact C-O 3.56Å; V399-L425 WeakPolarHBondContact CA-O 3.42Å; V399-V426 HydrophobicContact CG1-CG2 4.12Å; V399-V426 HydrophobicContact CG2-CG1 4.14Å; V399-V426 HydrophobicContact CG2-CG2 4.15Å |
| 400 | W | 97.2 | Very high | 89 | Confident | 44 Ų | 44 | 49.7 Ų | 49.7 | 17% | 0.167 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 150.9 | 169.7 | -58.9 | -95.3 | 0 | 0 | 0 | 110.2 | E398 L407 V408 Y424 L425 L427 | E398-W400 HydrophobicContact CB-CH2 3.31Å; E398-W400 HydrophobicContact CB-CZ2 3.89Å; E398-W400 HydrophobicContact CB-CZ3 3.67Å; E398-W400 HydrophobicContact CG-CH2 4.32Å; E398-W400 WeakPolarHBondContact O-CZ3 3.21Å; W400-L407 HydrophobicContact CB-CB 4.29Å; W400-L407 HydrophobicContact CB-CD2 3.63Å; W400-L407 HydrophobicContact CG-CB 4.28Å; W400-L407 HydrophobicContact CG-CD2 4.16Å; W400-V408 CarbonylContact C-O 3.58Å; W400-V408 VanDerWaalsContact CA-O 3.31Å; W400-V408 WeakPolarHBondContact CA-O 3.5Å; W400-Y424 CarbonylContact O-C 3.56Å; W400-Y424 WeakPolarHBondContact O-CA 3.26Å; W400-Y424 WeakPolarHBondContact O-CB 3.49Å; W400-L425 HydrophobicContact CE3-CB 4.31Å; W400-L425 PolarHBondContact N-O 3.03Å; W400-L425 PolarHBondContact O-N 3.08Å; W400-L427 HydrophobicContact CH2-CB 3.96Å; W400-L427 HydrophobicContact CH2-CD2 4.09Å; W400-L427 HydrophobicContact CZ3-CB 3.51Å; W400-L427 HydrophobicContact CZ3-CD2 4.45Å |
| 401 | R | 95.6 | Very high | 90.3 | Very high | 14 Ų | 14 | 51 Ų | 51 | 5% | 0.053 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 146.5 | 168.1 | 177.8 | 175.3 | 57 | -126.7 | 3.4 | 108.5 | E403 V408 V410 D422 C423 Y424 S501 | R401-E403 HydrophobicContact CG-CG 4.19Å; R401-E403 IonicContact CZ-OE1 3.34Å; R401-E403 IonicContact NE-OE1 3.03Å; R401-E403 PolarHBondContact NE-OE1 3.48Å; R401-E403 IonicContact NH2-OE1 3.56Å; R401-E403 PolarHBondContact NH2-OE1 2.58Å; R401-V408 PolarHBondContact N-O 3.45Å; R401-V408 PolarHBondContact O-N 2.82Å; R401-V410 HydrophobicContact CB-CG2 3.88Å; R401-D422 WeakPolarHBondContact CD-OD2 3.22Å; R401-D422 HydrophobicContact CG-CB 4.24Å; R401-C423 WeakPolarHBondContact CA-O 3.24Å; R401-Y424 HydrophobicContact CB-CD1 3.97Å; R401-Y424 HydrophobicContact CB-CE1 3.97Å; R401-Y424 HydrophobicContact CG-CD1 4.37Å; R401-Y424 HydrophobicContact CG-CE1 4.07Å; R401-S501 WeakPolarHBondContact CD-OG 3.28Å; R401-S501 PolarHBondContact NH1-O 3.18Å; R401-S501 PolarHBondContact NH1-OG 3.16Å; R401-S501 PolarHBondContact NH2-O 3.19Å; R401-S501 VanDerWaalsContact NH2-O 3.07Å |
| 402 | I | 92.7 | Very high | 90.8 | Very high | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 121.7 | 170.7 | -58.2 | -62.5 | 0 | 0 | 0 | 108.8 | E406 L407 C423 L425 E452 A455 Q459 | I402-E406 WeakPolarHBondContact CA-O 3.39Å; I402-L407 HydrophobicContact CD1-CD2 3.66Å; I402-L407 HydrophobicContact CD1-CG 4.46Å; I402-C423 HydrophobicContact CB-CB 4.24Å; I402-C423 HydrophobicContact CG1-CB 3.97Å; I402-C423 PolarHBondContact N-O 3.18Å; I402-L425 HydrophobicContact CD1-CD1 3.79Å; I402-L425 HydrophobicContact CG1-CD1 4.09Å; I402-E452 HydrophobicContact CG2-CB 4.3Å; I402-E452 HydrophobicContact CG2-CG 4.16Å; I402-A455 HydrophobicContact CG2-CB 3.89Å; I402-Q459 HydrophobicContact CD1-CB 3.94Å; I402-Q459 HydrophobicContact CD1-CG 3.77Å |
| 403 | E | 89.9 | Confident | 91.3 | Very high | 26 Ų | 26 | 64.8 Ų | 64.8 | 12% | 0.121 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 129.5 | 173 | -58.5 | -177.5 | -155.2 | 0 | 0 | 109.6 | R401 L405 E406 V408 R502 | R401-E403 HydrophobicContact CG-CG 4.19Å; R401-E403 IonicContact CZ-OE1 3.34Å; R401-E403 IonicContact NE-OE1 3.03Å; R401-E403 PolarHBondContact NE-OE1 3.48Å; R401-E403 IonicContact NH2-OE1 3.56Å; R401-E403 PolarHBondContact NH2-OE1 2.58Å; E403-L405 PolarHBondContact O-N 2.89Å; E403-L405 VanDerWaalsContact O-N 3.11Å; E403-E406 PolarHBondContact N-O 3.24Å; E403-E406 PolarHBondContact O-N 3.5Å; E403-V408 HydrophobicContact CB-CB 4.47Å; E403-V408 HydrophobicContact CB-CG2 3.73Å; E403-V408 HydrophobicContact CG-CB 4.11Å; E403-V408 HydrophobicContact CG-CG2 3.89Å; E403-V408 WeakPolarHBondContact OE1-CG1 3.38Å; E403-R502 HydrophobicContact CG-CG 3.75Å |
| 404 | N | 85.2 | Confident | 91.7 | Very high | 140 Ų | 140 | 70 Ų | 70 | 75% | 0.749 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 37.9 | -177.9 | -54.3 | -48.7 | 0 | 0 | 0 | 112.2 | E406 | N404-E406 PolarHBondContact O-N 3.38Š|
| 405 | L | 83.5 | Confident | 92.1 | Very high | 81 Ų | 81 | 68.6 Ų | 68.6 | 42% | 0.424 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.2 | 7.5 | -177.8 | -40.9 | 176.8 | 0 | 0 | 0 | 115.7 | E403 D451 A455 Q459 | E403-L405 PolarHBondContact O-N 2.89Å; E403-L405 VanDerWaalsContact O-N 3.11Å; L405-D451 HydrophobicContact CD2-CB 3.92Å; L405-D451 WeakPolarHBondContact CD2-O 3.31Å; L405-A455 HydrophobicContact CB-CB 3.93Å; L405-A455 HydrophobicContact CD2-CB 3.73Å; L405-A455 HydrophobicContact CG-CB 4.43Å; L405-Q459 PolarHBondContact O-NE2 2.98Å |
| 406 | E | 89.1 | Confident | 92.4 | Very high | 135 Ų | 135 | 67.5 Ų | 67.5 | 63% | 0.631 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 162.5 | 178.2 | -64.1 | -166.8 | 163.8 | 0 | 0 | 112.7 | I402 E403 N404 | I402-E406 WeakPolarHBondContact CA-O 3.39Å; E403-E406 PolarHBondContact N-O 3.24Å; E403-E406 PolarHBondContact O-N 3.5Å; N404-E406 PolarHBondContact O-N 3.38Å |
| 407 | L | 92.1 | Very high | 92.4 | Very high | 44 Ų | 44 | 62.3 Ų | 62.3 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 116.2 | 176 | -72 | 169.9 | 0 | 0 | 0 | 111.1 | W400 I402 L425 Q459 V463 | W400-L407 HydrophobicContact CB-CB 4.29Å; W400-L407 HydrophobicContact CB-CD2 3.63Å; W400-L407 HydrophobicContact CG-CB 4.28Å; W400-L407 HydrophobicContact CG-CD2 4.16Å; I402-L407 HydrophobicContact CD1-CD2 3.66Å; I402-L407 HydrophobicContact CD1-CG 4.46Å; L407-L425 HydrophobicContact CD2-CB 4.34Å; L407-L425 HydrophobicContact CD2-CD1 4.09Å; L407-L425 HydrophobicContact CD2-CD2 3.77Å; L407-L425 HydrophobicContact CD2-CG 4.29Å; L407-Q459 HydrophobicContact CD1-CB 4.03Å; L407-Q459 HydrophobicContact CD1-CG 4.47Å; L407-Q459 HydrophobicContact CD2-CB 3.9Å; L407-Q459 HydrophobicContact CD2-CG 4.29Å; L407-Q459 HydrophobicContact CG-CB 3.84Å; L407-Q459 HydrophobicContact CG-CG 3.93Å; L407-V463 HydrophobicContact CD1-CG2 3.56Å |
| 408 | V | 95.2 | Very high | 92.4 | Very high | 47 Ų | 47 | 61 Ų | 61 | 29% | 0.285 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 121.7 | 173.4 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | W400 R401 E403 V410 | W400-V408 CarbonylContact C-O 3.58Å; W400-V408 VanDerWaalsContact CA-O 3.31Å; W400-V408 WeakPolarHBondContact CA-O 3.5Å; R401-V408 PolarHBondContact N-O 3.45Å; R401-V408 PolarHBondContact O-N 2.82Å; E403-V408 HydrophobicContact CB-CB 4.47Å; E403-V408 HydrophobicContact CB-CG2 3.73Å; E403-V408 HydrophobicContact CG-CB 4.11Å; E403-V408 HydrophobicContact CG-CG2 3.89Å; E403-V408 WeakPolarHBondContact OE1-CG1 3.38Å; V408-V410 PolarHBondContact O-N 3.49Å |
| 409 | P | 95.7 | Very high | 92.2 | Very high | 88 Ų | 88 | 59.7 Ų | 59.7 | 57% | 0.571 | 28% | 0.282 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 133.7 | 177.9 | -22.4 | 32.5 | 0 | 0 | 0 | 111.6 | ||
| 410 | V | 94.8 | Very high | 91.9 | Very high | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -81.7 | 140.5 | 170.7 | 179.4 | 0 | 0 | 0 | 0 | 108.4 | V399 R401 V408 W414 Y415 Y424 | V399-V410 HydrophobicContact CB-CB 4.15Å; V399-V410 HydrophobicContact CB-CG2 4.49Å; V399-V410 HydrophobicContact CG1-CB 3.99Å; V399-V410 HydrophobicContact CG1-CG2 3.86Å; V399-V410 PolarHBondContact O-N 3.09Å; R401-V410 HydrophobicContact CB-CG2 3.88Å; V408-V410 PolarHBondContact O-N 3.49Å; V410-W414 HydrophobicContact CG1-CB 3.78Å; V410-Y415 HydrophobicContact CB-CE1 4.19Å; V410-Y415 HydrophobicContact CG1-CD1 4.22Å; V410-Y415 HydrophobicContact CG1-CE1 4.33Å; V410-Y415 WeakPolarHBondContact O-CE1 3.07Å; V410-Y424 HydrophobicContact CG2-CD1 4.24Å; V410-Y424 HydrophobicContact CG2-CE1 4.32Å |
| 411 | E | 91.1 | Very high | 91.5 | Very high | 84 Ų | 84 | 58.2 Ų | 58.2 | 39% | 0.393 | 28% | 0.281 | S | S | . | . | P | Polyproline II helix | trans | -72.4 | 143.3 | 177.4 | -56.8 | 174.3 | -175.2 | 0 | 0 | 110.1 | Q413 W414 Y415 K503 | E411-Q413 HydrophobicContact CB-CG 4.47Å; E411-Q413 PolarHBondContact O-N 3.02Å; E411-Q413 VanDerWaalsContact O-N 3.09Å; E411-W414 PolarHBondContact O-N 2.82Å; E411-Y415 WeakPolarHBondContact O-CD1 3.33Å; E411-K503 WeakPolarHBondContact OE1-CE 3.38Å; E411-K503 IonicContact OE1-NZ 2.78Å; E411-K503 PolarHBondContact OE1-NZ 3.37Å |
| 412 | Y | 89.1 | Confident | 91.4 | Very high | 194 Ų | 194 | 57.5 Ų | 57.5 | 76% | 0.761 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -55.8 | -34.1 | -170.7 | -174.9 | -99.8 | 0 | 0 | 0 | 114.4 | W414 Y415 | Y412-W414 PolarHBondContact O-N 3.08Å; Y412-Y415 AromaticContact CD2-CD2 3.94Å; Y412-Y415 HydrophobicContact CD2-CD2 3.94Å; Y412-Y415 AromaticContact CD2-CE2 3.95Å; Y412-Y415 HydrophobicContact CD2-CE2 3.95Å; Y412-Y415 HydrophobicContact CD2-CG 4.4Å; Y412-Y415 HydrophobicContact CE2-CD2 4.19Å; Y412-Y415 HydrophobicContact CE2-CE2 4.4Å; Y412-Y415 WeakPolarHBondContact O-CB 3.36Å; Y412-Y415 PolarHBondContact O-N 3.01Å; Y412-Y415 VanDerWaalsContact O-N 3.16Å |
| 413 | Q | 87.4 | Confident | 91.5 | Very high | 131 Ų | 131 | 57.5 Ų | 57.5 | 61% | 0.612 | 28% | 0.278 | S | S | * | . | G | 310 helix | trans | -63.3 | -21.8 | 177.4 | 67.2 | 179.2 | 60.6 | 0 | 0 | 113.8 | E411 | E411-Q413 HydrophobicContact CB-CG 4.47Å; E411-Q413 PolarHBondContact O-N 3.02Å; E411-Q413 VanDerWaalsContact O-N 3.09Å |
| 414 | W | 90.1 | Very high | 91.8 | Very high | 111 Ų | 111 | 56.3 Ų | 56.3 | 42% | 0.42 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -98.8 | 8.8 | -179.8 | -61.7 | 115.9 | 0 | 0 | 0 | 112.6 | V410 E411 Y412 G416 F417 | V410-W414 HydrophobicContact CG1-CB 3.78Å; E411-W414 PolarHBondContact O-N 2.82Å; Y412-W414 PolarHBondContact O-N 3.08Å; W414-G416 PolarHBondContact O-N 3.43Å; W414-F417 HydrophobicContact CE3-CB 4.39Å; W414-F417 HydrophobicContact CE3-CD1 4.15Å; W414-F417 HydrophobicContact CE3-CD2 4.29Å; W414-F417 HydrophobicContact CE3-CE1 4.47Å; W414-F417 HydrophobicContact CE3-CG 4.04Å; W414-F417 HydrophobicContact CZ3-CD1 4.3Å; W414-F417 HydrophobicContact CZ3-CE1 4.36Å; W414-F417 WeakPolarHBondContact O-CB 3.11Å; W414-F417 PolarHBondContact O-N 3.23Å; W414-F417 VanDerWaalsContact O-N 3.12Å |
| 415 | Y | 94.2 | Very high | 92.3 | Very high | 46 Ų | 46 | 49.7 Ų | 49.7 | 18% | 0.18 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | 128.1 | 174.4 | -78.7 | 23.2 | 0 | 0 | 0 | 109.5 | V397 V399 V410 E411 Y412 | V397-Y415 HydrophobicContact CB-CD2 4.39Å; V397-Y415 HydrophobicContact CB-CE2 4.22Å; V397-Y415 HydrophobicContact CG1-CD2 4.11Å; V397-Y415 HydrophobicContact CG1-CE2 4.03Å; V399-Y415 HydrophobicContact CB-CD1 4Å; V399-Y415 HydrophobicContact CB-CE1 3.58Å; V399-Y415 HydrophobicContact CB-CE2 4.34Å; V399-Y415 HydrophobicContact CG2-CD1 3.83Å; V399-Y415 HydrophobicContact CG2-CD2 3.8Å; V399-Y415 HydrophobicContact CG2-CE1 3.73Å; V399-Y415 HydrophobicContact CG2-CE2 3.71Å; V399-Y415 HydrophobicContact CG2-CG 3.87Å; V399-Y415 PolarHBondContact N-OH 2.67Å; V410-Y415 HydrophobicContact CB-CE1 4.19Å; V410-Y415 HydrophobicContact CG1-CD1 4.22Å; V410-Y415 HydrophobicContact CG1-CE1 4.33Å; V410-Y415 WeakPolarHBondContact O-CE1 3.07Å; E411-Y415 WeakPolarHBondContact O-CD1 3.33Å; Y412-Y415 AromaticContact CD2-CD2 3.94Å; Y412-Y415 HydrophobicContact CD2-CD2 3.94Å; Y412-Y415 AromaticContact CD2-CE2 3.95Å; Y412-Y415 HydrophobicContact CD2-CE2 3.95Å; Y412-Y415 HydrophobicContact CD2-CG 4.4Å; Y412-Y415 HydrophobicContact CE2-CD2 4.19Å; Y412-Y415 HydrophobicContact CE2-CE2 4.4Å; Y412-Y415 WeakPolarHBondContact O-CB 3.36Å; Y412-Y415 PolarHBondContact O-N 3.01Å; Y412-Y415 VanDerWaalsContact O-N 3.16Å |
| 416 | G | 92.6 | Very high | 93 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 97.1 | -5.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | W414 F489 L493 V494 | W414-G416 PolarHBondContact O-N 3.43Å; G416-F489 VanDerWaalsContact N-CD1 3.32Å; G416-L493 CarbonylContact O-C 3.57Å; G416-L493 WeakPolarHBondContact O-CA 3.12Å; G416-V494 PolarHBondContact O-N 2.85Å |
| 417 | F | 94.7 | Very high | 93.3 | Very high | 17 Ų | 17 | 39.5 Ų | 39.5 | 8% | 0.075 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 110.7 | 178.7 | -66.3 | -107.4 | 0 | 0 | 0 | 110.2 | W414 V494 F496 L573 L574 | W414-F417 HydrophobicContact CE3-CB 4.39Å; W414-F417 HydrophobicContact CE3-CD1 4.15Å; W414-F417 HydrophobicContact CE3-CD2 4.29Å; W414-F417 HydrophobicContact CE3-CE1 4.47Å; W414-F417 HydrophobicContact CE3-CG 4.04Å; W414-F417 HydrophobicContact CZ3-CD1 4.3Å; W414-F417 HydrophobicContact CZ3-CE1 4.36Å; W414-F417 WeakPolarHBondContact O-CB 3.11Å; W414-F417 PolarHBondContact O-N 3.23Å; W414-F417 VanDerWaalsContact O-N 3.12Å; F417-V494 WeakPolarHBondContact CA-O 3.12Å; F417-V494 HydrophobicContact CD1-CB 4.12Å; F417-V494 HydrophobicContact CD1-CG1 4.45Å; F417-V494 HydrophobicContact CD1-CG2 4.49Å; F417-V494 HydrophobicContact CE1-CB 4.39Å; F417-V494 HydrophobicContact CE1-CG2 4.3Å; F417-F496 HydrophobicContact CB-CE2 4.21Å; F417-F496 AromaticContact CD1-CE2 3.81Å; F417-F496 HydrophobicContact CD1-CE2 3.81Å; F417-F496 AromaticContact CD1-CZ 3.99Å; F417-F496 HydrophobicContact CD1-CZ 3.99Å; F417-L573 HydrophobicContact CE2-CD2 4.04Å; F417-L573 HydrophobicContact CZ-CD2 3.87Å; F417-L573 HydrophobicContact CZ-CG 4.02Å; F417-L574 HydrophobicContact CD1-CD2 4.42Å; F417-L574 HydrophobicContact CE1-CD2 3.46Å; F417-L574 VanDerWaalsContact CE1-CD2 3.46Å; F417-L574 HydrophobicContact CZ-CD2 4.08Å |
| 418 | F | 95.8 | Very high | 93.4 | Very high | 2 Ų | 2 | 37.4 Ų | 37.4 | 1% | 0.009 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 134 | -177 | -66.6 | -93.9 | 0 | 0 | 0 | 110.4 | Y424 V426 W443 F485 F489 L493 V494 I495 F496 | F418-Y424 HydrophobicContact CB-CE2 4.37Å; F418-Y424 HydrophobicContact CD1-CD1 4.19Å; F418-Y424 AromaticContact CD1-CD2 3.56Å; F418-Y424 HydrophobicContact CD1-CD2 3.56Å; F418-Y424 HydrophobicContact CD1-CE2 4.02Å; F418-Y424 AromaticContact CD1-CG 3.66Å; F418-Y424 HydrophobicContact CD1-CG 3.66Å; F418-Y424 HydrophobicContact CE1-CD1 4.28Å; F418-Y424 HydrophobicContact CE1-CD2 4.2Å; F418-Y424 AromaticContact CE1-CG 3.84Å; F418-Y424 HydrophobicContact CE1-CG 3.84Å; F418-V426 HydrophobicContact CE1-CG2 4Å; F418-V426 HydrophobicContact CZ-CG2 3.91Å; F418-W443 HydrophobicContact CB-CD2 4.28Å; F418-W443 HydrophobicContact CB-CE3 4.29Å; F418-W443 HydrophobicContact CB-CH2 3.84Å; F418-W443 HydrophobicContact CB-CZ2 3.87Å; F418-W443 HydrophobicContact CB-CZ3 4.06Å; F418-W443 HydrophobicContact CD1-CB 4.28Å; F418-W443 AromaticContact CD1-CD2 3.8Å; F418-W443 HydrophobicContact CD1-CD2 3.8Å; F418-W443 AromaticContact CD1-CE3 3.96Å; F418-W443 HydrophobicContact CD1-CE3 3.96Å; F418-W443 AromaticContact CD1-CG 3.96Å; F418-W443 HydrophobicContact CD1-CG 3.96Å; F418-W443 HydrophobicContact CE1-CB 4.23Å; F418-W443 HydrophobicContact CE1-CG 4.3Å; F418-W443 HydrophobicContact CG-CD2 4.28Å; F418-F485 HydrophobicContact CD1-CZ 4.48Å; F418-F485 AromaticContact CE1-CZ 3.81Å; F418-F485 HydrophobicContact CE1-CZ 3.81Å; F418-F485 HydrophobicContact CE2-CE1 4.13Å; F418-F485 AromaticContact CE2-CZ 3.83Å; F418-F485 HydrophobicContact CE2-CZ 3.83Å; F418-F485 HydrophobicContact CZ-CE1 4.22Å; F418-F485 HydrophobicContact CZ-CE2 4.23Å; F418-F485 AromaticContact CZ-CZ 3.45Å; F418-F485 HydrophobicContact CZ-CZ 3.45Å; F418-F485 VanDerWaalsContact CZ-CZ 3.45Å; F418-F489 HydrophobicContact CE2-CD2 4.4Å; F418-F489 HydrophobicContact CE2-CE1 4.21Å; F418-F489 AromaticContact CE2-CE2 3.73Å; F418-F489 HydrophobicContact CE2-CE2 3.73Å; F418-F489 AromaticContact CE2-CZ 3.63Å; F418-F489 HydrophobicContact CE2-CZ 3.63Å; F418-F489 HydrophobicContact CZ-CE1 4.31Å; F418-F489 AromaticContact CZ-CE2 3.96Å; F418-F489 HydrophobicContact CZ-CE2 3.96Å; F418-F489 AromaticContact CZ-CZ 3.55Å; F418-F489 HydrophobicContact CZ-CZ 3.55Å; F418-L493 HydrophobicContact CD2-CD1 3.48Å; F418-L493 VanDerWaalsContact CD2-CD1 3.48Å; F418-L493 HydrophobicContact CE2-CD1 3.62Å; F418-V494 PolarHBondContact N-O 3.32Å; F418-I495 CarbonylContact O-C 3.55Å; F418-I495 WeakPolarHBondContact O-CA 3.35Å; F418-F496 WeakPolarHBondContact O-CD2 3.26Å; F418-F496 PolarHBondContact O-N 3.35Å |
| 419 | Y | 94.1 | Very high | 93.2 | Very high | 33 Ų | 33 | 36.4 Ų | 36.4 | 13% | 0.129 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 130.2 | 179.9 | -70.2 | -109.2 | 0 | 0 | 0 | 110.1 | G421 D422 Y424 W443 F496 G498 S501 | Y419-G421 PolarHBondContact O-N 2.98Å; Y419-G421 VanDerWaalsContact O-N 3.07Å; Y419-D422 PolarHBondContact O-N 2.96Å; Y419-Y424 WeakPolarHBondContact CD2-OH 3.39Å; Y419-Y424 PolarHBondContact N-OH 3.04Å; Y419-W443 WeakPolarHBondContact O-CZ3 3.27Å; Y419-F496 HydrophobicContact CD1-CB 3.84Å; Y419-F496 AromaticContact CD1-CD2 3.86Å; Y419-F496 HydrophobicContact CD1-CD2 3.86Å; Y419-F496 AromaticContact CD1-CG 3.94Å; Y419-F496 HydrophobicContact CD1-CG 3.94Å; Y419-F496 AromaticContact CD2-CD2 3.71Å; Y419-F496 HydrophobicContact CD2-CD2 3.71Å; Y419-F496 HydrophobicContact CD2-CE2 4.2Å; Y419-F496 HydrophobicContact CE1-CB 4.19Å; Y419-F496 HydrophobicContact CE1-CD1 4.36Å; Y419-F496 AromaticContact CE1-CD2 3.67Å; Y419-F496 HydrophobicContact CE1-CD2 3.67Å; Y419-F496 HydrophobicContact CE1-CE2 4.08Å; Y419-F496 AromaticContact CE1-CG 3.81Å; Y419-F496 HydrophobicContact CE1-CG 3.81Å; Y419-F496 AromaticContact CE2-CD2 3.46Å; Y419-F496 HydrophobicContact CE2-CD2 3.46Å; Y419-F496 VanDerWaalsContact CE2-CD2 3.46Å; Y419-F496 AromaticContact CE2-CE2 3.51Å; Y419-F496 HydrophobicContact CE2-CE2 3.51Å; Y419-F496 HydrophobicContact CE2-CG 4.42Å; Y419-F496 HydrophobicContact CE2-CZ 4.47Å; Y419-F496 HydrophobicContact CG-CB 4.2Å; Y419-F496 AromaticContact CG-CD2 3.89Å; Y419-F496 HydrophobicContact CG-CD2 3.89Å; Y419-F496 HydrophobicContact CG-CG 4.34Å; Y419-F496 AromaticContact CZ-CD2 3.47Å; Y419-F496 VanDerWaalsContact CZ-CD2 3.47Å; Y419-F496 AromaticContact CZ-CE2 3.47Å; Y419-F496 VanDerWaalsContact CZ-CE2 3.47Å; Y419-G498 WeakPolarHBondContact CD1-O 3.27Å; Y419-S501 VanDerWaalsContact CE2-CB 3.47Å |
| 420 | G | 89.4 | Confident | 92.7 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -15.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | G445 R446 H447 A448 F496 E497 | G420-G445 CarbonylContact O-C 3.55Å; G420-G445 WeakPolarHBondContact O-CA 3.49Å; G420-R446 PolarHBondContact O-N 3.15Å; G420-H447 CarbonylContact O-C 3.29Å; G420-H447 WeakPolarHBondContact O-CA 3.48Å; G420-H447 PolarHBondContact O-N 3.44Å; G420-A448 PolarHBondContact O-N 3.49Å; G420-A448 VanDerWaalsContact O-N 3.16Å; G420-F496 PolarHBondContact N-O 3.47Å; G420-E497 WeakPolarHBondContact CA-O 3.37Å |
| 421 | G | 89.8 | Confident | 92 | Very high | 16 Ų | 16 | 39.9 Ų | 39.9 | 17% | 0.165 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -2.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y419 G499 | Y419-G421 PolarHBondContact O-N 2.98Å; Y419-G421 VanDerWaalsContact O-N 3.07Å; G421-G499 VanDerWaalsContact CA-O 3.26Å; G421-G499 WeakPolarHBondContact CA-O 3.46Å; G421-G499 PolarHBondContact N-O 3.47Å |
| 422 | D | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -119.9 | 163.9 | -176.1 | -68 | -39.8 | 0 | 0 | 0 | 112.2 | R401 Y419 Y424 G445 T500 S501 R502 | R401-D422 WeakPolarHBondContact CD-OD2 3.22Å; R401-D422 HydrophobicContact CG-CB 4.24Å; Y419-D422 PolarHBondContact O-N 2.96Å; D422-Y424 HydrophobicContact CB-CD2 4.27Å; D422-Y424 HydrophobicContact CB-CE2 3.43Å; D422-Y424 VanDerWaalsContact CB-CE2 3.43Å; D422-Y424 PolarHBondContact OD2-OH 3.08Å; D422-G445 PolarHBondContact O-N 2.92Å; D422-G445 VanDerWaalsContact O-N 3.08Å; D422-T500 WeakPolarHBondContact OD1-CB 3.33Å; D422-T500 PolarHBondContact OD1-OG1 3.44Å; D422-T500 VanDerWaalsContact OD2-CA 3.23Å; D422-T500 WeakPolarHBondContact OD2-CA 3.18Å; D422-T500 PolarHBondContact OD2-OG1 3.38Å; D422-S501 PolarHBondContact OD2-N 3.3Å; D422-S501 PolarHBondContact OD2-OG 3.17Å; D422-R502 IonicContact OD1-CZ 2.74Å; D422-R502 IonicContact OD1-NE 3.85Å; D422-R502 PolarHBondContact OD1-NE 3.18Å; D422-R502 VanDerWaalsContact OD1-NE 3.15Å; D422-R502 IonicContact OD1-NH2 2.69Å; D422-R502 PolarHBondContact OD1-NH2 2.94Å |
| 423 | C | 93.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 143.1 | 165.5 | -67.1 | 0 | 0 | 0 | 0 | 110.8 | R401 I402 W443 A448 | R401-C423 WeakPolarHBondContact CA-O 3.24Å; I402-C423 HydrophobicContact CB-CB 4.24Å; I402-C423 HydrophobicContact CG1-CB 3.97Å; I402-C423 PolarHBondContact N-O 3.18Å; C423-W443 WeakPolarHBondContact CA-O 3.14Å; C423-A448 VanDerWaalsContact SG-CB 3.57Å |
| 424 | Y | 96.9 | Very high | 89.5 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 0% | 0.004 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 145.1 | -177.7 | -57.9 | -102.5 | 0 | 0 | 0 | 111.3 | V399 W400 R401 V410 F418 Y419 D422 W443 S501 | V399-Y424 HydrophobicContact CG1-CD1 4.34Å; W400-Y424 CarbonylContact O-C 3.56Å; W400-Y424 WeakPolarHBondContact O-CA 3.26Å; W400-Y424 WeakPolarHBondContact O-CB 3.49Å; R401-Y424 HydrophobicContact CB-CD1 3.97Å; R401-Y424 HydrophobicContact CB-CE1 3.97Å; R401-Y424 HydrophobicContact CG-CD1 4.37Å; R401-Y424 HydrophobicContact CG-CE1 4.07Å; V410-Y424 HydrophobicContact CG2-CD1 4.24Å; V410-Y424 HydrophobicContact CG2-CE1 4.32Å; F418-Y424 HydrophobicContact CB-CE2 4.37Å; F418-Y424 HydrophobicContact CD1-CD1 4.19Å; F418-Y424 AromaticContact CD1-CD2 3.56Å; F418-Y424 HydrophobicContact CD1-CD2 3.56Å; F418-Y424 HydrophobicContact CD1-CE2 4.02Å; F418-Y424 AromaticContact CD1-CG 3.66Å; F418-Y424 HydrophobicContact CD1-CG 3.66Å; F418-Y424 HydrophobicContact CE1-CD1 4.28Å; F418-Y424 HydrophobicContact CE1-CD2 4.2Å; F418-Y424 AromaticContact CE1-CG 3.84Å; F418-Y424 HydrophobicContact CE1-CG 3.84Å; Y419-Y424 WeakPolarHBondContact CD2-OH 3.39Å; Y419-Y424 PolarHBondContact N-OH 3.04Å; D422-Y424 HydrophobicContact CB-CD2 4.27Å; D422-Y424 HydrophobicContact CB-CE2 3.43Å; D422-Y424 VanDerWaalsContact CB-CE2 3.43Å; D422-Y424 PolarHBondContact OD2-OH 3.08Å; Y424-W443 AromaticContact CD2-CE3 3.64Å; Y424-W443 HydrophobicContact CD2-CE3 3.64Å; Y424-W443 HydrophobicContact CD2-CZ3 4.01Å; Y424-W443 HydrophobicContact CE2-CE3 4.12Å; Y424-W443 HydrophobicContact CE2-CZ3 4.01Å; Y424-W443 PolarHBondContact N-O 3.38Å; Y424-W443 PolarHBondContact O-N 2.85Å; Y424-S501 PolarHBondContact OH-OG 3.22Å |
| 425 | L | 96.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 126.4 | 166.7 | -81.2 | 69.2 | 0 | 0 | 0 | 108 | V399 W400 I402 L407 L440 Y441 Q459 A460 V463 | V399-L425 CarbonylContact C-O 3.56Å; V399-L425 WeakPolarHBondContact CA-O 3.42Å; W400-L425 HydrophobicContact CE3-CB 4.31Å; W400-L425 PolarHBondContact N-O 3.03Å; W400-L425 PolarHBondContact O-N 3.08Å; I402-L425 HydrophobicContact CD1-CD1 3.79Å; I402-L425 HydrophobicContact CG1-CD1 4.09Å; L407-L425 HydrophobicContact CD2-CB 4.34Å; L407-L425 HydrophobicContact CD2-CD1 4.09Å; L407-L425 HydrophobicContact CD2-CD2 3.77Å; L407-L425 HydrophobicContact CD2-CG 4.29Å; L425-L440 HydrophobicContact CB-CD1 4.14Å; L425-L440 HydrophobicContact CD2-CD1 4.35Å; L425-L440 HydrophobicContact CG-CD1 4.42Å; L425-Y441 CarbonylContact C-O 3.57Å; L425-Y441 WeakPolarHBondContact CA-O 3.32Å; L425-Q459 HydrophobicContact CD2-CB 4.12Å; L425-A460 HydrophobicContact CD2-CB 4.01Å; L425-V463 HydrophobicContact CD2-CG2 4.04Å |
| 426 | V | 96.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 104.2 | 176 | -177.7 | 0 | 0 | 0 | 0 | 107.9 | V397 E398 V399 F418 Y441 F485 F489 | V397-V426 HydrophobicContact CG1-CG1 3.71Å; E398-V426 CarbonylContact O-C 3.41Å; E398-V426 WeakPolarHBondContact O-CA 3.32Å; V399-V426 HydrophobicContact CG1-CG2 4.12Å; V399-V426 HydrophobicContact CG2-CG1 4.14Å; V399-V426 HydrophobicContact CG2-CG2 4.15Å; F418-V426 HydrophobicContact CE1-CG2 4Å; F418-V426 HydrophobicContact CZ-CG2 3.91Å; V426-Y441 PolarHBondContact N-O 2.74Å; V426-Y441 PolarHBondContact O-N 3.33Å; V426-F485 HydrophobicContact CB-CE2 4.44Å; V426-F485 HydrophobicContact CG2-CE2 4.01Å; V426-F489 HydrophobicContact CG1-CZ 4.38Å |
| 427 | L | 95.8 | Very high | 87.9 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 117.8 | 171.8 | -179.1 | 70.2 | 0 | 0 | 0 | 108.7 | V397 E398 W400 H438 I439 L440 F467 | V397-L427 CarbonylContact C-O 3.56Å; V397-L427 WeakPolarHBondContact CA-O 3.5Å; E398-L427 HydrophobicContact CB-CB 4.43Å; E398-L427 PolarHBondContact N-O 3.24Å; E398-L427 PolarHBondContact O-N 3.12Å; W400-L427 HydrophobicContact CH2-CB 3.96Å; W400-L427 HydrophobicContact CH2-CD2 4.09Å; W400-L427 HydrophobicContact CZ3-CB 3.51Å; W400-L427 HydrophobicContact CZ3-CD2 4.45Å; L427-H438 HydrophobicContact CD1-CB 4.13Å; L427-I439 CarbonylContact C-O 3.49Å; L427-I439 WeakPolarHBondContact CA-O 3.37Å; L427-L440 HydrophobicContact CB-CD1 4.12Å; L427-L440 HydrophobicContact CD1-CB 4.44Å; L427-L440 HydrophobicContact CD1-CD1 4.37Å; L427-F467 HydrophobicContact CD1-CE2 4.32Å; L427-F467 HydrophobicContact CD2-CE2 3.55Å; L427-F467 HydrophobicContact CD2-CZ 3.53Å |
| 428 | Y | 93.8 | Very high | 87.4 | Confident | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.8 | 175 | -177.3 | -110.3 | 0 | 0 | 0 | 109.6 | V390 D391 G393 S394 G395 K396 V397 Y430 H438 I439 H484 I488 | V390-Y428 HydrophobicContact CG2-CE1 4.37Å; D391-Y428 WeakPolarHBondContact OD1-CE1 3.3Å; D391-Y428 PolarHBondContact OD1-OH 3.42Å; D391-Y428 PolarHBondContact OD2-OH 2.92Å; G393-Y428 WeakPolarHBondContact CA-OH 3.22Å; S394-Y428 PolarHBondContact N-OH 2.73Å; S394-Y428 VanDerWaalsContact N-OH 3.1Å; G395-Y428 VanDerWaalsContact CA-CE2 3.5Å; G395-Y428 WeakPolarHBondContact CA-OH 3.36Å; G395-Y428 PolarHBondContact N-OH 3.01Å; K396-Y428 CarbonylContact O-C 3.49Å; K396-Y428 WeakPolarHBondContact O-CA 3.31Å; V397-Y428 HydrophobicContact CG2-CD2 3.8Å; V397-Y428 HydrophobicContact CG2-CE2 4.16Å; Y428-Y430 AromaticContact CD1-CD1 3.88Å; Y428-Y430 HydrophobicContact CD1-CD1 3.88Å; Y428-Y430 HydrophobicContact CD1-CG 4.39Å; Y428-Y430 AromaticContact CE1-CD1 3.91Å; Y428-Y430 HydrophobicContact CE1-CD1 3.91Å; Y428-Y430 AromaticContact CE1-CG 3.95Å; Y428-Y430 HydrophobicContact CE1-CG 3.95Å; Y428-H438 CarbonylContact O-C 3.15Å; Y428-H438 VanDerWaalsContact O-CA 3.31Å; Y428-H438 WeakPolarHBondContact O-CA 3.48Å; Y428-I439 PolarHBondContact N-O 3.34Å; Y428-I439 PolarHBondContact O-N 2.78Å; Y428-H484 AromaticContact CD1-CE1 3.53Å; Y428-H484 AromaticContact CE1-CE1 3.44Å; Y428-H484 VanDerWaalsContact CE1-CE1 3.44Å; Y428-H484 WeakPolarHBondContact CE1-CE1 3.4Å; Y428-H484 AromaticContact CE1-NE2 3.56Å; Y428-I488 HydrophobicContact CD2-CD1 3.94Å; Y428-I488 HydrophobicContact CD2-CG1 3.93Å; Y428-I488 HydrophobicContact CE2-CD1 4.47Å; Y428-I488 HydrophobicContact CE2-CG1 4Å; Y428-I488 HydrophobicContact CG-CD1 3.97Å; Y428-I488 HydrophobicContact CG-CG1 4.37Å |
| 429 | T | 91.3 | Very high | 86.9 | Confident | 27 Ų | 27 | 41 Ų | 41 | 17% | 0.166 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 120.8 | 177.6 | -57.1 | 0 | 0 | 0 | 0 | 109.6 | G395 K396 P436 H437 H438 | G395-T429 CarbonylContact C-O 3.09Å; G395-T429 VanDerWaalsContact CA-O 3.29Å; G395-T429 WeakPolarHBondContact CA-O 3.36Å; K396-T429 PolarHBondContact N-O 2.78Å; K396-T429 PolarHBondContact O-N 2.93Å; T429-P436 HydrophobicContact CG2-CB 4.2Å; T429-H437 VanDerWaalsContact CA-O 3.31Å; T429-H437 WeakPolarHBondContact CA-O 3.35Å; T429-H438 VanDerWaalsContact CG2-CE1 3.47Å; T429-H438 WeakPolarHBondContact CG2-CE1 3.4Å; T429-H438 PolarHBondContact OG1-ND1 2.9Å |
| 430 | Y | 86.1 | Confident | 86.6 | Confident | 31 Ų | 31 | 39.4 Ų | 39.4 | 12% | 0.122 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 159.7 | -179.9 | 67.4 | -69.8 | 0 | 0 | 0 | 110.1 | V390 D391 Y428 V432 P436 H437 I439 | V390-Y430 HydrophobicContact CB-CE2 4.03Å; V390-Y430 HydrophobicContact CG2-CD1 4.34Å; V390-Y430 HydrophobicContact CG2-CD2 4.38Å; V390-Y430 HydrophobicContact CG2-CE1 4.09Å; V390-Y430 HydrophobicContact CG2-CE2 4.09Å; D391-Y430 VanDerWaalsContact OD2-CB 3.23Å; D391-Y430 WeakPolarHBondContact OD2-CB 3.35Å; Y428-Y430 AromaticContact CD1-CD1 3.88Å; Y428-Y430 HydrophobicContact CD1-CD1 3.88Å; Y428-Y430 HydrophobicContact CD1-CG 4.39Å; Y428-Y430 AromaticContact CE1-CD1 3.91Å; Y428-Y430 HydrophobicContact CE1-CD1 3.91Å; Y428-Y430 AromaticContact CE1-CG 3.95Å; Y428-Y430 HydrophobicContact CE1-CG 3.95Å; Y430-V432 HydrophobicContact CD2-CG2 3.68Å; Y430-V432 HydrophobicContact CE2-CG2 3.37Å; Y430-P436 CarbonylContact O-C 3.38Å; Y430-H437 HydrophobicContact CD1-CB 4Å; Y430-H437 WeakPolarHBondContact CD1-O 3.49Å; Y430-H437 HydrophobicContact CE1-CB 3.45Å; Y430-H437 VanDerWaalsContact CE1-CB 3.45Å; Y430-H437 HydrophobicContact CE2-CB 4.09Å; Y430-H437 HydrophobicContact CG-CB 4.48Å; Y430-H437 PolarHBondContact N-O 2.8Å; Y430-H437 PolarHBondContact O-N 2.76Å; Y430-I439 HydrophobicContact CE1-CD1 4.03Å; Y430-I439 HydrophobicContact CE1-CG1 3.83Å |
| 431 | E | 79.9 | Confident | 86.6 | Confident | 142 Ų | 142 | 39.9 Ų | 39.9 | 66% | 0.664 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -109.1 | 129.4 | -175.4 | -161.5 | -178.9 | 134.5 | 0 | 0 | 110.6 | G434 | E431-G434 WeakPolarHBondContact OE1-CA 3.47Å |
| 432 | V | 70.1 | Confident | 86.5 | Confident | 55 Ų | 55 | 39.8 Ų | 39.8 | 33% | 0.333 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 118 | 173.1 | -176 | 0 | 0 | 0 | 0 | 107.8 | Y430 G434 K435 | Y430-V432 HydrophobicContact CD2-CG2 3.68Å; Y430-V432 HydrophobicContact CE2-CG2 3.37Å; V432-G434 VanDerWaalsContact C-N 3.32Å; V432-G434 PolarHBondContact O-N 2.72Å; V432-K435 PolarHBondContact N-O 2.77Å; V432-K435 PolarHBondContact O-N 2.95Å |
| 433 | N | 73.7 | Confident | 86.6 | Confident | 160 Ų | 160 | 39.8 Ų | 39.8 | 86% | 0.856 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.4 | 42.6 | 178.8 | -60.3 | -42 | 0 | 0 | 0 | 114.2 | K435 | N433-K435 VanDerWaalsContact C-N 3.29Å; N433-K435 PolarHBondContact O-N 2.82Å |
| 434 | G | 71.7 | Confident | 86.2 | Confident | 56 Ų | 56 | 40.3 Ų | 40.3 | 58% | 0.577 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 82.3 | 1.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | E431 V432 | E431-G434 WeakPolarHBondContact OE1-CA 3.47Å; V432-G434 VanDerWaalsContact C-N 3.32Å; V432-G434 PolarHBondContact O-N 2.72Å |
| 435 | K | 77.6 | Confident | 85.7 | Confident | 144 Ų | 144 | 40.5 Ų | 40.5 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 129.5 | -177.5 | -66.4 | -173.7 | 179.6 | -176.7 | 0 | 111.6 | V432 N433 H437 | V432-K435 PolarHBondContact N-O 2.77Å; V432-K435 PolarHBondContact O-N 2.95Å; N433-K435 VanDerWaalsContact C-N 3.29Å; N433-K435 PolarHBondContact O-N 2.82Å; K435-H437 PolarHBondContact O-ND1 2.82Å |
| 436 | P | 84 | Confident | 85 | Confident | 87 Ų | 87 | 44.1 Ų | 44.1 | 57% | 0.565 | 23% | 0.234 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -68.5 | 136.4 | 174.2 | 29.6 | -33.7 | 0 | 0 | 0 | 110.2 | T429 Y430 | T429-P436 HydrophobicContact CG2-CB 4.2Å; Y430-P436 CarbonylContact O-C 3.38Å |
| 437 | H | 81.1 | Confident | 84.3 | Confident | 74 Ų | 74 | 48.7 Ų | 48.7 | 34% | 0.343 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 150.9 | 172.1 | -69.2 | 73.3 | 0 | 0 | 0 | 108.4 | T429 Y430 K435 | T429-H437 VanDerWaalsContact CA-O 3.31Å; T429-H437 WeakPolarHBondContact CA-O 3.35Å; Y430-H437 HydrophobicContact CD1-CB 4Å; Y430-H437 WeakPolarHBondContact CD1-O 3.49Å; Y430-H437 HydrophobicContact CE1-CB 3.45Å; Y430-H437 VanDerWaalsContact CE1-CB 3.45Å; Y430-H437 HydrophobicContact CE2-CB 4.09Å; Y430-H437 HydrophobicContact CG-CB 4.48Å; Y430-H437 PolarHBondContact N-O 2.8Å; Y430-H437 PolarHBondContact O-N 2.76Å; K435-H437 PolarHBondContact O-ND1 2.82Å |
| 438 | H | 84.8 | Confident | 83.7 | Confident | 27 Ų | 27 | 49 Ų | 49 | 13% | 0.125 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 136.5 | -171.5 | -54.4 | -74 | 0 | 0 | 0 | 110.8 | L427 Y428 T429 F467 A471 V472 | L427-H438 HydrophobicContact CD1-CB 4.13Å; Y428-H438 CarbonylContact O-C 3.15Å; Y428-H438 VanDerWaalsContact O-CA 3.31Å; Y428-H438 WeakPolarHBondContact O-CA 3.48Å; T429-H438 VanDerWaalsContact CG2-CE1 3.47Å; T429-H438 WeakPolarHBondContact CG2-CE1 3.4Å; T429-H438 PolarHBondContact OG1-ND1 2.9Å; H438-F467 AromaticContact CD2-CD1 3.74Å; H438-F467 AromaticContact CE1-CD1 3.7Å; H438-F467 AromaticContact CE1-CE1 3.66Å; H438-F467 AromaticContact NE2-CD1 3.49Å; H438-F467 WeakPolarHBondContact NE2-CD1 3.1Å; H438-F467 AromaticContact NE2-CE1 3.93Å; H438-A471 HydrophobicContact CB-CB 3.81Å; H438-A471 WeakPolarHBondContact O-CA 3.24Å; H438-V472 PolarHBondContact O-N 3.05Å |
| 439 | I | 84.3 | Confident | 83 | Confident | 5 Ų | 5 | 51.1 Ų | 51.1 | 3% | 0.026 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 129.5 | 167.4 | -56.2 | -177.2 | 0 | 0 | 0 | 107.5 | V390 L427 Y428 Y430 Y441 V472 V474 | V390-I439 HydrophobicContact CB-CD1 4.07Å; V390-I439 HydrophobicContact CG1-CD1 3.71Å; V390-I439 HydrophobicContact CG2-CD1 3.31Å; L427-I439 CarbonylContact C-O 3.49Å; L427-I439 WeakPolarHBondContact CA-O 3.37Å; Y428-I439 PolarHBondContact N-O 3.34Å; Y428-I439 PolarHBondContact O-N 2.78Å; Y430-I439 HydrophobicContact CE1-CD1 4.03Å; Y430-I439 HydrophobicContact CE1-CG1 3.83Å; I439-Y441 HydrophobicContact CB-CE2 4.23Å; I439-Y441 HydrophobicContact CG2-CD2 3.87Å; I439-Y441 HydrophobicContact CG2-CE1 4.29Å; I439-Y441 HydrophobicContact CG2-CE2 3.48Å; I439-Y441 VanDerWaalsContact CG2-CE2 3.48Å; I439-Y441 HydrophobicContact CG2-CG 4.4Å; I439-V472 CarbonylContact C-O 3.05Å; I439-V472 WeakPolarHBondContact CA-O 3.37Å; I439-V472 HydrophobicContact CG1-CB 4.33Å; I439-V472 WeakPolarHBondContact CG2-O 3.44Å; I439-V474 HydrophobicContact CG2-CG2 3.92Å |
| 440 | L | 87.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 103 | 175.1 | -176.9 | 60.1 | 0 | 0 | 0 | 109.1 | L425 L427 A460 V463 A471 V472 Q473 V474 | L425-L440 HydrophobicContact CB-CD1 4.14Å; L425-L440 HydrophobicContact CD2-CD1 4.35Å; L425-L440 HydrophobicContact CG-CD1 4.42Å; L427-L440 HydrophobicContact CB-CD1 4.12Å; L427-L440 HydrophobicContact CD1-CB 4.44Å; L427-L440 HydrophobicContact CD1-CD1 4.37Å; L440-A460 HydrophobicContact CD2-CB 3.82Å; L440-A460 VanDerWaalsContact CD2-O 3.25Å; L440-A460 WeakPolarHBondContact CD2-O 3.16Å; L440-V463 HydrophobicContact CD1-CG1 4.1Å; L440-V463 HydrophobicContact CD2-CB 3.94Å; L440-V463 HydrophobicContact CD2-CG1 3.93Å; L440-A471 HydrophobicContact CB-CB 4.42Å; L440-V472 PolarHBondContact N-O 3.26Å; L440-Q473 HydrophobicContact CB-CG 4.46Å; L440-Q473 CarbonylContact O-C 3.09Å; L440-Q473 WeakPolarHBondContact O-CA 3.45Å; L440-V474 PolarHBondContact O-N 2.82Å |
| 441 | Y | 89.4 | Confident | 81.7 | Confident | 11 Ų | 11 | 57.5 Ų | 57.5 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81 | 132 | 172.1 | -67.6 | -81.8 | 0 | 0 | 0 | 110.4 | L425 V426 I439 V474 V476 P482 H484 F485 I488 | L425-Y441 CarbonylContact C-O 3.57Å; L425-Y441 WeakPolarHBondContact CA-O 3.32Å; V426-Y441 PolarHBondContact N-O 2.74Å; V426-Y441 PolarHBondContact O-N 3.33Å; I439-Y441 HydrophobicContact CB-CE2 4.23Å; I439-Y441 HydrophobicContact CG2-CD2 3.87Å; I439-Y441 HydrophobicContact CG2-CE1 4.29Å; I439-Y441 HydrophobicContact CG2-CE2 3.48Å; I439-Y441 VanDerWaalsContact CG2-CE2 3.48Å; I439-Y441 HydrophobicContact CG2-CG 4.4Å; Y441-V474 CarbonylContact C-O 3.51Å; Y441-V474 VanDerWaalsContact CA-O 3.29Å; Y441-V474 WeakPolarHBondContact CA-O 3.36Å; Y441-V474 HydrophobicContact CD1-CB 3.6Å; Y441-V474 HydrophobicContact CD1-CG1 3.78Å; Y441-V474 HydrophobicContact CD1-CG2 4.4Å; Y441-V474 HydrophobicContact CE1-CB 3.71Å; Y441-V474 HydrophobicContact CE1-CG1 3.67Å; Y441-V474 HydrophobicContact CE1-CG2 4.12Å; Y441-V474 HydrophobicContact CG-CB 4.49Å; Y441-V476 HydrophobicContact CD1-CG2 3.62Å; Y441-V476 HydrophobicContact CE1-CG2 4.33Å; Y441-P482 HydrophobicContact CE1-CG 4Å; Y441-H484 AromaticContact CE2-ND1 3.8Å; Y441-H484 AromaticContact CZ-ND1 3.66Å; Y441-H484 PolarHBondContact OH-ND1 2.84Å; Y441-F485 HydrophobicContact CD1-CB 4.44Å; Y441-F485 AromaticContact CD1-CD2 3.84Å; Y441-F485 HydrophobicContact CD1-CD2 3.84Å; Y441-F485 AromaticContact CD2-CD2 3.93Å; Y441-F485 HydrophobicContact CD2-CD2 3.93Å; Y441-F485 HydrophobicContact CE1-CB 4.17Å; Y441-F485 HydrophobicContact CE1-CD2 4.35Å; Y441-F485 HydrophobicContact CE2-CD2 4.43Å; Y441-F485 AromaticContact CG-CD2 3.61Å; Y441-F485 HydrophobicContact CG-CD2 3.61Å; Y441-F485 HydrophobicContact CG-CE2 4.18Å; Y441-I488 HydrophobicContact CD2-CD1 4.13Å; Y441-I488 HydrophobicContact CE2-CD1 3.69Å |
| 442 | I | 88.9 | Confident | 81.6 | Confident | 13 Ų | 13 | 51.2 Ų | 51.2 | 7% | 0.067 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 89.9 | 175.1 | -48 | 168.8 | 0 | 0 | 0 | 106.2 | Q444 A460 V474 V476 | I442-Q444 HydrophobicContact CG2-CG 4.37Å; I442-A460 HydrophobicContact CD1-CB 3.43Å; I442-A460 VanDerWaalsContact CD1-CB 3.43Å; I442-A460 HydrophobicContact CG1-CB 3.75Å; I442-V474 PolarHBondContact N-O 3.4Å; I442-V476 PolarHBondContact O-N 3.33Å |
| 443 | W | 93.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 128.5 | -180 | -170.1 | 98.9 | 0 | 0 | 0 | 109.8 | F418 Y419 C423 Y424 V476 M478 E481 F485 I495 | F418-W443 HydrophobicContact CB-CD2 4.28Å; F418-W443 HydrophobicContact CB-CE3 4.29Å; F418-W443 HydrophobicContact CB-CH2 3.84Å; F418-W443 HydrophobicContact CB-CZ2 3.87Å; F418-W443 HydrophobicContact CB-CZ3 4.06Å; F418-W443 HydrophobicContact CD1-CB 4.28Å; F418-W443 AromaticContact CD1-CD2 3.8Å; F418-W443 HydrophobicContact CD1-CD2 3.8Å; F418-W443 AromaticContact CD1-CE3 3.96Å; F418-W443 HydrophobicContact CD1-CE3 3.96Å; F418-W443 AromaticContact CD1-CG 3.96Å; F418-W443 HydrophobicContact CD1-CG 3.96Å; F418-W443 HydrophobicContact CE1-CB 4.23Å; F418-W443 HydrophobicContact CE1-CG 4.3Å; F418-W443 HydrophobicContact CG-CD2 4.28Å; Y419-W443 WeakPolarHBondContact O-CZ3 3.27Å; C423-W443 WeakPolarHBondContact CA-O 3.14Å; Y424-W443 AromaticContact CD2-CE3 3.64Å; Y424-W443 HydrophobicContact CD2-CE3 3.64Å; Y424-W443 HydrophobicContact CD2-CZ3 4.01Å; Y424-W443 HydrophobicContact CE2-CE3 4.12Å; Y424-W443 HydrophobicContact CE2-CZ3 4.01Å; Y424-W443 PolarHBondContact N-O 3.38Å; Y424-W443 PolarHBondContact O-N 2.85Å; W443-V476 CarbonylContact C-O 3.27Å; W443-V476 WeakPolarHBondContact CA-O 3.35Å; W443-M478 HydrophobicContact CH2-CB 3.94Å; W443-M478 HydrophobicContact CH2-CG 4.09Å; W443-M478 HydrophobicContact CH2-SD 4.21Å; W443-M478 HydrophobicContact CZ2-CB 3.59Å; W443-M478 HydrophobicContact CZ2-CG 3.78Å; W443-M478 HydrophobicContact CZ2-SD 4.47Å; W443-E481 PolarHBondContact NE1-OE1 2.99Å; W443-F485 HydrophobicContact CB-CE2 4.46Å; W443-F485 HydrophobicContact CB-CZ 4.19Å; W443-F485 AromaticContact CD1-CE1 3.82Å; W443-F485 AromaticContact CD1-CZ 3.61Å; W443-F485 HydrophobicContact CG-CZ 4.1Å; W443-I495 HydrophobicContact CH2-CG2 4.29Å; W443-I495 HydrophobicContact CZ2-CG2 3.9Å |
| 444 | Q | 86.1 | Confident | 81.6 | Confident | 11 Ų | 11 | 45.5 Ų | 45.5 | 5% | 0.051 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 115.7 | -174.3 | -66.7 | -176.2 | -25.3 | 0 | 0 | 110.6 | I442 L453 S456 V476 M478 | I442-Q444 HydrophobicContact CG2-CG 4.37Å; Q444-L453 HydrophobicContact CB-CD2 3.7Å; Q444-L453 HydrophobicContact CG-CD2 3.77Å; Q444-S456 PolarHBondContact NE2-OG 2.9Å; Q444-S456 VanDerWaalsContact NE2-OG 3.16Å; Q444-V476 PolarHBondContact N-O 2.85Å; Q444-M478 PolarHBondContact O-N 3.24Å |
| 445 | G | 85.6 | Confident | 81.6 | Confident | 5 Ų | 5 | 43.2 Ų | 43.2 | 5% | 0.052 | 23% | 0.227 | C | C | . | . | trans | -65.3 | 146.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | G420 D422 H447 A448 | G420-G445 CarbonylContact O-C 3.55Å; G420-G445 WeakPolarHBondContact O-CA 3.49Å; D422-G445 PolarHBondContact O-N 2.92Å; D422-G445 VanDerWaalsContact O-N 3.08Å; G445-H447 VanDerWaalsContact C-N 3.26Å; G445-H447 PolarHBondContact O-N 2.85Å; G445-A448 WeakPolarHBondContact O-CB 3.29Å; G445-A448 PolarHBondContact O-N 2.94Å | ||
| 446 | R | 81.5 | Confident | 81.7 | Confident | 77 Ų | 77 | 36.4 Ų | 36.4 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -32.8 | -179.3 | -177.1 | -177.4 | -69 | 164.3 | 2.8 | 112.7 | G420 M478 E497 D712 | G420-R446 PolarHBondContact O-N 3.15Å; R446-M478 HydrophobicContact CB-CB 4.49Å; R446-M478 HydrophobicContact CB-SD 3.77Å; R446-E497 IonicContact NH1-OE1 3.42Å; R446-D712 IonicContact NH1-OD2 3.17Å; R446-D712 PolarHBondContact NH1-OD2 3.24Å |
| 447 | H | 82.8 | Confident | 81.1 | Confident | 95 Ų | 95 | 33.9 Ų | 33.9 | 44% | 0.44 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 8.6 | -177.9 | -49.4 | -69 | 0 | 0 | 0 | 113.2 | G420 G445 E497 | G420-H447 CarbonylContact O-C 3.29Å; G420-H447 WeakPolarHBondContact O-CA 3.48Å; G420-H447 PolarHBondContact O-N 3.44Å; G445-H447 VanDerWaalsContact C-N 3.26Å; G445-H447 PolarHBondContact O-N 2.85Å; H447-E497 PolarHBondContact CD2-O 3.38Å; H447-E497 IonicContact CD2-OE1 3.03Å; H447-E497 IonicContact CE1-OE1 2.58Å; H447-E497 PolarHBondContact NE2-O 2.83Å; H447-E497 IonicContact NE2-OE1 3.54Å; H447-E497 PolarHBondContact NE2-OE1 3.09Å |
| 448 | A | 83 | Confident | 80.7 | Confident | 8 Ų | 8 | 36.9 Ų | 36.9 | 7% | 0.066 | 19% | 0.194 | C | C | . | . | trans | -63.6 | 142.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111 | G420 C423 G445 L453 | G420-A448 PolarHBondContact O-N 3.49Å; G420-A448 VanDerWaalsContact O-N 3.16Å; C423-A448 VanDerWaalsContact SG-CB 3.57Å; G445-A448 WeakPolarHBondContact O-CB 3.29Å; G445-A448 PolarHBondContact O-N 2.94Å; A448-L453 HydrophobicContact CB-CD2 4.25Å; A448-L453 HydrophobicContact CB-CG 4.37Å | ||
| 449 | S | 80.5 | Confident | 80.5 | Confident | 45 Ų | 45 | 37 Ų | 37 | 32% | 0.315 | 20% | 0.195 | S | C | . | . | trans | -71.1 | 155.7 | -178.3 | 65.9 | 0 | 0 | 0 | 0 | 111.8 | D451 E452 L453 | S449-D451 VanDerWaalsContact C-N 3.31Å; S449-D451 WeakPolarHBondContact CB-OD1 3.31Å; S449-D451 PolarHBondContact O-N 3.28Å; S449-D451 PolarHBondContact OG-OD1 3.48Å; S449-E452 PolarHBondContact O-N 3.09Å; S449-E452 VanDerWaalsContact O-N 3.13Å; S449-E452 VanDerWaalsContact OG-CG 3.31Å; S449-E452 WeakPolarHBondContact OG-CG 3.47Å; S449-L453 WeakPolarHBondContact O-CG 3.46Å; S449-L453 PolarHBondContact O-N 3.05Å | ||
| 450 | Q | 74.9 | Confident | 80.2 | Confident | 105 Ų | 105 | 36.8 Ų | 36.8 | 49% | 0.491 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -64.3 | -36.2 | -174.6 | -70 | -63.2 | -50.3 | 0 | 0 | 113.1 | E452 L453 A454 | Q450-E452 VanDerWaalsContact C-N 3.32Å; Q450-L453 PolarHBondContact O-N 3.23Å; Q450-A454 WeakPolarHBondContact O-CB 3.37Å; Q450-A454 PolarHBondContact O-N 3.22Å |
| 451 | D | 73.6 | Confident | 79.7 | Confident | 88 Ų | 88 | 39.1 Ų | 39.1 | 47% | 0.471 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -63.9 | -36.9 | 174.2 | 58.6 | -42.1 | 0 | 0 | 0 | 111.6 | L405 S449 A454 A455 | L405-D451 HydrophobicContact CD2-CB 3.92Å; L405-D451 WeakPolarHBondContact CD2-O 3.31Å; S449-D451 VanDerWaalsContact C-N 3.31Å; S449-D451 WeakPolarHBondContact CB-OD1 3.31Å; S449-D451 PolarHBondContact O-N 3.28Å; S449-D451 PolarHBondContact OG-OD1 3.48Å; D451-A454 PolarHBondContact O-N 3.18Å; D451-A455 VanDerWaalsContact O-CB 3.27Å; D451-A455 WeakPolarHBondContact O-CB 3.36Å; D451-A455 PolarHBondContact O-N 3.39Å |
| 452 | E | 79.2 | Confident | 79.3 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 4% | 0.042 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -74.5 | -36.8 | 175.2 | -70.8 | -175.4 | 169.7 | 0 | 0 | 113.3 | I402 S449 Q450 A454 A455 S456 R502 | I402-E452 HydrophobicContact CG2-CB 4.3Å; I402-E452 HydrophobicContact CG2-CG 4.16Å; S449-E452 PolarHBondContact O-N 3.09Å; S449-E452 VanDerWaalsContact O-N 3.13Å; S449-E452 VanDerWaalsContact OG-CG 3.31Å; S449-E452 WeakPolarHBondContact OG-CG 3.47Å; Q450-E452 VanDerWaalsContact C-N 3.32Å; E452-A454 VanDerWaalsContact C-N 3.3Å; E452-A454 PolarHBondContact O-N 3.12Å; E452-A455 PolarHBondContact O-N 2.83Å; E452-S456 WeakPolarHBondContact O-CB 3.16Å; E452-S456 PolarHBondContact O-N 2.75Å; E452-R502 IonicContact OE1-CZ 2.77Å; E452-R502 IonicContact OE1-NH1 3.72Å; E452-R502 PolarHBondContact OE1-NH1 3.08Å; E452-R502 IonicContact OE1-NH2 3.87Å; E452-R502 PolarHBondContact OE1-NH2 3.49Å; E452-R502 IonicContact OE2-CZ 3.84Å; E452-R502 IonicContact OE2-NH2 3.09Å; E452-R502 PolarHBondContact OE2-NH2 3Å |
| 453 | L | 74.5 | Confident | 79.1 | Confident | 31 Ų | 31 | 41 Ų | 41 | 16% | 0.162 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.5 | -44 | 170.8 | -68.8 | 171.1 | 0 | 0 | 0 | 110.6 | Q444 A448 S449 Q450 S456 A457 | Q444-L453 HydrophobicContact CB-CD2 3.7Å; Q444-L453 HydrophobicContact CG-CD2 3.77Å; A448-L453 HydrophobicContact CB-CD2 4.25Å; A448-L453 HydrophobicContact CB-CG 4.37Å; S449-L453 WeakPolarHBondContact O-CG 3.46Å; S449-L453 PolarHBondContact O-N 3.05Å; Q450-L453 PolarHBondContact O-N 3.23Å; L453-S456 PolarHBondContact O-OG 2.86Å; L453-A457 PolarHBondContact O-N 2.92Å |
| 454 | A | 68.3 | Low | 78.2 | Confident | 64 Ų | 64 | 42 Ų | 42 | 53% | 0.529 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -66.6 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q450 D451 E452 S456 A457 Y458 | Q450-A454 WeakPolarHBondContact O-CB 3.37Å; Q450-A454 PolarHBondContact O-N 3.22Å; D451-A454 PolarHBondContact O-N 3.18Å; E452-A454 VanDerWaalsContact C-N 3.3Å; E452-A454 PolarHBondContact O-N 3.12Å; A454-S456 VanDerWaalsContact C-N 3.34Å; A454-S456 PolarHBondContact O-N 2.94Å; A454-A457 PolarHBondContact O-N 2.98Å; A454-Y458 PolarHBondContact O-N 3.38Å |
| 455 | A | 70.9 | Confident | 77.8 | Confident | 9 Ų | 9 | 49.3 Ų | 49.3 | 7% | 0.074 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63.2 | -38.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I402 L405 D451 E452 A457 Y458 Q459 | I402-A455 HydrophobicContact CG2-CB 3.89Å; L405-A455 HydrophobicContact CB-CB 3.93Å; L405-A455 HydrophobicContact CD2-CB 3.73Å; L405-A455 HydrophobicContact CG-CB 4.43Å; D451-A455 VanDerWaalsContact O-CB 3.27Å; D451-A455 WeakPolarHBondContact O-CB 3.36Å; D451-A455 PolarHBondContact O-N 3.39Å; E452-A455 PolarHBondContact O-N 2.83Å; A455-A457 VanDerWaalsContact C-N 3.3Å; A455-A457 PolarHBondContact O-N 3.04Å; A455-Y458 PolarHBondContact O-N 2.72Å; A455-Q459 WeakPolarHBondContact O-CB 3.47Å; A455-Q459 VanDerWaalsContact O-CG 3.24Å; A455-Q459 WeakPolarHBondContact O-CG 3.49Å; A455-Q459 PolarHBondContact O-N 2.99Å |
| 456 | S | 80.6 | Confident | 77.9 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -40.8 | 176.4 | 74.5 | 0 | 0 | 0 | 0 | 112.2 | Q444 E452 L453 A454 A460 | Q444-S456 PolarHBondContact NE2-OG 2.9Å; Q444-S456 VanDerWaalsContact NE2-OG 3.16Å; E452-S456 WeakPolarHBondContact O-CB 3.16Å; E452-S456 PolarHBondContact O-N 2.75Å; L453-S456 PolarHBondContact O-OG 2.86Å; A454-S456 VanDerWaalsContact C-N 3.34Å; A454-S456 PolarHBondContact O-N 2.94Å; S456-A460 VanDerWaalsContact O-CB 3.3Å; S456-A460 WeakPolarHBondContact O-CB 3.44Å; S456-A460 PolarHBondContact O-N 2.94Å |
| 457 | A | 70.4 | Confident | 77.9 | Confident | 35 Ų | 35 | 54.2 Ų | 54.2 | 29% | 0.289 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -69.3 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L453 A454 A455 A460 V461 | L453-A457 PolarHBondContact O-N 2.92Å; A454-A457 PolarHBondContact O-N 2.98Å; A455-A457 VanDerWaalsContact C-N 3.3Å; A455-A457 PolarHBondContact O-N 3.04Å; A457-A460 PolarHBondContact O-N 2.9Å; A457-V461 PolarHBondContact O-N 2.81Å |
| 458 | Y | 72.7 | Confident | 77.7 | Confident | 137 Ų | 137 | 57.5 Ų | 57.5 | 54% | 0.537 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 177.1 | 179.7 | -94.3 | 0 | 0 | 0 | 112.1 | A454 A455 A460 V461 E462 | A454-Y458 PolarHBondContact O-N 3.38Å; A455-Y458 PolarHBondContact O-N 2.72Å; Y458-A460 VanDerWaalsContact C-N 3.26Å; Y458-A460 PolarHBondContact O-N 2.78Å; Y458-V461 WeakPolarHBondContact O-CB 3.25Å; Y458-V461 PolarHBondContact O-N 3.49Å; Y458-E462 PolarHBondContact O-N 3.46Å |
| 459 | Q | 82.5 | Confident | 77 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 14% | 0.14 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.9 | -33.4 | 179.4 | -68.3 | -63.5 | -12.8 | 0 | 0 | 111.5 | I402 L405 L407 L425 A455 V461 E462 V463 | I402-Q459 HydrophobicContact CD1-CB 3.94Å; I402-Q459 HydrophobicContact CD1-CG 3.77Å; L405-Q459 PolarHBondContact O-NE2 2.98Å; L407-Q459 HydrophobicContact CD1-CB 4.03Å; L407-Q459 HydrophobicContact CD1-CG 4.47Å; L407-Q459 HydrophobicContact CD2-CB 3.9Å; L407-Q459 HydrophobicContact CD2-CG 4.29Å; L407-Q459 HydrophobicContact CG-CB 3.84Å; L407-Q459 HydrophobicContact CG-CG 3.93Å; L425-Q459 HydrophobicContact CD2-CB 4.12Å; A455-Q459 WeakPolarHBondContact O-CB 3.47Å; A455-Q459 VanDerWaalsContact O-CG 3.24Å; A455-Q459 WeakPolarHBondContact O-CG 3.49Å; A455-Q459 PolarHBondContact O-N 2.99Å; Q459-V461 VanDerWaalsContact C-N 3.29Å; Q459-V461 PolarHBondContact O-N 3.1Å; Q459-E462 PolarHBondContact O-N 3.21Å; Q459-E462 VanDerWaalsContact O-N 3.15Å; Q459-V463 WeakPolarHBondContact O-CG2 3.42Å; Q459-V463 PolarHBondContact O-N 2.92Å |
| 460 | A | 77.7 | Confident | 76.6 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -63 | -37.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L425 L440 I442 S456 A457 Y458 V463 D464 | L425-A460 HydrophobicContact CD2-CB 4.01Å; L440-A460 HydrophobicContact CD2-CB 3.82Å; L440-A460 VanDerWaalsContact CD2-O 3.25Å; L440-A460 WeakPolarHBondContact CD2-O 3.16Å; I442-A460 HydrophobicContact CD1-CB 3.43Å; I442-A460 VanDerWaalsContact CD1-CB 3.43Å; I442-A460 HydrophobicContact CG1-CB 3.75Å; S456-A460 VanDerWaalsContact O-CB 3.3Å; S456-A460 WeakPolarHBondContact O-CB 3.44Å; S456-A460 PolarHBondContact O-N 2.94Å; A457-A460 PolarHBondContact O-N 2.9Å; Y458-A460 VanDerWaalsContact C-N 3.26Å; Y458-A460 PolarHBondContact O-N 2.78Å; A460-V463 PolarHBondContact O-N 2.85Å; A460-D464 WeakPolarHBondContact O-CB 3.47Å; A460-D464 PolarHBondContact O-N 2.86Å |
| 461 | V | 76.3 | Confident | 76.6 | Confident | 48 Ų | 48 | 56 Ų | 56 | 29% | 0.291 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65.3 | -40.3 | 173.8 | 175.1 | 0 | 0 | 0 | 0 | 111.3 | A457 Y458 Q459 D464 R465 | A457-V461 PolarHBondContact O-N 2.81Å; Y458-V461 WeakPolarHBondContact O-CB 3.25Å; Y458-V461 PolarHBondContact O-N 3.49Å; Q459-V461 VanDerWaalsContact C-N 3.29Å; Q459-V461 PolarHBondContact O-N 3.1Å; V461-D464 PolarHBondContact O-N 2.62Å; V461-R465 WeakPolarHBondContact O-CB 3.4Å; V461-R465 PolarHBondContact O-N 2.97Å |
| 462 | E | 80.9 | Confident | 76.7 | Confident | 60 Ų | 60 | 55.6 Ų | 55.6 | 28% | 0.28 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -69.8 | -37.4 | 179.7 | -173.9 | 56.8 | -158.7 | 0 | 0 | 112 | Y458 Q459 R465 Q466 | Y458-E462 PolarHBondContact O-N 3.46Å; Q459-E462 PolarHBondContact O-N 3.21Å; Q459-E462 VanDerWaalsContact O-N 3.15Å; E462-R465 WeakPolarHBondContact O-CB 3.43Å; E462-R465 PolarHBondContact O-N 3.07Å; E462-R465 IonicContact OE1-CZ 3.88Å; E462-R465 IonicContact OE1-NE 3.04Å; E462-R465 PolarHBondContact OE1-NE 2.98Å; E462-R465 IonicContact OE1-NH2 2.76Å; E462-R465 PolarHBondContact OE1-NH2 3.04Å; E462-R465 IonicContact OE2-CZ 2.8Å; E462-R465 IonicContact OE2-NE 2.68Å; E462-R465 PolarHBondContact OE2-NE 3.09Å; E462-R465 IonicContact OE2-NH2 2.67Å; E462-Q466 PolarHBondContact O-N 2.9Å |
| 463 | V | 84.9 | Confident | 76.2 | Confident | 4 Ų | 4 | 58.9 Ų | 58.9 | 2% | 0.024 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.7 | -48.4 | 171.8 | 174.1 | 0 | 0 | 0 | 0 | 110.2 | L407 L425 L440 Q459 A460 R465 Q466 F467 | L407-V463 HydrophobicContact CD1-CG2 3.56Å; L425-V463 HydrophobicContact CD2-CG2 4.04Å; L440-V463 HydrophobicContact CD1-CG1 4.1Å; L440-V463 HydrophobicContact CD2-CB 3.94Å; L440-V463 HydrophobicContact CD2-CG1 3.93Å; Q459-V463 WeakPolarHBondContact O-CG2 3.42Å; Q459-V463 PolarHBondContact O-N 2.92Å; A460-V463 PolarHBondContact O-N 2.85Å; V463-R465 VanDerWaalsContact C-N 3.27Å; V463-R465 PolarHBondContact O-N 2.85Å; V463-Q466 WeakPolarHBondContact O-CB 3.41Å; V463-Q466 PolarHBondContact O-N 3.32Å; V463-F467 HydrophobicContact CG1-CE2 4.26Å; V463-F467 VanDerWaalsContact O-CD2 3.25Å; V463-F467 WeakPolarHBondContact O-CD2 3.4Å |
| 464 | D | 74.9 | Confident | 76 | Confident | 21 Ų | 21 | 59.5 Ų | 59.5 | 11% | 0.112 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -34.6 | 178.5 | -173.2 | 27.5 | 0 | 0 | 0 | 112.7 | A460 V461 Q466 F467 D468 G469 A470 A471 Q473 | A460-D464 WeakPolarHBondContact O-CB 3.47Å; A460-D464 PolarHBondContact O-N 2.86Å; V461-D464 PolarHBondContact O-N 2.62Å; D464-Q466 PolarHBondContact O-N 3.19Å; D464-F467 CarbonylContact O-C 3.52Å; D464-F467 WeakPolarHBondContact O-CA 3.45Å; D464-F467 PolarHBondContact O-N 3.17Å; D464-D468 PolarHBondContact O-N 3.26Å; D464-G469 PolarHBondContact O-N 3.2Å; D464-G469 VanDerWaalsContact OD1-CA 3.22Å; D464-G469 WeakPolarHBondContact OD1-CA 3.46Å; D464-A470 PolarHBondContact OD1-N 3.09Å; D464-A471 HydrophobicContact CB-CB 4.49Å; D464-A471 WeakPolarHBondContact OD1-CA 3.33Å; D464-A471 VanDerWaalsContact OD1-CB 3.25Å; D464-A471 WeakPolarHBondContact OD1-CB 3.25Å; D464-A471 PolarHBondContact OD1-N 3.08Å; D464-Q473 PolarHBondContact OD2-NE2 2.82Å |
| 465 | R | 78.3 | Confident | 76.3 | Confident | 165 Ų | 165 | 62 Ų | 62 | 62% | 0.623 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -60.8 | -30.7 | 174.3 | -167.5 | 176.5 | 78 | 100.5 | 2.8 | 113 | V461 E462 V463 F467 D468 | V461-R465 WeakPolarHBondContact O-CB 3.4Å; V461-R465 PolarHBondContact O-N 2.97Å; E462-R465 WeakPolarHBondContact O-CB 3.43Å; E462-R465 PolarHBondContact O-N 3.07Å; E462-R465 IonicContact OE1-CZ 3.88Å; E462-R465 IonicContact OE1-NE 3.04Å; E462-R465 PolarHBondContact OE1-NE 2.98Å; E462-R465 IonicContact OE1-NH2 2.76Å; E462-R465 PolarHBondContact OE1-NH2 3.04Å; E462-R465 IonicContact OE2-CZ 2.8Å; E462-R465 IonicContact OE2-NE 2.68Å; E462-R465 PolarHBondContact OE2-NE 3.09Å; E462-R465 IonicContact OE2-NH2 2.67Å; V463-R465 VanDerWaalsContact C-N 3.27Å; V463-R465 PolarHBondContact O-N 2.85Å; R465-F467 PolarHBondContact O-N 3.3Å; R465-D468 PolarHBondContact O-N 3.45Å |
| 466 | Q | 87.4 | Confident | 76.7 | Confident | 129 Ų | 129 | 61.6 Ų | 61.6 | 60% | 0.603 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -68.5 | -18.5 | 175.6 | -62.5 | 171.3 | 35.3 | 0 | 0 | 112.4 | E462 V463 D464 | E462-Q466 PolarHBondContact O-N 2.9Å; V463-Q466 WeakPolarHBondContact O-CB 3.41Å; V463-Q466 PolarHBondContact O-N 3.32Å; D464-Q466 PolarHBondContact O-N 3.19Å |
| 467 | F | 82.3 | Confident | 76.5 | Confident | 56 Ų | 56 | 69 Ų | 69 | 25% | 0.246 | 35% | 0.348 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 28.1 | 176.9 | -58.7 | -83 | 0 | 0 | 0 | 111.7 | L427 H438 V463 D464 R465 G469 A470 | L427-F467 HydrophobicContact CD1-CE2 4.32Å; L427-F467 HydrophobicContact CD2-CE2 3.55Å; L427-F467 HydrophobicContact CD2-CZ 3.53Å; H438-F467 AromaticContact CD2-CD1 3.74Å; H438-F467 AromaticContact CE1-CD1 3.7Å; H438-F467 AromaticContact CE1-CE1 3.66Å; H438-F467 AromaticContact NE2-CD1 3.49Å; H438-F467 WeakPolarHBondContact NE2-CD1 3.1Å; H438-F467 AromaticContact NE2-CE1 3.93Å; V463-F467 HydrophobicContact CG1-CE2 4.26Å; V463-F467 VanDerWaalsContact O-CD2 3.25Å; V463-F467 WeakPolarHBondContact O-CD2 3.4Å; D464-F467 CarbonylContact O-C 3.52Å; D464-F467 WeakPolarHBondContact O-CA 3.45Å; D464-F467 PolarHBondContact O-N 3.17Å; R465-F467 PolarHBondContact O-N 3.3Å; F467-G469 PolarHBondContact O-N 3.08Å; F467-G469 VanDerWaalsContact O-N 3.12Å; F467-A470 WeakPolarHBondContact O-CB 3.37Å; F467-A470 PolarHBondContact O-N 3.38Å |
| 468 | D | 78.1 | Confident | 77 | Confident | 164 Ų | 164 | 67.8 Ų | 67.8 | 88% | 0.877 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 26.8 | 178.7 | -63.2 | -44.7 | 0 | 0 | 0 | 114.5 | D464 R465 A470 | D464-D468 PolarHBondContact O-N 3.26Å; R465-D468 PolarHBondContact O-N 3.45Å; D468-A470 VanDerWaalsContact C-N 3.29Å |
| 469 | G | 68.1 | Low | 77.1 | Confident | 47 Ų | 47 | 62.6 Ų | 62.6 | 49% | 0.485 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.5 | 16.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114 | D464 F467 | D464-G469 PolarHBondContact O-N 3.2Å; D464-G469 VanDerWaalsContact OD1-CA 3.22Å; D464-G469 WeakPolarHBondContact OD1-CA 3.46Å; F467-G469 PolarHBondContact O-N 3.08Å; F467-G469 VanDerWaalsContact O-N 3.12Å |
| 470 | A | 73.1 | Confident | 76.8 | Confident | 69 Ų | 69 | 64.7 Ų | 64.7 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | trans | -86.5 | -8.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | D464 F467 D468 | D464-A470 PolarHBondContact OD1-N 3.09Å; F467-A470 WeakPolarHBondContact O-CB 3.37Å; F467-A470 PolarHBondContact O-N 3.38Å; D468-A470 VanDerWaalsContact C-N 3.29Å | ||
| 471 | A | 73.6 | Confident | 77 | Confident | 9 Ų | 9 | 65.2 Ų | 65.2 | 7% | 0.074 | 34% | 0.342 | C | S | . | . | S | Bend | trans | -80 | 132.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | H438 L440 D464 Q473 | H438-A471 HydrophobicContact CB-CB 3.81Å; H438-A471 WeakPolarHBondContact O-CA 3.24Å; L440-A471 HydrophobicContact CB-CB 4.42Å; D464-A471 HydrophobicContact CB-CB 4.49Å; D464-A471 WeakPolarHBondContact OD1-CA 3.33Å; D464-A471 VanDerWaalsContact OD1-CB 3.25Å; D464-A471 WeakPolarHBondContact OD1-CB 3.25Å; D464-A471 PolarHBondContact OD1-N 3.08Å; A471-Q473 PolarHBondContact O-N 2.88Å |
| 472 | V | 77 | Confident | 77.1 | Confident | 80 Ų | 80 | 64.6 Ų | 64.6 | 49% | 0.485 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 111.5 | 173.3 | -179.7 | 0 | 0 | 0 | 0 | 108.7 | H438 I439 L440 V474 | H438-V472 PolarHBondContact O-N 3.05Å; I439-V472 CarbonylContact C-O 3.05Å; I439-V472 WeakPolarHBondContact CA-O 3.37Å; I439-V472 HydrophobicContact CG1-CB 4.33Å; I439-V472 WeakPolarHBondContact CG2-O 3.44Å; L440-V472 PolarHBondContact N-O 3.26Å; V472-V474 HydrophobicContact CG1-CG2 4.11Å |
| 473 | Q | 68.7 | Low | 76.9 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 37% | 0.369 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 125.9 | 179.1 | -58.4 | -174.8 | 36.1 | 0 | 0 | 111.1 | L440 D464 A471 | L440-Q473 HydrophobicContact CB-CG 4.46Å; L440-Q473 CarbonylContact O-C 3.09Å; L440-Q473 WeakPolarHBondContact O-CA 3.45Å; D464-Q473 PolarHBondContact OD2-NE2 2.82Å; A471-Q473 PolarHBondContact O-N 2.88Å |
| 474 | V | 70.4 | Confident | 76.9 | Confident | 44 Ų | 44 | 64.6 Ų | 64.6 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 113 | -178.8 | -175.5 | 0 | 0 | 0 | 0 | 109.8 | I439 L440 Y441 I442 V472 V476 | I439-V474 HydrophobicContact CG2-CG2 3.92Å; L440-V474 PolarHBondContact O-N 2.82Å; Y441-V474 CarbonylContact C-O 3.51Å; Y441-V474 VanDerWaalsContact CA-O 3.29Å; Y441-V474 WeakPolarHBondContact CA-O 3.36Å; Y441-V474 HydrophobicContact CD1-CB 3.6Å; Y441-V474 HydrophobicContact CD1-CG1 3.78Å; Y441-V474 HydrophobicContact CD1-CG2 4.4Å; Y441-V474 HydrophobicContact CE1-CB 3.71Å; Y441-V474 HydrophobicContact CE1-CG1 3.67Å; Y441-V474 HydrophobicContact CE1-CG2 4.12Å; Y441-V474 HydrophobicContact CG-CB 4.49Å; I442-V474 PolarHBondContact N-O 3.4Å; V472-V474 HydrophobicContact CG1-CG2 4.11Å; V474-V476 HydrophobicContact CG1-CG2 4.23Å |
| 475 | R | 73.9 | Confident | 77.5 | Confident | 115 Ų | 115 | 63.6 Ų | 63.6 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 126 | 175.6 | -171.2 | 174.6 | 178.3 | 173.2 | 3.3 | 110.3 | ||
| 476 | V | 79.4 | Confident | 78 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 122.2 | -178.9 | -175 | 0 | 0 | 0 | 0 | 108.2 | Y441 I442 W443 Q444 V474 E481 P482 | Y441-V476 HydrophobicContact CD1-CG2 3.62Å; Y441-V476 HydrophobicContact CE1-CG2 4.33Å; I442-V476 PolarHBondContact O-N 3.33Å; W443-V476 CarbonylContact C-O 3.27Å; W443-V476 WeakPolarHBondContact CA-O 3.35Å; Q444-V476 PolarHBondContact N-O 2.85Å; V474-V476 HydrophobicContact CG1-CG2 4.23Å; V476-E481 HydrophobicContact CG1-CB 4.37Å; V476-E481 HydrophobicContact CG1-CG 4.01Å; V476-P482 HydrophobicContact CG2-CG 4.29Å |
| 477 | R | 75.8 | Confident | 78 | Confident | 156 Ų | 156 | 50.7 Ų | 50.7 | 59% | 0.589 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 146.6 | 169.7 | -64 | -172.9 | -175.3 | -161.3 | 1.2 | 108.7 | G479 T480 | R477-G479 PolarHBondContact O-N 2.96Å; R477-T480 PolarHBondContact N-OG1 3.38Å; R477-T480 PolarHBondContact O-N 2.93Å; R477-T480 PolarHBondContact O-OG1 2.78Å |
| 478 | M | 82.1 | Confident | 78.5 | Confident | 9 Ų | 9 | 48.6 Ų | 48.6 | 4% | 0.044 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.1 | 125.5 | 169.1 | 178.4 | 177 | 165.1 | 0 | 0 | 110.8 | W443 Q444 R446 E481 I495 E497 | W443-M478 HydrophobicContact CH2-CB 3.94Å; W443-M478 HydrophobicContact CH2-CG 4.09Å; W443-M478 HydrophobicContact CH2-SD 4.21Å; W443-M478 HydrophobicContact CZ2-CB 3.59Å; W443-M478 HydrophobicContact CZ2-CG 3.78Å; W443-M478 HydrophobicContact CZ2-SD 4.47Å; Q444-M478 PolarHBondContact O-N 3.24Å; R446-M478 HydrophobicContact CB-CB 4.49Å; R446-M478 HydrophobicContact CB-SD 3.77Å; M478-E481 WeakPolarHBondContact CA-OE1 3.49Å; M478-I495 HydrophobicContact CE-CG2 3.97Å; M478-I495 HydrophobicContact CG-CG2 3.95Å; M478-I495 HydrophobicContact SD-CG2 4.27Å; M478-E497 WeakPolarHBondContact CE-OE2 3.47Å |
| 479 | G | 74.8 | Confident | 79.2 | Confident | 27 Ų | 27 | 41.4 Ų | 41.4 | 28% | 0.278 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -20.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | R477 E481 K526 | R477-G479 PolarHBondContact O-N 2.96Å; G479-E481 VanDerWaalsContact C-OE2 3.24Å; G479-E481 WeakPolarHBondContact CA-OE2 3.33Å; G479-E481 PolarHBondContact N-OE1 3.24Å; G479-E481 PolarHBondContact N-OE2 3Å; G479-K526 PolarHBondContact O-NZ 3.37Å |
| 480 | T | 75.6 | Confident | 80.3 | Confident | 74 Ų | 74 | 42.7 Ų | 42.7 | 45% | 0.454 | 22% | 0.222 | S | C | . | . | trans | -108.4 | 32.2 | -177.9 | 74.9 | 0 | 0 | 0 | 0 | 112.5 | R477 P482 | R477-T480 PolarHBondContact N-OG1 3.38Å; R477-T480 PolarHBondContact O-N 2.93Å; R477-T480 PolarHBondContact O-OG1 2.78Å; T480-P482 WeakPolarHBondContact O-CD 3.34Å | ||
| 481 | E | 82.3 | Confident | 80.9 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.056 | 20% | 0.196 | C | C | . | . | trans | -64.2 | 123.4 | -176.6 | -64.3 | 75.9 | -156.9 | 0 | 0 | 111.6 | W443 V476 M478 G479 F485 M486 L493 I495 K526 | W443-E481 PolarHBondContact NE1-OE1 2.99Å; V476-E481 HydrophobicContact CG1-CB 4.37Å; V476-E481 HydrophobicContact CG1-CG 4.01Å; M478-E481 WeakPolarHBondContact CA-OE1 3.49Å; G479-E481 VanDerWaalsContact C-OE2 3.24Å; G479-E481 WeakPolarHBondContact CA-OE2 3.33Å; G479-E481 PolarHBondContact N-OE1 3.24Å; G479-E481 PolarHBondContact N-OE2 3Å; E481-F485 HydrophobicContact CB-CD1 3.92Å; E481-F485 HydrophobicContact CG-CD1 3.84Å; E481-F485 HydrophobicContact CG-CE1 3.92Å; E481-M486 HydrophobicContact CB-CG 4.04Å; E481-M486 HydrophobicContact CB-SD 4.48Å; E481-L493 HydrophobicContact CB-CD2 4.38Å; E481-L493 HydrophobicContact CG-CD2 4.18Å; E481-I495 HydrophobicContact CG-CD1 4.11Å; E481-I495 VanDerWaalsContact OE1-CD1 3.26Å; E481-I495 WeakPolarHBondContact OE1-CD1 3.41Å; E481-K526 IonicContact OE2-NZ 3.25Å; E481-K526 PolarHBondContact OE2-NZ 3.44Å | ||
| 482 | P | 76.9 | Confident | 81.8 | Confident | 34 Ų | 34 | 44.4 Ų | 44.4 | 22% | 0.221 | 22% | 0.216 | C | C | . | . | trans | -71.8 | 155 | 177.9 | 29 | -33.2 | 0 | 0 | 0 | 111.2 | Y441 V476 T480 H484 F485 M486 | Y441-P482 HydrophobicContact CE1-CG 4Å; V476-P482 HydrophobicContact CG2-CG 4.29Å; T480-P482 WeakPolarHBondContact O-CD 3.34Å; P482-H484 VanDerWaalsContact C-N 3.28Å; P482-H484 PolarHBondContact O-N 3.36Å; P482-H484 VanDerWaalsContact O-N 3.17Å; P482-F485 HydrophobicContact CG-CB 3.75Å; P482-F485 WeakPolarHBondContact O-CB 3.44Å; P482-F485 PolarHBondContact O-N 2.94Å; P482-M486 PolarHBondContact O-N 2.85Å | ||
| 483 | R | 77.6 | Confident | 82.6 | Confident | 64 Ų | 64 | 40.6 Ų | 40.6 | 24% | 0.242 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -51.1 | -43.7 | -178 | -162.3 | 176.7 | -176.6 | 148.3 | 7.8 | 113.4 | E387 M389 F485 M486 A487 D521 S523 | E387-R483 IonicContact OE2-CZ 3.99Å; E387-R483 IonicContact OE2-NE 2.79Å; E387-R483 IonicContact OE2-NH1 3.55Å; E387-R483 PolarHBondContact OE2-NH1 2.79Å; M389-R483 HydrophobicContact CG-CG 4.48Å; M389-R483 VanDerWaalsContact SD-C 3.53Å; M389-R483 HydrophobicContact SD-CB 4.07Å; M389-R483 HydrophobicContact SD-CG 3.86Å; R483-F485 PolarHBondContact O-N 2.83Å; R483-M486 HydrophobicContact CB-CE 4.41Å; R483-M486 PolarHBondContact O-N 2.71Å; R483-A487 WeakPolarHBondContact O-CB 3.12Å; R483-A487 PolarHBondContact O-N 3.39Å; R483-D521 IonicContact NH2-OD2 3.38Å; R483-D521 PolarHBondContact NH2-OD2 2.85Å; R483-D521 VanDerWaalsContact NH2-OD2 3.17Å; R483-S523 PolarHBondContact NE-OG 2.84Å; R483-S523 PolarHBondContact NH2-OG 2.82Å |
| 484 | H | 85.1 | Confident | 83.9 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61.6 | -40.8 | 176.8 | -173.1 | -101.5 | 0 | 0 | 0 | 113.7 | R388 M389 V390 D391 Y428 Y441 P482 M486 A487 I488 | R388-H484 VanDerWaalsContact O-CB 3.31Å; R388-H484 WeakPolarHBondContact O-CB 3.21Å; M389-H484 WeakPolarHBondContact SD-CA 3.47Å; M389-H484 HydrophobicContact SD-CB 3.89Å; M389-H484 PolarHBondContact SD-N 2.84Å; V390-H484 VanDerWaalsContact CG2-CE1 3.44Å; V390-H484 WeakPolarHBondContact CG2-CE1 3.26Å; V390-H484 WeakPolarHBondContact CG2-NE2 3.26Å; V390-H484 PolarHBondContact N-CD2 2.87Å; D391-H484 IonicContact OD1-CD2 2.83Å; D391-H484 IonicContact OD1-NE2 3.29Å; D391-H484 PolarHBondContact OD1-NE2 2.74Å; Y428-H484 AromaticContact CD1-CE1 3.53Å; Y428-H484 AromaticContact CE1-CE1 3.44Å; Y428-H484 VanDerWaalsContact CE1-CE1 3.44Å; Y428-H484 WeakPolarHBondContact CE1-CE1 3.4Å; Y428-H484 AromaticContact CE1-NE2 3.56Å; Y441-H484 AromaticContact CE2-ND1 3.8Å; Y441-H484 AromaticContact CZ-ND1 3.66Å; Y441-H484 PolarHBondContact OH-ND1 2.84Å; P482-H484 VanDerWaalsContact C-N 3.28Å; P482-H484 PolarHBondContact O-N 3.36Å; P482-H484 VanDerWaalsContact O-N 3.17Å; H484-M486 VanDerWaalsContact C-N 3.3Å; H484-M486 PolarHBondContact O-N 2.85Å; H484-A487 PolarHBondContact O-N 2.76Å; H484-I488 WeakPolarHBondContact O-CG1 3.37Å; H484-I488 PolarHBondContact O-N 2.8Å; H484-I488 VanDerWaalsContact O-N 3.12Å |
| 485 | F | 87.4 | Confident | 85 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.7 | -178.7 | -92.8 | 0 | 0 | 0 | 111.2 | F418 V426 Y441 W443 E481 P482 R483 F489 L493 | F418-F485 HydrophobicContact CD1-CZ 4.48Å; F418-F485 AromaticContact CE1-CZ 3.81Å; F418-F485 HydrophobicContact CE1-CZ 3.81Å; F418-F485 HydrophobicContact CE2-CE1 4.13Å; F418-F485 AromaticContact CE2-CZ 3.83Å; F418-F485 HydrophobicContact CE2-CZ 3.83Å; F418-F485 HydrophobicContact CZ-CE1 4.22Å; F418-F485 HydrophobicContact CZ-CE2 4.23Å; F418-F485 AromaticContact CZ-CZ 3.45Å; F418-F485 HydrophobicContact CZ-CZ 3.45Å; F418-F485 VanDerWaalsContact CZ-CZ 3.45Å; V426-F485 HydrophobicContact CB-CE2 4.44Å; V426-F485 HydrophobicContact CG2-CE2 4.01Å; Y441-F485 HydrophobicContact CD1-CB 4.44Å; Y441-F485 AromaticContact CD1-CD2 3.84Å; Y441-F485 HydrophobicContact CD1-CD2 3.84Å; Y441-F485 AromaticContact CD2-CD2 3.93Å; Y441-F485 HydrophobicContact CD2-CD2 3.93Å; Y441-F485 HydrophobicContact CE1-CB 4.17Å; Y441-F485 HydrophobicContact CE1-CD2 4.35Å; Y441-F485 HydrophobicContact CE2-CD2 4.43Å; Y441-F485 AromaticContact CG-CD2 3.61Å; Y441-F485 HydrophobicContact CG-CD2 3.61Å; Y441-F485 HydrophobicContact CG-CE2 4.18Å; W443-F485 HydrophobicContact CB-CE2 4.46Å; W443-F485 HydrophobicContact CB-CZ 4.19Å; W443-F485 AromaticContact CD1-CE1 3.82Å; W443-F485 AromaticContact CD1-CZ 3.61Å; W443-F485 HydrophobicContact CG-CZ 4.1Å; E481-F485 HydrophobicContact CB-CD1 3.92Å; E481-F485 HydrophobicContact CG-CD1 3.84Å; E481-F485 HydrophobicContact CG-CE1 3.92Å; P482-F485 HydrophobicContact CG-CB 3.75Å; P482-F485 WeakPolarHBondContact O-CB 3.44Å; P482-F485 PolarHBondContact O-N 2.94Å; R483-F485 PolarHBondContact O-N 2.83Å; F485-F489 HydrophobicContact CD1-CE2 4.04Å; F485-F489 HydrophobicContact CD2-CE2 4.34Å; F485-F489 HydrophobicContact CE1-CD2 4.48Å; F485-F489 AromaticContact CE1-CE2 3.75Å; F485-F489 HydrophobicContact CE1-CE2 3.75Å; F485-F489 HydrophobicContact CE2-CE2 4.08Å; F485-F489 HydrophobicContact CE2-CZ 4.44Å; F485-F489 HydrophobicContact CG-CE2 4.34Å; F485-F489 AromaticContact CZ-CE2 3.79Å; F485-F489 HydrophobicContact CZ-CE2 3.79Å; F485-F489 HydrophobicContact CZ-CZ 4.3Å; F485-F489 WeakPolarHBondContact O-CD2 3.08Å; F485-F489 VanDerWaalsContact O-CE2 3.24Å; F485-F489 WeakPolarHBondContact O-CE2 3.35Å; F485-L493 HydrophobicContact CD1-CD2 4.25Å; F485-L493 HydrophobicContact CE1-CD1 4Å; F485-L493 HydrophobicContact CE1-CD2 4.27Å |
| 486 | M | 89 | Confident | 85.9 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 10% | 0.103 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -65.8 | -41.6 | 175.9 | -58.5 | -171.3 | -76.7 | 0 | 0 | 111.8 | E481 P482 R483 H484 I488 F489 L493 S523 N524 K526 | E481-M486 HydrophobicContact CB-CG 4.04Å; E481-M486 HydrophobicContact CB-SD 4.48Å; P482-M486 PolarHBondContact O-N 2.85Å; R483-M486 HydrophobicContact CB-CE 4.41Å; R483-M486 PolarHBondContact O-N 2.71Å; H484-M486 VanDerWaalsContact C-N 3.3Å; H484-M486 PolarHBondContact O-N 2.85Å; M486-I488 VanDerWaalsContact C-N 3.3Å; M486-I488 PolarHBondContact O-N 3.23Å; M486-F489 PolarHBondContact O-N 2.72Å; M486-F489 VanDerWaalsContact O-N 3.08Å; M486-L493 HydrophobicContact CB-CD2 4.31Å; M486-L493 HydrophobicContact CG-CD2 3.69Å; M486-S523 WeakPolarHBondContact CB-O 3.49Å; M486-N524 HydrophobicContact CE-CB 4.39Å; M486-K526 HydrophobicContact SD-CB 4.5Å; M486-K526 HydrophobicContact SD-CD 3.96Å; M486-K526 HydrophobicContact SD-CG 4.46Å |
| 487 | A | 86.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 31.2 Ų | 31.2 | 1% | 0.008 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -63.5 | -30.3 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M389 R483 H484 F489 K490 S523 | M389-A487 HydrophobicContact CE-CB 3.24Å; M389-A487 HydrophobicContact SD-CB 3.92Å; R483-A487 WeakPolarHBondContact O-CB 3.12Å; R483-A487 PolarHBondContact O-N 3.39Å; H484-A487 PolarHBondContact O-N 2.76Å; A487-F489 PolarHBondContact O-N 2.73Å; A487-K490 VanDerWaalsContact O-CD 3.29Å; A487-K490 WeakPolarHBondContact O-CD 3.39Å; A487-K490 WeakPolarHBondContact O-CE 3.48Å; A487-K490 PolarHBondContact O-N 2.91Å; A487-K490 VanDerWaalsContact O-N 3.08Å; A487-S523 PolarHBondContact N-O 2.8Å |
| 488 | I | 93.2 | Very high | 86.7 | Confident | 13 Ų | 13 | 24.8 Ų | 24.8 | 7% | 0.067 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -54.7 | -36.1 | 173 | -70.8 | 168 | 0 | 0 | 0 | 111.3 | V397 Y428 Y441 H484 M486 | V397-I488 HydrophobicContact CB-CG2 4.43Å; V397-I488 HydrophobicContact CG1-CG2 4.11Å; V397-I488 HydrophobicContact CG2-CG2 3.4Å; V397-I488 VanDerWaalsContact CG2-CG2 3.4Å; Y428-I488 HydrophobicContact CD2-CD1 3.94Å; Y428-I488 HydrophobicContact CD2-CG1 3.93Å; Y428-I488 HydrophobicContact CE2-CD1 4.47Å; Y428-I488 HydrophobicContact CE2-CG1 4Å; Y428-I488 HydrophobicContact CG-CD1 3.97Å; Y428-I488 HydrophobicContact CG-CG1 4.37Å; Y441-I488 HydrophobicContact CD2-CD1 4.13Å; Y441-I488 HydrophobicContact CE2-CD1 3.69Å; H484-I488 WeakPolarHBondContact O-CG1 3.37Å; H484-I488 PolarHBondContact O-N 2.8Å; H484-I488 VanDerWaalsContact O-N 3.12Å; M486-I488 VanDerWaalsContact C-N 3.3Å; M486-I488 PolarHBondContact O-N 3.23Å |
| 489 | F | 93.4 | Very high | 86.9 | Confident | 13 Ų | 13 | 26.1 Ų | 26.1 | 6% | 0.057 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.7 | 3.4 | -177.3 | -53.1 | -67.8 | 0 | 0 | 0 | 113.4 | G416 F418 V426 F485 M486 A487 G491 K492 L493 | G416-F489 VanDerWaalsContact N-CD1 3.32Å; F418-F489 HydrophobicContact CE2-CD2 4.4Å; F418-F489 HydrophobicContact CE2-CE1 4.21Å; F418-F489 AromaticContact CE2-CE2 3.73Å; F418-F489 HydrophobicContact CE2-CE2 3.73Å; F418-F489 AromaticContact CE2-CZ 3.63Å; F418-F489 HydrophobicContact CE2-CZ 3.63Å; F418-F489 HydrophobicContact CZ-CE1 4.31Å; F418-F489 AromaticContact CZ-CE2 3.96Å; F418-F489 HydrophobicContact CZ-CE2 3.96Å; F418-F489 AromaticContact CZ-CZ 3.55Å; F418-F489 HydrophobicContact CZ-CZ 3.55Å; V426-F489 HydrophobicContact CG1-CZ 4.38Å; F485-F489 HydrophobicContact CD1-CE2 4.04Å; F485-F489 HydrophobicContact CD2-CE2 4.34Å; F485-F489 HydrophobicContact CE1-CD2 4.48Å; F485-F489 AromaticContact CE1-CE2 3.75Å; F485-F489 HydrophobicContact CE1-CE2 3.75Å; F485-F489 HydrophobicContact CE2-CE2 4.08Å; F485-F489 HydrophobicContact CE2-CZ 4.44Å; F485-F489 HydrophobicContact CG-CE2 4.34Å; F485-F489 AromaticContact CZ-CE2 3.79Å; F485-F489 HydrophobicContact CZ-CE2 3.79Å; F485-F489 HydrophobicContact CZ-CZ 4.3Å; F485-F489 WeakPolarHBondContact O-CD2 3.08Å; F485-F489 VanDerWaalsContact O-CE2 3.24Å; F485-F489 WeakPolarHBondContact O-CE2 3.35Å; M486-F489 PolarHBondContact O-N 2.72Å; M486-F489 VanDerWaalsContact O-N 3.08Å; A487-F489 PolarHBondContact O-N 2.73Å; F489-G491 VanDerWaalsContact C-N 3.28Å; F489-G491 PolarHBondContact O-N 2.96Å; F489-K492 WeakPolarHBondContact O-CB 3.48Å; F489-K492 WeakPolarHBondContact O-CG 3.43Å; F489-K492 PolarHBondContact O-N 3.12Å; F489-L493 HydrophobicContact CB-CB 4.34Å; F489-L493 HydrophobicContact CD2-CB 4.38Å; F489-L493 HydrophobicContact CD2-CD1 3.91Å; F489-L493 HydrophobicContact CE2-CD1 4.25Å |
| 490 | K | 89.6 | Confident | 87.4 | Confident | 73 Ų | 73 | 26.1 Ų | 26.1 | 32% | 0.317 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.8 | 44.4 | 170.4 | -52.7 | -68.6 | 175.7 | 177.3 | 0 | 113.4 | D392 G393 A487 K522 | D392-K490 PolarHBondContact O-NZ 3.34Å; D392-K490 IonicContact OD2-NZ 3.65Å; D392-K490 PolarHBondContact OD2-NZ 3.41Å; G393-K490 WeakPolarHBondContact O-CE 2.96Å; G393-K490 PolarHBondContact O-NZ 2.98Å; A487-K490 VanDerWaalsContact O-CD 3.29Å; A487-K490 WeakPolarHBondContact O-CD 3.39Å; A487-K490 WeakPolarHBondContact O-CE 3.48Å; A487-K490 PolarHBondContact O-N 2.91Å; A487-K490 VanDerWaalsContact O-N 3.08Å; K490-K522 CarbonylContact C-O 3.5Å; K490-K522 VanDerWaalsContact C-O 3.29Å; K490-K522 WeakPolarHBondContact CA-O 3.42Å |
| 491 | G | 87.4 | Confident | 87.8 | Confident | 4 Ų | 4 | 24.1 Ų | 24.1 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 81.2 | 14 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | F489 K522 | F489-G491 VanDerWaalsContact C-N 3.28Å; F489-G491 PolarHBondContact O-N 2.96Å; G491-K522 PolarHBondContact N-O 3.28Å |
| 492 | K | 90.6 | Very high | 88.1 | Confident | 110 Ų | 110 | 26.5 Ų | 26.5 | 48% | 0.478 | 14% | 0.141 | S | C | . | . | trans | -110.7 | 20.7 | -179.9 | -54 | 179 | 177.6 | -176.1 | 0 | 113.2 | F489 V494 L573 | F489-K492 WeakPolarHBondContact O-CB 3.48Å; F489-K492 WeakPolarHBondContact O-CG 3.43Å; F489-K492 PolarHBondContact O-N 3.12Å; K492-V494 PolarHBondContact O-N 3.28Å; K492-L573 HydrophobicContact CB-CD2 3.79Å; K492-L573 HydrophobicContact CD-CD2 3.97Å; K492-L573 HydrophobicContact CG-CD2 3.94Å | ||
| 493 | L | 94.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 118.4 | 177.4 | -179.6 | 63.1 | 0 | 0 | 0 | 109.7 | G416 F418 E481 F485 M486 F489 I495 K526 A527 | G416-L493 CarbonylContact O-C 3.57Å; G416-L493 WeakPolarHBondContact O-CA 3.12Å; F418-L493 HydrophobicContact CD2-CD1 3.48Å; F418-L493 VanDerWaalsContact CD2-CD1 3.48Å; F418-L493 HydrophobicContact CE2-CD1 3.62Å; E481-L493 HydrophobicContact CB-CD2 4.38Å; E481-L493 HydrophobicContact CG-CD2 4.18Å; F485-L493 HydrophobicContact CD1-CD2 4.25Å; F485-L493 HydrophobicContact CE1-CD1 4Å; F485-L493 HydrophobicContact CE1-CD2 4.27Å; M486-L493 HydrophobicContact CB-CD2 4.31Å; M486-L493 HydrophobicContact CG-CD2 3.69Å; F489-L493 HydrophobicContact CB-CB 4.34Å; F489-L493 HydrophobicContact CD2-CB 4.38Å; F489-L493 HydrophobicContact CD2-CD1 3.91Å; F489-L493 HydrophobicContact CE2-CD1 4.25Å; L493-I495 HydrophobicContact CD1-CG1 4.31Å; L493-I495 HydrophobicContact CD2-CD1 4.34Å; L493-I495 HydrophobicContact CG-CD1 4.43Å; L493-I495 HydrophobicContact CG-CG1 4.28Å; L493-K526 HydrophobicContact CB-CB 4.15Å; L493-K526 HydrophobicContact CD2-CB 3.95Å; L493-K526 HydrophobicContact CD2-CD 4.47Å; L493-K526 HydrophobicContact CG-CB 4.13Å; L493-K526 CarbonylContact O-C 3.41Å; L493-K526 WeakPolarHBondContact O-CA 3.38Å; L493-A527 PolarHBondContact O-N 3Å |
| 494 | V | 95.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 123.7 | 178.4 | -175.1 | 0 | 0 | 0 | 0 | 108.4 | G416 F417 F418 K492 F496 F515 A527 L570 L574 | G416-V494 PolarHBondContact O-N 2.85Å; F417-V494 WeakPolarHBondContact CA-O 3.12Å; F417-V494 HydrophobicContact CD1-CB 4.12Å; F417-V494 HydrophobicContact CD1-CG1 4.45Å; F417-V494 HydrophobicContact CD1-CG2 4.49Å; F417-V494 HydrophobicContact CE1-CB 4.39Å; F417-V494 HydrophobicContact CE1-CG2 4.3Å; F418-V494 PolarHBondContact N-O 3.32Å; K492-V494 PolarHBondContact O-N 3.28Å; V494-F496 HydrophobicContact CG1-CE2 4.16Å; V494-F496 HydrophobicContact CG1-CZ 4.1Å; V494-F515 HydrophobicContact CG1-CD1 4.29Å; V494-F515 HydrophobicContact CG1-CE1 3.92Å; V494-A527 CarbonylContact C-O 3.56Å; V494-A527 WeakPolarHBondContact CA-O 3.38Å; V494-A527 HydrophobicContact CG1-CB 4.48Å; V494-A527 HydrophobicContact CG2-CB 4.41Å; V494-L570 HydrophobicContact CG2-CD1 4.46Å; V494-L570 HydrophobicContact CG2-CD2 4.19Å; V494-L570 HydrophobicContact CG2-CG 4.43Å; V494-L574 HydrophobicContact CG1-CD1 4.22Å; V494-L574 HydrophobicContact CG1-CD2 4.16Å; V494-L574 HydrophobicContact CG2-CD1 4.21Å; V494-L574 HydrophobicContact CG2-CD2 4.06Å; V494-L574 HydrophobicContact CG2-CG 4.36Å |
| 495 | I | 94.4 | Very high | 86.8 | Confident | 1 Ų | 1 | 36.6 Ų | 36.6 | 1% | 0.005 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 115 | -178.5 | -58.5 | 171.5 | 0 | 0 | 0 | 107.9 | F418 W443 M478 E481 L493 K526 A527 V528 E529 | F418-I495 CarbonylContact O-C 3.55Å; F418-I495 WeakPolarHBondContact O-CA 3.35Å; W443-I495 HydrophobicContact CH2-CG2 4.29Å; W443-I495 HydrophobicContact CZ2-CG2 3.9Å; M478-I495 HydrophobicContact CE-CG2 3.97Å; M478-I495 HydrophobicContact CG-CG2 3.95Å; M478-I495 HydrophobicContact SD-CG2 4.27Å; E481-I495 HydrophobicContact CG-CD1 4.11Å; E481-I495 VanDerWaalsContact OE1-CD1 3.26Å; E481-I495 WeakPolarHBondContact OE1-CD1 3.41Å; L493-I495 HydrophobicContact CD1-CG1 4.31Å; L493-I495 HydrophobicContact CD2-CD1 4.34Å; L493-I495 HydrophobicContact CG-CD1 4.43Å; L493-I495 HydrophobicContact CG-CG1 4.28Å; I495-K526 HydrophobicContact CD1-CD 4.47Å; I495-A527 PolarHBondContact N-O 3.23Å; I495-V528 HydrophobicContact CB-CG1 4.45Å; I495-V528 HydrophobicContact CB-CG2 4.49Å; I495-V528 HydrophobicContact CD1-CG2 4.39Å; I495-V528 WeakPolarHBondContact O-CA 3.24Å; I495-E529 PolarHBondContact O-N 2.8Å |
| 496 | F | 93.3 | Very high | 85.2 | Confident | 6 Ų | 6 | 41.3 Ų | 41.3 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 139.6 | 172.3 | -59 | -86 | 0 | 0 | 0 | 109.7 | F417 F418 Y419 G420 V494 G498 R513 F515 E529 | F417-F496 HydrophobicContact CB-CE2 4.21Å; F417-F496 AromaticContact CD1-CE2 3.81Å; F417-F496 HydrophobicContact CD1-CE2 3.81Å; F417-F496 AromaticContact CD1-CZ 3.99Å; F417-F496 HydrophobicContact CD1-CZ 3.99Å; F418-F496 WeakPolarHBondContact O-CD2 3.26Å; F418-F496 PolarHBondContact O-N 3.35Å; Y419-F496 HydrophobicContact CD1-CB 3.84Å; Y419-F496 AromaticContact CD1-CD2 3.86Å; Y419-F496 HydrophobicContact CD1-CD2 3.86Å; Y419-F496 AromaticContact CD1-CG 3.94Å; Y419-F496 HydrophobicContact CD1-CG 3.94Å; Y419-F496 AromaticContact CD2-CD2 3.71Å; Y419-F496 HydrophobicContact CD2-CD2 3.71Å; Y419-F496 HydrophobicContact CD2-CE2 4.2Å; Y419-F496 HydrophobicContact CE1-CB 4.19Å; Y419-F496 HydrophobicContact CE1-CD1 4.36Å; Y419-F496 AromaticContact CE1-CD2 3.67Å; Y419-F496 HydrophobicContact CE1-CD2 3.67Å; Y419-F496 HydrophobicContact CE1-CE2 4.08Å; Y419-F496 AromaticContact CE1-CG 3.81Å; Y419-F496 HydrophobicContact CE1-CG 3.81Å; Y419-F496 AromaticContact CE2-CD2 3.46Å; Y419-F496 HydrophobicContact CE2-CD2 3.46Å; Y419-F496 VanDerWaalsContact CE2-CD2 3.46Å; Y419-F496 AromaticContact CE2-CE2 3.51Å; Y419-F496 HydrophobicContact CE2-CE2 3.51Å; Y419-F496 HydrophobicContact CE2-CG 4.42Å; Y419-F496 HydrophobicContact CE2-CZ 4.47Å; Y419-F496 HydrophobicContact CG-CB 4.2Å; Y419-F496 AromaticContact CG-CD2 3.89Å; Y419-F496 HydrophobicContact CG-CD2 3.89Å; Y419-F496 HydrophobicContact CG-CG 4.34Å; Y419-F496 AromaticContact CZ-CD2 3.47Å; Y419-F496 VanDerWaalsContact CZ-CD2 3.47Å; Y419-F496 AromaticContact CZ-CE2 3.47Å; Y419-F496 VanDerWaalsContact CZ-CE2 3.47Å; G420-F496 PolarHBondContact N-O 3.47Å; V494-F496 HydrophobicContact CG1-CE2 4.16Å; V494-F496 HydrophobicContact CG1-CZ 4.1Å; F496-G498 VanDerWaalsContact C-N 3.29Å; F496-G498 PolarHBondContact O-N 3.38Å; F496-R513 VanDerWaalsContact CD1-NH1 3.3Å; F496-F515 AromaticContact CD1-CE1 3.9Å; F496-F515 HydrophobicContact CD1-CE1 3.9Å; F496-F515 AromaticContact CD1-CZ 3.95Å; F496-F515 HydrophobicContact CD1-CZ 3.95Å; F496-F515 AromaticContact CE1-CE1 3.91Å; F496-F515 HydrophobicContact CE1-CE1 3.91Å; F496-F515 AromaticContact CE1-CZ 3.66Å; F496-F515 HydrophobicContact CE1-CZ 3.66Å; F496-E529 VanDerWaalsContact CA-OE2 3.32Å; F496-E529 WeakPolarHBondContact CA-OE2 3.48Å; F496-E529 WeakPolarHBondContact CB-OE2 2.98Å |
| 497 | E | 88.2 | Confident | 84.2 | Confident | 36 Ų | 36 | 46.7 Ų | 46.7 | 17% | 0.168 | 27% | 0.273 | C | S | . | . | S | Bend | trans | -63.9 | -42 | -173.7 | 175.6 | 54.2 | -149 | 0 | 0 | 109.5 | G420 R446 H447 M478 E529 | G420-E497 WeakPolarHBondContact CA-O 3.37Å; R446-E497 IonicContact NH1-OE1 3.42Å; H447-E497 PolarHBondContact CD2-O 3.38Å; H447-E497 IonicContact CD2-OE1 3.03Å; H447-E497 IonicContact CE1-OE1 2.58Å; H447-E497 PolarHBondContact NE2-O 2.83Å; H447-E497 IonicContact NE2-OE1 3.54Å; H447-E497 PolarHBondContact NE2-OE1 3.09Å; M478-E497 WeakPolarHBondContact CE-OE2 3.47Å; E497-E529 HydrophobicContact CB-CB 4.2Å; E497-E529 HydrophobicContact CB-CG 4.28Å; E497-E529 PolarHBondContact N-OE2 3.37Å |
| 498 | G | 83.4 | Confident | 83.3 | Confident | 22 Ų | 22 | 52.2 Ų | 52.2 | 23% | 0.227 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -140.1 | -152 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | Y419 F496 | Y419-G498 WeakPolarHBondContact CD1-O 3.27Å; F496-G498 VanDerWaalsContact C-N 3.29Å; F496-G498 PolarHBondContact O-N 3.38Å |
| 499 | G | 85 | Confident | 82.4 | Confident | 36 Ų | 36 | 55 Ų | 55 | 37% | 0.371 | 32% | 0.324 | S | S | . | . | trans | 71 | -170.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | G421 | G421-G499 VanDerWaalsContact CA-O 3.26Å; G421-G499 WeakPolarHBondContact CA-O 3.46Å; G421-G499 PolarHBondContact N-O 3.47Å | ||
| 500 | T | 86.4 | Confident | 81.9 | Confident | 28 Ų | 28 | 57.1 Ų | 57.1 | 17% | 0.172 | 34% | 0.339 | C | S | . | . | trans | -144.6 | 148.6 | 179.6 | -179.7 | 0 | 0 | 0 | 0 | 111.2 | D422 R502 N505 | D422-T500 WeakPolarHBondContact OD1-CB 3.33Å; D422-T500 PolarHBondContact OD1-OG1 3.44Å; D422-T500 VanDerWaalsContact OD2-CA 3.23Å; D422-T500 WeakPolarHBondContact OD2-CA 3.18Å; D422-T500 PolarHBondContact OD2-OG1 3.38Å; T500-R502 VanDerWaalsContact C-N 3.33Å; T500-R502 HydrophobicContact CG2-CB 4.1Å; T500-R502 HydrophobicContact CG2-CG 4.46Å; T500-R502 WeakPolarHBondContact OG1-CD 3.49Å; T500-R502 WeakPolarHBondContact OG1-CG 3.29Å; T500-R502 PolarHBondContact OG1-N 3.37Å; T500-R502 PolarHBondContact OG1-NE 3.14Å; T500-N505 HydrophobicContact CG2-CB 4.15Å; T500-N505 WeakPolarHBondContact CG2-ND2 3.29Å; T500-N505 PolarHBondContact O-ND2 3.46Å | ||
| 501 | S | 84.3 | Confident | 81.7 | Confident | 32 Ų | 32 | 57.7 Ų | 57.7 | 22% | 0.224 | 35% | 0.35 | C | S | . | . | trans | -91.1 | 10 | 173.5 | 48.3 | 0 | 0 | 0 | 0 | 113.9 | R401 Y419 D422 Y424 | R401-S501 WeakPolarHBondContact CD-OG 3.28Å; R401-S501 PolarHBondContact NH1-O 3.18Å; R401-S501 PolarHBondContact NH1-OG 3.16Å; R401-S501 PolarHBondContact NH2-O 3.19Å; R401-S501 VanDerWaalsContact NH2-O 3.07Å; Y419-S501 VanDerWaalsContact CE2-CB 3.47Å; D422-S501 PolarHBondContact OD2-N 3.3Å; D422-S501 PolarHBondContact OD2-OG 3.17Å; Y424-S501 PolarHBondContact OH-OG 3.22Å | ||
| 502 | R | 87.1 | Confident | 81.9 | Confident | 62 Ų | 62 | 59.1 Ų | 59.1 | 23% | 0.234 | 36% | 0.358 | C | S | . | . | trans | -58.9 | 143.9 | 178.6 | -76.2 | 171.7 | -136 | -152.2 | -0.7 | 113.6 | E403 D422 E452 T500 G504 N505 | E403-R502 HydrophobicContact CG-CG 3.75Å; D422-R502 IonicContact OD1-CZ 2.74Å; D422-R502 IonicContact OD1-NE 3.85Å; D422-R502 PolarHBondContact OD1-NE 3.18Å; D422-R502 VanDerWaalsContact OD1-NE 3.15Å; D422-R502 IonicContact OD1-NH2 2.69Å; D422-R502 PolarHBondContact OD1-NH2 2.94Å; E452-R502 IonicContact OE1-CZ 2.77Å; E452-R502 IonicContact OE1-NH1 3.72Å; E452-R502 PolarHBondContact OE1-NH1 3.08Å; E452-R502 IonicContact OE1-NH2 3.87Å; E452-R502 PolarHBondContact OE1-NH2 3.49Å; E452-R502 IonicContact OE2-CZ 3.84Å; E452-R502 IonicContact OE2-NH2 3.09Å; E452-R502 PolarHBondContact OE2-NH2 3Å; T500-R502 VanDerWaalsContact C-N 3.33Å; T500-R502 HydrophobicContact CG2-CB 4.1Å; T500-R502 HydrophobicContact CG2-CG 4.46Å; T500-R502 WeakPolarHBondContact OG1-CD 3.49Å; T500-R502 WeakPolarHBondContact OG1-CG 3.29Å; T500-R502 PolarHBondContact OG1-N 3.37Å; T500-R502 PolarHBondContact OG1-NE 3.14Å; R502-G504 PolarHBondContact O-N 3.02Å; R502-N505 PolarHBondContact O-N 2.89Å | ||
| 503 | K | 78.4 | Confident | 82 | Confident | 163 Ų | 163 | 55.2 Ų | 55.2 | 71% | 0.709 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | 131.6 | 172.8 | -70.3 | -172.7 | 177.6 | -177.2 | 0 | 109.7 | E411 | E411-K503 WeakPolarHBondContact OE1-CE 3.38Å; E411-K503 IonicContact OE1-NZ 2.78Å; E411-K503 PolarHBondContact OE1-NZ 3.37Å |
| 504 | G | 67.9 | Low | 82.1 | Confident | 81 Ų | 81 | 55.2 Ų | 55.2 | 84% | 0.835 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 14.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | R502 A506 | R502-G504 PolarHBondContact O-N 3.02Å; G504-A506 PolarHBondContact O-N 2.67Å |
| 505 | N | 66.4 | Low | 82.1 | Confident | 66 Ų | 66 | 55.2 Ų | 55.2 | 35% | 0.353 | 34% | 0.341 | S | S | . | . | trans | -55.6 | 121.4 | 166.6 | -172 | 5.9 | 0 | 0 | 0 | 109.3 | T500 R502 E507 | T500-N505 HydrophobicContact CG2-CB 4.15Å; T500-N505 WeakPolarHBondContact CG2-ND2 3.29Å; T500-N505 PolarHBondContact O-ND2 3.46Å; R502-N505 PolarHBondContact O-N 2.89Å; N505-E507 VanDerWaalsContact C-N 3.32Å; N505-E507 WeakPolarHBondContact OD1-CB 3.38Å; N505-E507 PolarHBondContact OD1-N 3.49Å | ||
| 506 | A | 55.3 | Low | 82.1 | Confident | 99 Ų | 99 | 55.5 Ų | 55.5 | 82% | 0.818 | 34% | 0.342 | S | S | * | . | trans | -86 | -7.8 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | G504 | G504-A506 PolarHBondContact O-N 2.67Š| ||
| 507 | E | 67.1 | Low | 82.2 | Confident | 135 Ų | 135 | 55.2 Ų | 55.2 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -73.4 | 122.4 | 178.2 | -66.7 | -169.4 | 161.2 | 0 | 0 | 110.5 | N505 | N505-E507 VanDerWaalsContact C-N 3.32Å; N505-E507 WeakPolarHBondContact OD1-CB 3.38Å; N505-E507 PolarHBondContact OD1-N 3.49Å |
| 508 | P | 67.6 | Low | 82.1 | Confident | 116 Ų | 116 | 57.1 Ų | 57.1 | 75% | 0.753 | 35% | 0.349 | S | S | * | . | P | Polyproline II helix | trans | -65.8 | 142 | 176.4 | 27.3 | -32.2 | 0 | 0 | 0 | 110.1 | ||
| 509 | D | 74.7 | Confident | 82.1 | Confident | 73 Ų | 73 | 56.3 Ų | 56.3 | 39% | 0.39 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -55.8 | 127.1 | 172.8 | -165.4 | 24.5 | 0 | 0 | 0 | 109 | R513 R546 | D509-R513 IonicContact OD1-CZ 2.81Å; D509-R513 IonicContact OD1-NE 3.83Å; D509-R513 PolarHBondContact OD1-NE 3.09Å; D509-R513 IonicContact OD1-NH2 2.89Å; D509-R513 PolarHBondContact OD1-NH2 3.46Å; D509-R546 IonicContact OD2-CZ 3.59Å; D509-R546 IonicContact OD2-NH2 3.79Å; D509-R546 PolarHBondContact OD2-NH2 3.43Å |
| 510 | P | 83.6 | Confident | 82 | Confident | 57 Ų | 57 | 58.4 Ų | 58.4 | 37% | 0.37 | 34% | 0.344 | S | S | . | . | P | Polyproline II helix | trans | -51.1 | 136.9 | 177.8 | -29.3 | 35.5 | 0 | 0 | 0 | 111.2 | V512 R513 | P510-V512 PolarHBondContact O-N 3Å; P510-V512 VanDerWaalsContact O-N 3.16Å; P510-R513 HydrophobicContact CB-CG 4.19Å; P510-R513 VanDerWaalsContact CD-NH2 3.31Å |
| 511 | P | 85.6 | Confident | 81.8 | Confident | 84 Ų | 84 | 59.2 Ų | 59.2 | 55% | 0.545 | 35% | 0.347 | S | S | . | . | S | Bend | trans | -65.1 | -21.9 | -177.1 | 26.6 | -34.8 | 0 | 0 | 0 | 112.8 | T547 Q548 | P511-T547 WeakPolarHBondContact O-CA 3.38Å; P511-Q548 PolarHBondContact O-N 2.67Å |
| 512 | V | 91 | Very high | 81.7 | Confident | 35 Ų | 35 | 62.8 Ų | 62.8 | 21% | 0.212 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 129.2 | 179.1 | -175.1 | 0 | 0 | 0 | 0 | 108.7 | P510 A532 L545 R546 T547 L594 | P510-V512 PolarHBondContact O-N 3Å; P510-V512 VanDerWaalsContact O-N 3.16Å; V512-A532 HydrophobicContact CG1-CB 3.92Å; V512-L545 HydrophobicContact CG1-CD1 3.39Å; V512-R546 CarbonylContact C-O 3.57Å; V512-R546 WeakPolarHBondContact CA-O 3.37Å; V512-T547 HydrophobicContact CG1-CG2 4.46Å; V512-T547 HydrophobicContact CG2-CG2 4.29Å; V512-L594 HydrophobicContact CG2-CD2 4.32Å |
| 513 | R | 93.2 | Very high | 81.3 | Confident | 27 Ų | 27 | 60.2 Ų | 60.2 | 10% | 0.102 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 142 | 171.6 | -64.9 | -174.4 | 177.7 | -107.4 | 13 | 109.6 | F496 D509 P510 F515 E529 L545 R546 | F496-R513 VanDerWaalsContact CD1-NH1 3.3Å; D509-R513 IonicContact OD1-CZ 2.81Å; D509-R513 IonicContact OD1-NE 3.83Å; D509-R513 PolarHBondContact OD1-NE 3.09Å; D509-R513 IonicContact OD1-NH2 2.89Å; D509-R513 PolarHBondContact OD1-NH2 3.46Å; P510-R513 HydrophobicContact CB-CG 4.19Å; P510-R513 VanDerWaalsContact CD-NH2 3.31Å; R513-F515 HydrophobicContact CB-CE2 3.72Å; R513-F515 HydrophobicContact CB-CZ 4.14Å; R513-E529 WeakPolarHBondContact CD-OE1 3.43Å; R513-E529 WeakPolarHBondContact CG-OE1 3.45Å; R513-E529 IonicContact CZ-OE1 3.46Å; R513-E529 IonicContact NE-OE1 2.6Å; R513-E529 IonicContact NH1-OE1 2.83Å; R513-E529 PolarHBondContact NH1-OE1 3.12Å; R513-E529 IonicContact NH1-OE2 3.15Å; R513-E529 PolarHBondContact NH1-OE2 2.9Å; R513-L545 CarbonylContact O-C 3.55Å; R513-R546 PolarHBondContact N-O 2.86Å; R513-R546 PolarHBondContact O-N 3.01Å |
| 514 | L | 95.2 | Very high | 81.5 | Confident | 1 Ų | 1 | 54.1 Ų | 54.1 | 1% | 0.005 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127 | 176.2 | -177.8 | 64.5 | 0 | 0 | 0 | 108.7 | E529 V530 A532 L537 F543 L544 L545 L595 | L514-E529 CarbonylContact O-C 3.1Å; L514-E529 WeakPolarHBondContact O-CA 3.35Å; L514-V530 HydrophobicContact CB-CG2 4.15Å; L514-V530 HydrophobicContact CD2-CG2 3.83Å; L514-V530 HydrophobicContact CG-CG2 3.75Å; L514-V530 PolarHBondContact O-N 2.89Å; L514-A532 HydrophobicContact CB-CB 4.05Å; L514-L537 HydrophobicContact CD1-CD2 4.38Å; L514-L537 HydrophobicContact CD2-CD2 4.36Å; L514-F543 HydrophobicContact CD1-CB 4.03Å; L514-F543 HydrophobicContact CD1-CD1 4Å; L514-F543 HydrophobicContact CD1-CG 4.48Å; L514-F543 HydrophobicContact CD2-CD1 4.25Å; L514-F543 HydrophobicContact CG-CD1 4.05Å; L514-L544 WeakPolarHBondContact CA-O 3.43Å; L514-L545 HydrophobicContact CB-CD1 4.46Å; L514-L545 HydrophobicContact CD1-CB 4.04Å; L514-L545 HydrophobicContact CD1-CD1 4.26Å; L514-L595 HydrophobicContact CD2-CD2 4.08Å |
| 515 | F | 95.8 | Very high | 82.5 | Confident | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 128.1 | 176.4 | -60.7 | -89.2 | 0 | 0 | 0 | 109.9 | V494 F496 R513 A527 V528 E529 F543 L544 L574 | V494-F515 HydrophobicContact CG1-CD1 4.29Å; V494-F515 HydrophobicContact CG1-CE1 3.92Å; F496-F515 AromaticContact CD1-CE1 3.9Å; F496-F515 HydrophobicContact CD1-CE1 3.9Å; F496-F515 AromaticContact CD1-CZ 3.95Å; F496-F515 HydrophobicContact CD1-CZ 3.95Å; F496-F515 AromaticContact CE1-CE1 3.91Å; F496-F515 HydrophobicContact CE1-CE1 3.91Å; F496-F515 AromaticContact CE1-CZ 3.66Å; F496-F515 HydrophobicContact CE1-CZ 3.66Å; R513-F515 HydrophobicContact CB-CE2 3.72Å; R513-F515 HydrophobicContact CB-CZ 4.14Å; F515-A527 HydrophobicContact CB-CB 4.33Å; F515-V528 CarbonylContact C-O 3.52Å; F515-V528 WeakPolarHBondContact CA-O 3.37Å; F515-E529 HydrophobicContact CD1-CB 3.85Å; F515-E529 HydrophobicContact CE1-CB 3.69Å; F515-E529 HydrophobicContact CE1-CG 4.24Å; F515-F543 CarbonylContact O-C 3.56Å; F515-F543 WeakPolarHBondContact O-CA 3.49Å; F515-L544 HydrophobicContact CB-CB 4.32Å; F515-L544 HydrophobicContact CD2-CD2 4.36Å; F515-L544 PolarHBondContact N-O 2.88Å; F515-L544 PolarHBondContact O-N 3.12Å; F515-L574 HydrophobicContact CD2-CD1 4.4Å; F515-L574 HydrophobicContact CE2-CD1 4.47Å |
| 516 | Q | 95.7 | Very high | 83.8 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.033 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 121.7 | 164.7 | -172.9 | 174.4 | 15.6 | 0 | 0 | 108.1 | A527 V528 V530 D541 F543 L709 A710 | Q516-A527 WeakPolarHBondContact O-CA 3.36Å; Q516-V528 PolarHBondContact N-O 3.18Å; Q516-V528 PolarHBondContact O-N 3.01Å; Q516-V530 HydrophobicContact CB-CG1 4.15Å; Q516-D541 HydrophobicContact CG-CB 4.26Å; Q516-D541 PolarHBondContact NE2-OD2 3.1Å; Q516-F543 HydrophobicContact CB-CD1 4.03Å; Q516-F543 HydrophobicContact CB-CE1 3.55Å; Q516-F543 HydrophobicContact CB-CZ 3.93Å; Q516-F543 HydrophobicContact CG-CD1 4.43Å; Q516-F543 HydrophobicContact CG-CE1 3.73Å; Q516-F543 HydrophobicContact CG-CE2 4.09Å; Q516-F543 HydrophobicContact CG-CZ 3.53Å; Q516-L709 HydrophobicContact CG-CD1 4.17Å; Q516-A710 VanDerWaalsContact OE1-CA 3.3Å |
| 517 | I | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 43.3 Ų | 43.3 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 125.7 | -179.9 | -56 | 174.1 | 0 | 0 | 0 | 107.8 | T525 A527 V542 L544 L553 A567 L570 | I517-T525 HydrophobicContact CG2-CG2 4.21Å; I517-A527 HydrophobicContact CG1-CB 3.97Å; I517-V542 HydrophobicContact CB-CB 4.48Å; I517-V542 PolarHBondContact N-O 3.48Å; I517-V542 PolarHBondContact O-N 2.94Å; I517-L544 HydrophobicContact CD1-CB 3.94Å; I517-L553 HydrophobicContact CD1-CD1 4.33Å; I517-A567 HydrophobicContact CB-CB 4.16Å; I517-A567 HydrophobicContact CD1-CB 3.76Å; I517-A567 HydrophobicContact CG2-CB 3.8Å; I517-L570 HydrophobicContact CD1-CD2 4.18Å |
| 518 | H | 87.7 | Confident | 87 | Confident | 75 Ų | 75 | 37.2 Ų | 37.2 | 35% | 0.347 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 139.2 | -179.6 | -173.6 | 81.8 | 0 | 0 | 0 | 110.7 | T525 K526 D541 E563 L709 | H518-T525 WeakPolarHBondContact O-CA 3.25Å; H518-K526 PolarHBondContact N-O 3.2Å; H518-K526 PolarHBondContact O-N 2.94Å; H518-D541 IonicContact CE1-OD1 3.85Å; H518-D541 IonicContact ND1-OD1 3.67Å; H518-D541 PolarHBondContact ND1-OD1 3.38Å; H518-D541 VanDerWaalsContact ND1-OD1 3.09Å; H518-E563 IonicContact ND1-OE1 2.7Å; H518-L709 HydrophobicContact CB-CD1 3.61Å; H518-L709 HydrophobicContact CB-CD2 4.36Å |
| 519 | G | 82.5 | Confident | 88.2 | Confident | 6 Ų | 6 | 32.7 Ų | 32.7 | 6% | 0.062 | 18% | 0.175 | C | C | . | . | trans | 128 | 157.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E563 | G519-E563 VanDerWaalsContact O-CA 3.29Å; G519-E563 WeakPolarHBondContact O-CA 3.41Å; G519-E563 WeakPolarHBondContact O-CB 3.34Å; G519-E563 WeakPolarHBondContact O-CG 3.34Å | ||
| 520 | N | 82.4 | Confident | 89.1 | Confident | 80 Ų | 80 | 29.6 Ų | 29.6 | 43% | 0.428 | 16% | 0.159 | S | C | . | . | S | Bend | trans | -121.1 | -4.1 | -172.8 | 60.9 | 3.6 | 0 | 0 | 0 | 113.3 | N524 D562 | N520-N524 PolarHBondContact N-OD1 3.37Å; N520-N524 PolarHBondContact OD1-ND2 3.27Å; N520-N524 PolarHBondContact OD1-OD1 2.82Å; N520-D562 HydrophobicContact CB-CB 3.99Å |
| 521 | D | 83 | Confident | 89.4 | Confident | 45 Ų | 45 | 28.5 Ų | 28.5 | 24% | 0.241 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -148 | 171.6 | 177.6 | 72.1 | 51.8 | 0 | 0 | 0 | 112.2 | R483 S523 N524 T525 | R483-D521 IonicContact NH2-OD2 3.38Å; R483-D521 PolarHBondContact NH2-OD2 2.85Å; R483-D521 VanDerWaalsContact NH2-OD2 3.17Å; D521-S523 PolarHBondContact O-N 3.42Å; D521-S523 WeakPolarHBondContact OD1-CA 3.48Å; D521-S523 WeakPolarHBondContact OD1-CB 3.25Å; D521-S523 PolarHBondContact OD1-N 3.44Å; D521-S523 PolarHBondContact OD1-OG 3.44Å; D521-N524 PolarHBondContact N-OD1 2.88Å; D521-N524 PolarHBondContact O-N 2.81Å; D521-N524 PolarHBondContact O-OD1 3.41Å; D521-N524 PolarHBondContact OD1-N 3.14Å; D521-N524 VanDerWaalsContact OD1-N 3.16Å; D521-N524 PolarHBondContact OD1-OD1 3.44Å; D521-T525 WeakPolarHBondContact O-CB 3.22Å; D521-T525 PolarHBondContact O-N 2.85Å; D521-T525 PolarHBondContact O-OG1 2.82Å |
| 522 | K | 82.6 | Confident | 89.7 | Confident | 107 Ų | 107 | 25.8 Ų | 25.8 | 47% | 0.465 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.7 | -177.8 | -67.4 | -177.7 | 178.6 | -175.9 | 0 | 114.3 | K490 G491 M566 E569 | K490-K522 CarbonylContact C-O 3.5Å; K490-K522 VanDerWaalsContact C-O 3.29Å; K490-K522 WeakPolarHBondContact CA-O 3.42Å; G491-K522 PolarHBondContact N-O 3.28Å; K522-M566 HydrophobicContact CG-CE 3.84Å; K522-M566 HydrophobicContact CG-SD 4.12Å; K522-E569 WeakPolarHBondContact CE-OE2 3.32Å; K522-E569 IonicContact NZ-OE2 3.7Å |
| 523 | S | 78.3 | Confident | 89.7 | Confident | 8 Ų | 8 | 29.8 Ų | 29.8 | 6% | 0.056 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | -16.3 | 178.7 | 78.5 | 0 | 0 | 0 | 0 | 113.6 | R483 M486 A487 D521 | R483-S523 PolarHBondContact NE-OG 2.84Å; R483-S523 PolarHBondContact NH2-OG 2.82Å; M486-S523 WeakPolarHBondContact CB-O 3.49Å; A487-S523 PolarHBondContact N-O 2.8Å; D521-S523 PolarHBondContact O-N 3.42Å; D521-S523 WeakPolarHBondContact OD1-CA 3.48Å; D521-S523 WeakPolarHBondContact OD1-CB 3.25Å; D521-S523 PolarHBondContact OD1-N 3.44Å; D521-S523 PolarHBondContact OD1-OG 3.44Å |
| 524 | N | 82.3 | Confident | 89.5 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 19% | 0.187 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -132.7 | -4.5 | -175.5 | 70.1 | 1.7 | 0 | 0 | 0 | 115.3 | M486 N520 D521 K526 | M486-N524 HydrophobicContact CE-CB 4.39Å; N520-N524 PolarHBondContact N-OD1 3.37Å; N520-N524 PolarHBondContact OD1-ND2 3.27Å; N520-N524 PolarHBondContact OD1-OD1 2.82Å; D521-N524 PolarHBondContact N-OD1 2.88Å; D521-N524 PolarHBondContact O-N 2.81Å; D521-N524 PolarHBondContact O-OD1 3.41Å; D521-N524 PolarHBondContact OD1-N 3.14Å; D521-N524 VanDerWaalsContact OD1-N 3.16Å; D521-N524 PolarHBondContact OD1-OD1 3.44Å; N524-K526 PolarHBondContact O-N 2.9Å |
| 525 | T | 89.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 31 Ų | 31 | 1% | 0.006 | 16% | 0.164 | C | C | . | . | trans | -72.7 | 127.1 | 178.5 | -59 | 0 | 0 | 0 | 0 | 111.4 | I517 H518 D521 M566 L570 | I517-T525 HydrophobicContact CG2-CG2 4.21Å; H518-T525 WeakPolarHBondContact O-CA 3.25Å; D521-T525 WeakPolarHBondContact O-CB 3.22Å; D521-T525 PolarHBondContact O-N 2.85Å; D521-T525 PolarHBondContact O-OG1 2.82Å; T525-M566 HydrophobicContact CG2-CB 3.95Å; T525-M566 HydrophobicContact CG2-CE 4.13Å; T525-M566 WeakPolarHBondContact OG1-CE 3.46Å; T525-M566 WeakPolarHBondContact OG1-CG 3.42Å; T525-L570 HydrophobicContact CG2-CD1 4.26Å | ||
| 526 | K | 92.7 | Very high | 88.8 | Confident | 17 Ų | 17 | 32.4 Ų | 32.4 | 7% | 0.074 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.9 | 169.3 | 70.1 | -177.9 | -175.3 | -175.5 | 0 | 111.7 | G479 E481 M486 L493 I495 H518 N524 V528 | G479-K526 PolarHBondContact O-NZ 3.37Å; E481-K526 IonicContact OE2-NZ 3.25Å; E481-K526 PolarHBondContact OE2-NZ 3.44Å; M486-K526 HydrophobicContact SD-CB 4.5Å; M486-K526 HydrophobicContact SD-CD 3.96Å; M486-K526 HydrophobicContact SD-CG 4.46Å; L493-K526 HydrophobicContact CB-CB 4.15Å; L493-K526 HydrophobicContact CD2-CB 3.95Å; L493-K526 HydrophobicContact CD2-CD 4.47Å; L493-K526 HydrophobicContact CG-CB 4.13Å; L493-K526 CarbonylContact O-C 3.41Å; L493-K526 WeakPolarHBondContact O-CA 3.38Å; I495-K526 HydrophobicContact CD1-CD 4.47Å; H518-K526 PolarHBondContact N-O 3.2Å; H518-K526 PolarHBondContact O-N 2.94Å; N524-K526 PolarHBondContact O-N 2.9Å; K526-V528 HydrophobicContact CD-CG2 4.2Å; K526-V528 HydrophobicContact CG-CG2 4.23Å |
| 527 | A | 95.2 | Very high | 88.7 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 127.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | L493 V494 I495 F515 Q516 I517 L570 | L493-A527 PolarHBondContact O-N 3Å; V494-A527 CarbonylContact C-O 3.56Å; V494-A527 WeakPolarHBondContact CA-O 3.38Å; V494-A527 HydrophobicContact CG1-CB 4.48Å; V494-A527 HydrophobicContact CG2-CB 4.41Å; I495-A527 PolarHBondContact N-O 3.23Å; F515-A527 HydrophobicContact CB-CB 4.33Å; Q516-A527 WeakPolarHBondContact O-CA 3.36Å; I517-A527 HydrophobicContact CG1-CB 3.97Å; A527-L570 HydrophobicContact CB-CD1 3.74Å; A527-L570 HydrophobicContact CB-CD2 3.57Å; A527-L570 HydrophobicContact CB-CG 4.34Å |
| 528 | V | 93.6 | Very high | 88.6 | Confident | 8 Ų | 8 | 32.4 Ų | 32.4 | 5% | 0.048 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 126.5 | 176.7 | -170.8 | 0 | 0 | 0 | 0 | 108.4 | I495 F515 Q516 K526 A710 | I495-V528 HydrophobicContact CB-CG1 4.45Å; I495-V528 HydrophobicContact CB-CG2 4.49Å; I495-V528 HydrophobicContact CD1-CG2 4.39Å; I495-V528 WeakPolarHBondContact O-CA 3.24Å; F515-V528 CarbonylContact C-O 3.52Å; F515-V528 WeakPolarHBondContact CA-O 3.37Å; Q516-V528 PolarHBondContact N-O 3.18Å; Q516-V528 PolarHBondContact O-N 3.01Å; K526-V528 HydrophobicContact CD-CG2 4.2Å; K526-V528 HydrophobicContact CG-CG2 4.23Å; V528-A710 HydrophobicContact CB-CB 3.8Å; V528-A710 HydrophobicContact CG1-CB 3.53Å; V528-A710 HydrophobicContact CG2-CB 4.38Å |
| 529 | E | 94.2 | Very high | 88.8 | Confident | 20 Ų | 20 | 28.8 Ų | 28.8 | 9% | 0.093 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.8 | 134 | 174.7 | -175 | 172.2 | -149 | 0 | 0 | 109.8 | I495 F496 E497 R513 L514 F515 | I495-E529 PolarHBondContact O-N 2.8Å; F496-E529 VanDerWaalsContact CA-OE2 3.32Å; F496-E529 WeakPolarHBondContact CA-OE2 3.48Å; F496-E529 WeakPolarHBondContact CB-OE2 2.98Å; E497-E529 HydrophobicContact CB-CB 4.2Å; E497-E529 HydrophobicContact CB-CG 4.28Å; E497-E529 PolarHBondContact N-OE2 3.37Å; R513-E529 WeakPolarHBondContact CD-OE1 3.43Å; R513-E529 WeakPolarHBondContact CG-OE1 3.45Å; R513-E529 IonicContact CZ-OE1 3.46Å; R513-E529 IonicContact NE-OE1 2.6Å; R513-E529 IonicContact NH1-OE1 2.83Å; R513-E529 PolarHBondContact NH1-OE1 3.12Å; R513-E529 IonicContact NH1-OE2 3.15Å; R513-E529 PolarHBondContact NH1-OE2 2.9Å; L514-E529 CarbonylContact O-C 3.1Å; L514-E529 WeakPolarHBondContact O-CA 3.35Å; F515-E529 HydrophobicContact CD1-CB 3.85Å; F515-E529 HydrophobicContact CE1-CB 3.69Å; F515-E529 HydrophobicContact CE1-CG 4.24Å |
| 530 | V | 92.8 | Very high | 88.9 | Confident | 9 Ų | 9 | 30.4 Ų | 30.4 | 6% | 0.055 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 161.4 | 176.5 | -66 | 0 | 0 | 0 | 0 | 108.8 | L514 Q516 A532 F543 A710 | L514-V530 HydrophobicContact CB-CG2 4.15Å; L514-V530 HydrophobicContact CD2-CG2 3.83Å; L514-V530 HydrophobicContact CG-CG2 3.75Å; L514-V530 PolarHBondContact O-N 2.89Å; Q516-V530 HydrophobicContact CB-CG1 4.15Å; V530-A532 PolarHBondContact O-N 3.38Å; V530-F543 HydrophobicContact CG2-CD1 4.48Å; V530-F543 HydrophobicContact CG2-CE1 4.18Å; V530-A710 HydrophobicContact CG1-CB 4.06Å |
| 531 | P | 90.6 | Very high | 89.3 | Confident | 33 Ų | 33 | 26.8 Ų | 26.8 | 21% | 0.214 | 14% | 0.144 | C | C | . | . | trans | -53.6 | 132.1 | 175.3 | -26.9 | 35.8 | 0 | 0 | 0 | 111.4 | F533 S536 P713 | P531-F533 HydrophobicContact CB-CD2 3.52Å; P531-F533 HydrophobicContact CB-CE2 3.76Å; P531-F533 PolarHBondContact O-N 3.47Å; P531-S536 VanDerWaalsContact O-CB 3.24Å; P531-S536 WeakPolarHBondContact O-CB 3.17Å; P531-S536 PolarHBondContact O-OG 2.81Å; P531-P713 HydrophobicContact CG-CG 4.47Å | ||
| 532 | A | 91.8 | Very high | 90 | Very high | 27 Ų | 27 | 24.6 Ų | 24.6 | 22% | 0.223 | 13% | 0.133 | C | C | . | . | S | Bend | trans | -75.8 | 61.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | V512 L514 V530 L595 | V512-A532 HydrophobicContact CG1-CB 3.92Å; L514-A532 HydrophobicContact CB-CB 4.05Å; V530-A532 PolarHBondContact O-N 3.38Å; A532-L595 HydrophobicContact CB-CD2 4.44Å |
| 533 | F | 90.1 | Very high | 90.6 | Very high | 119 Ų | 119 | 19.5 Ų | 19.5 | 52% | 0.522 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -122.1 | 149.8 | 176.9 | -58.9 | -56.2 | 0 | 0 | 0 | 110.4 | P531 S535 S536 L595 | P531-F533 HydrophobicContact CB-CD2 3.52Å; P531-F533 HydrophobicContact CB-CE2 3.76Å; P531-F533 PolarHBondContact O-N 3.47Å; F533-S535 PolarHBondContact O-N 2.81Å; F533-S536 WeakPolarHBondContact O-CB 3.07Å; F533-S536 PolarHBondContact O-N 2.9Å; F533-S536 PolarHBondContact O-OG 3.02Å; F533-L595 WeakPolarHBondContact CA-O 3.25Å |
| 534 | A | 89.1 | Confident | 91.5 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.008 | 11% | 0.108 | C | C | . | . | G | 310 helix | trans | -56.9 | -34.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S536 L537 W592 L595 G597 T599 Y601 | A534-S536 PolarHBondContact O-N 3.3Å; A534-L537 WeakPolarHBondContact O-CB 3.22Å; A534-L537 PolarHBondContact O-N 3.19Å; A534-L537 VanDerWaalsContact O-N 3.16Å; A534-W592 HydrophobicContact CB-CE3 3.87Å; A534-W592 HydrophobicContact CB-CZ3 3.7Å; A534-L595 HydrophobicContact CB-CB 4.26Å; A534-L595 PolarHBondContact N-O 3.15Å; A534-G597 VanDerWaalsContact CB-O 3.24Å; A534-G597 WeakPolarHBondContact CB-O 3.35Å; A534-T599 WeakPolarHBondContact CB-OG1 3.24Å; A534-Y601 WeakPolarHBondContact O-CB 3.37Å |
| 535 | S | 87.2 | Confident | 92.1 | Very high | 54 Ų | 54 | 17.5 Ų | 17.5 | 38% | 0.378 | 10% | 0.1 | S | C | . | . | G | 310 helix | trans | -65.3 | -15.5 | 177.8 | 54 | 0 | 0 | 0 | 0 | 114.8 | F533 L537 T599 | F533-S535 PolarHBondContact O-N 2.81Å; S535-L537 VanDerWaalsContact C-N 3.33Å; S535-T599 PolarHBondContact N-OG1 2.86Å |
| 536 | S | 89.8 | Confident | 92.2 | Very high | 28 Ų | 28 | 20.5 Ų | 20.5 | 20% | 0.196 | 11% | 0.111 | C | C | . | . | G | 310 helix | trans | -81.4 | -13.7 | 176.7 | -53.8 | 0 | 0 | 0 | 0 | 112.9 | P531 F533 A534 F543 | P531-S536 VanDerWaalsContact O-CB 3.24Å; P531-S536 WeakPolarHBondContact O-CB 3.17Å; P531-S536 PolarHBondContact O-OG 2.81Å; F533-S536 WeakPolarHBondContact O-CB 3.07Å; F533-S536 PolarHBondContact O-N 2.9Å; F533-S536 PolarHBondContact O-OG 3.02Å; A534-S536 PolarHBondContact O-N 3.3Å; S536-F543 VanDerWaalsContact O-CE1 3.25Å; S536-F543 WeakPolarHBondContact O-CE1 3.15Å; S536-F543 WeakPolarHBondContact O-CZ 3.26Å |
| 537 | L | 92.8 | Very high | 92 | Very high | 2 Ų | 2 | 20.4 Ų | 20.4 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | trans | -68.8 | 150.3 | 178.5 | -65.5 | 176.2 | 0 | 0 | 0 | 111.8 | L514 A534 S535 F543 W554 F591 W592 L595 Y601 A602 | L514-L537 HydrophobicContact CD1-CD2 4.38Å; L514-L537 HydrophobicContact CD2-CD2 4.36Å; A534-L537 WeakPolarHBondContact O-CB 3.22Å; A534-L537 PolarHBondContact O-N 3.19Å; A534-L537 VanDerWaalsContact O-N 3.16Å; S535-L537 VanDerWaalsContact C-N 3.33Å; L537-F543 HydrophobicContact CD2-CB 3.86Å; L537-F543 HydrophobicContact CD2-CD1 3.8Å; L537-F543 HydrophobicContact CD2-CD2 4Å; L537-F543 HydrophobicContact CD2-CE1 4.32Å; L537-F543 HydrophobicContact CD2-CG 3.6Å; L537-W554 HydrophobicContact CB-CH2 4.33Å; L537-W554 HydrophobicContact CB-CZ3 4.49Å; L537-W554 HydrophobicContact CD1-CZ2 4.37Å; L537-W554 HydrophobicContact CD2-CD2 4.3Å; L537-W554 HydrophobicContact CD2-CE3 4.13Å; L537-W554 HydrophobicContact CD2-CZ3 4.45Å; L537-F591 HydrophobicContact CD1-CE1 4.11Å; L537-F591 HydrophobicContact CD1-CZ 4.22Å; L537-W592 HydrophobicContact CD1-CH2 3.94Å; L537-W592 HydrophobicContact CD1-CZ3 3.8Å; L537-L595 HydrophobicContact CD1-CD1 4.04Å; L537-L595 HydrophobicContact CG-CD1 4.47Å; L537-Y601 HydrophobicContact CB-CD2 3.8Å; L537-Y601 HydrophobicContact CB-CE2 4.35Å; L537-Y601 HydrophobicContact CB-CG 3.93Å; L537-Y601 WeakPolarHBondContact O-CB 3.47Å; L537-A602 PolarHBondContact O-N 2.99Å | ||
| 538 | N | 91.5 | Very high | 91.4 | Very high | 5 Ų | 5 | 28 Ų | 28 | 3% | 0.027 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -139.3 | 122.6 | 178.7 | -172 | -16.9 | 0 | 0 | 0 | 110.6 | N540 D541 F543 W554 A602 G706 | N538-N540 PolarHBondContact O-N 3.06Å; N538-N540 WeakPolarHBondContact OD1-CB 3.47Å; N538-N540 PolarHBondContact OD1-N 2.76Å; N538-D541 PolarHBondContact ND2-OD2 2.74Å; N538-D541 PolarHBondContact O-N 3.24Å; N538-F543 HydrophobicContact CB-CE2 3.82Å; N538-F543 HydrophobicContact CB-CZ 3.83Å; N538-F543 VanDerWaalsContact N-CZ 3.34Å; N538-F543 WeakPolarHBondContact O-CE2 3.25Å; N538-W554 VanDerWaalsContact O-CZ3 3.3Å; N538-W554 WeakPolarHBondContact O-CZ3 3.03Å; N538-A602 WeakPolarHBondContact CA-O 3.47Å; N538-A602 HydrophobicContact CB-CB 4.42Å; N538-G706 WeakPolarHBondContact ND2-CA 3.18Å; N538-G706 PolarHBondContact ND2-O 2.88Å |
| 539 | S | 92.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | -21.3 | 177.9 | -76.3 | 0 | 0 | 0 | 0 | 114.2 | G556 K557 G558 E584 A602 S603 L607 | S539-G556 CarbonylContact O-C 3.55Å; S539-G556 VanDerWaalsContact O-CA 3.22Å; S539-G556 WeakPolarHBondContact O-CA 3.41Å; S539-K557 PolarHBondContact O-N 2.87Å; S539-K557 VanDerWaalsContact O-N 3.17Å; S539-G558 WeakPolarHBondContact O-CA 3.36Å; S539-G558 PolarHBondContact O-N 2.87Å; S539-E584 VanDerWaalsContact CB-OE2 3.26Å; S539-E584 WeakPolarHBondContact CB-OE2 3.3Å; S539-E584 PolarHBondContact OG-OE1 3.35Å; S539-E584 PolarHBondContact OG-OE2 3.38Å; S539-A602 PolarHBondContact N-O 2.89Å; S539-S603 VanDerWaalsContact OG-CA 3.32Å; S539-S603 WeakPolarHBondContact OG-CA 3.4Å; S539-S603 WeakPolarHBondContact OG-CB 3.42Å; S539-L607 CarbonylContact C-O 3.59Å; S539-L607 VanDerWaalsContact C-O 3.27Å |
| 540 | N | 86.3 | Confident | 90.3 | Very high | 39 Ų | 39 | 34.7 Ų | 34.7 | 21% | 0.209 | 19% | 0.193 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -24.5 | -179 | -171.6 | 65.9 | 0 | 0 | 0 | 113.8 | N538 G558 S559 L607 | N538-N540 PolarHBondContact O-N 3.06Å; N538-N540 WeakPolarHBondContact OD1-CB 3.47Å; N538-N540 PolarHBondContact OD1-N 2.76Å; N540-G558 CarbonylContact O-C 3.55Å; N540-S559 VanDerWaalsContact O-CA 3.28Å; N540-S559 WeakPolarHBondContact O-CA 3.43Å; N540-S559 PolarHBondContact O-N 3.48Å; N540-L607 VanDerWaalsContact CA-O 3.25Å; N540-L607 WeakPolarHBondContact CA-O 3.41Å; N540-L607 HydrophobicContact CB-CB 4.41Å; N540-L607 HydrophobicContact CB-CD2 4.15Å; N540-L607 PolarHBondContact N-O 3.02Å |
| 541 | D | 90.9 | Very high | 90.2 | Very high | 4 Ų | 4 | 35.2 Ų | 35.2 | 2% | 0.021 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -123.5 | 179.5 | -167 | -48 | -63.7 | 0 | 0 | 0 | 112.1 | Q516 H518 N538 F543 G556 | Q516-D541 HydrophobicContact CG-CB 4.26Å; Q516-D541 PolarHBondContact NE2-OD2 3.1Å; H518-D541 IonicContact CE1-OD1 3.85Å; H518-D541 IonicContact ND1-OD1 3.67Å; H518-D541 PolarHBondContact ND1-OD1 3.38Å; H518-D541 VanDerWaalsContact ND1-OD1 3.09Å; N538-D541 PolarHBondContact ND2-OD2 2.74Å; N538-D541 PolarHBondContact O-N 3.24Å; D541-F543 HydrophobicContact CB-CE2 4.09Å; D541-G556 PolarHBondContact O-N 3.16Å |
| 542 | V | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 140.3 | 174.5 | 178 | 0 | 0 | 0 | 0 | 109.9 | I517 L553 W554 Y555 E563 R564 A567 | I517-V542 HydrophobicContact CB-CB 4.48Å; I517-V542 PolarHBondContact N-O 3.48Å; I517-V542 PolarHBondContact O-N 2.94Å; V542-L553 HydrophobicContact CG1-CD1 3.73Å; V542-L553 HydrophobicContact CG1-CG 4.15Å; V542-W554 WeakPolarHBondContact CA-O 3.41Å; V542-Y555 HydrophobicContact CB-CD1 4.46Å; V542-Y555 HydrophobicContact CG1-CD1 3.72Å; V542-Y555 HydrophobicContact CG1-CE1 3.87Å; V542-Y555 HydrophobicContact CG2-CD1 3.97Å; V542-Y555 HydrophobicContact CG2-CE1 4.43Å; V542-E563 HydrophobicContact CG2-CG 3.99Å; V542-R564 HydrophobicContact CG2-CG 3.87Å; V542-A567 HydrophobicContact CB-CB 3.87Å; V542-A567 HydrophobicContact CG1-CB 3.39Å; V542-A567 HydrophobicContact CG2-CB 4.32Å |
| 543 | F | 96.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 137.6 | 179 | -72.3 | -104.3 | 0 | 0 | 0 | 111.7 | L514 F515 Q516 V530 S536 L537 N538 D541 L553 W554 | L514-F543 HydrophobicContact CD1-CB 4.03Å; L514-F543 HydrophobicContact CD1-CD1 4Å; L514-F543 HydrophobicContact CD1-CG 4.48Å; L514-F543 HydrophobicContact CD2-CD1 4.25Å; L514-F543 HydrophobicContact CG-CD1 4.05Å; F515-F543 CarbonylContact O-C 3.56Å; F515-F543 WeakPolarHBondContact O-CA 3.49Å; Q516-F543 HydrophobicContact CB-CD1 4.03Å; Q516-F543 HydrophobicContact CB-CE1 3.55Å; Q516-F543 HydrophobicContact CB-CZ 3.93Å; Q516-F543 HydrophobicContact CG-CD1 4.43Å; Q516-F543 HydrophobicContact CG-CE1 3.73Å; Q516-F543 HydrophobicContact CG-CE2 4.09Å; Q516-F543 HydrophobicContact CG-CZ 3.53Å; V530-F543 HydrophobicContact CG2-CD1 4.48Å; V530-F543 HydrophobicContact CG2-CE1 4.18Å; S536-F543 VanDerWaalsContact O-CE1 3.25Å; S536-F543 WeakPolarHBondContact O-CE1 3.15Å; S536-F543 WeakPolarHBondContact O-CZ 3.26Å; L537-F543 HydrophobicContact CD2-CB 3.86Å; L537-F543 HydrophobicContact CD2-CD1 3.8Å; L537-F543 HydrophobicContact CD2-CD2 4Å; L537-F543 HydrophobicContact CD2-CE1 4.32Å; L537-F543 HydrophobicContact CD2-CG 3.6Å; N538-F543 HydrophobicContact CB-CE2 3.82Å; N538-F543 HydrophobicContact CB-CZ 3.83Å; N538-F543 VanDerWaalsContact N-CZ 3.34Å; N538-F543 WeakPolarHBondContact O-CE2 3.25Å; D541-F543 HydrophobicContact CB-CE2 4.09Å; F543-L553 CarbonylContact O-C 3.57Å; F543-W554 HydrophobicContact CB-CB 4.37Å; F543-W554 HydrophobicContact CB-CE3 4.22Å; F543-W554 AromaticContact CD2-CE3 3.71Å; F543-W554 HydrophobicContact CD2-CE3 3.71Å; F543-W554 AromaticContact CD2-CZ3 3.77Å; F543-W554 HydrophobicContact CD2-CZ3 3.77Å; F543-W554 HydrophobicContact CE2-CZ3 4.2Å; F543-W554 HydrophobicContact CG-CE3 4.33Å; F543-W554 PolarHBondContact N-O 3.35Å; F543-W554 PolarHBondContact O-N 2.89Å |
| 544 | L | 96.3 | Very high | 91 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 111.1 | 169.4 | 176.1 | 68 | 0 | 0 | 0 | 109.3 | L514 F515 I517 Y552 L553 A571 L574 | L514-L544 WeakPolarHBondContact CA-O 3.43Å; F515-L544 HydrophobicContact CB-CB 4.32Å; F515-L544 HydrophobicContact CD2-CD2 4.36Å; F515-L544 PolarHBondContact N-O 2.88Å; F515-L544 PolarHBondContact O-N 3.12Å; I517-L544 HydrophobicContact CD1-CB 3.94Å; L544-Y552 WeakPolarHBondContact CA-O 3.39Å; L544-L553 HydrophobicContact CB-CD1 4.25Å; L544-L553 HydrophobicContact CD1-CD1 4.28Å; L544-A571 HydrophobicContact CD1-CB 3.97Å; L544-A571 HydrophobicContact CD2-CB 4.21Å; L544-L574 HydrophobicContact CD2-CB 3.92Å; L544-L574 HydrophobicContact CD2-CD1 3.66Å; L544-L574 HydrophobicContact CD2-CG 4.41Å |
| 545 | L | 95.2 | Very high | 91.3 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 105.7 | 169.8 | 177.8 | 62.4 | 0 | 0 | 0 | 108.6 | V512 R513 L514 H551 Y552 F591 L594 L595 | V512-L545 HydrophobicContact CG1-CD1 3.39Å; R513-L545 CarbonylContact O-C 3.55Å; L514-L545 HydrophobicContact CB-CD1 4.46Å; L514-L545 HydrophobicContact CD1-CB 4.04Å; L514-L545 HydrophobicContact CD1-CD1 4.26Å; L545-H551 WeakPolarHBondContact O-CA 3.4Å; L545-Y552 HydrophobicContact CD2-CD2 4.11Å; L545-Y552 HydrophobicContact CG-CD2 4.48Å; L545-Y552 PolarHBondContact N-O 3.21Å; L545-Y552 PolarHBondContact O-N 2.98Å; L545-F591 HydrophobicContact CB-CE2 4.37Å; L545-F591 HydrophobicContact CD2-CD2 3.8Å; L545-F591 HydrophobicContact CD2-CE2 3.74Å; L545-F591 HydrophobicContact CD2-CZ 4.48Å; L545-L594 HydrophobicContact CD2-CB 4.09Å; L545-L594 HydrophobicContact CD2-CD1 4.31Å; L545-L595 HydrophobicContact CD1-CD2 3.7Å; L545-L595 HydrophobicContact CD1-CG 4.45Å; L545-L595 HydrophobicContact CD2-CD1 4.46Å; L545-L595 HydrophobicContact CD2-CD2 4.17Å; L545-L595 HydrophobicContact CD2-CG 4.03Å |
| 546 | R | 92.3 | Very high | 91.7 | Very high | 63 Ų | 63 | 26.3 Ų | 26.3 | 24% | 0.238 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 123.8 | 179.1 | 174.1 | 175.1 | 157.2 | -165.6 | -19.2 | 109.7 | D509 V512 R513 L574 | D509-R546 IonicContact OD2-CZ 3.59Å; D509-R546 IonicContact OD2-NH2 3.79Å; D509-R546 PolarHBondContact OD2-NH2 3.43Å; V512-R546 CarbonylContact C-O 3.57Å; V512-R546 WeakPolarHBondContact CA-O 3.37Å; R513-R546 PolarHBondContact N-O 2.86Å; R513-R546 PolarHBondContact O-N 3.01Å; R546-L574 PolarHBondContact NH1-O 3.42Å |
| 547 | T | 88.1 | Confident | 91.8 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 10% | 0.098 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 179.1 | 168.4 | 81 | 0 | 0 | 0 | 0 | 111 | P511 V512 A549 E550 H551 L594 | P511-T547 WeakPolarHBondContact O-CA 3.38Å; V512-T547 HydrophobicContact CG1-CG2 4.46Å; V512-T547 HydrophobicContact CG2-CG2 4.29Å; T547-A549 VanDerWaalsContact C-N 3.29Å; T547-A549 PolarHBondContact OG1-N 2.88Å; T547-E550 WeakPolarHBondContact CB-O 3.1Å; T547-E550 PolarHBondContact N-O 3.45Å; T547-E550 VanDerWaalsContact N-O 3.15Å; T547-E550 PolarHBondContact OG1-N 2.88Å; T547-E550 PolarHBondContact OG1-O 3.36Å; T547-H551 PolarHBondContact O-CE1 2.75Å; T547-H551 PolarHBondContact O-ND1 3.43Å; T547-L594 HydrophobicContact CG2-CD1 3.81Å; T547-L594 HydrophobicContact CG2-CD2 3.87Å; T547-L594 HydrophobicContact CG2-CG 4.37Å |
| 548 | Q | 82.8 | Confident | 91.5 | Very high | 160 Ų | 160 | 29.7 Ų | 29.7 | 75% | 0.748 | 15% | 0.151 | S | C | * | . | S | Bend | trans | -71.8 | -18.9 | 174.1 | -66.3 | -178.2 | -3.3 | 0 | 0 | 114.1 | P511 | P511-Q548 PolarHBondContact O-N 2.67Š|
| 549 | A | 79.3 | Confident | 91.3 | Very high | 89 Ų | 89 | 29.4 Ų | 29.4 | 74% | 0.736 | 15% | 0.15 | S | C | * | . | S | Bend | trans | -116.3 | -49.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T547 | T547-A549 VanDerWaalsContact C-N 3.29Å; T547-A549 PolarHBondContact OG1-N 2.88Å |
| 550 | E | 84.8 | Confident | 91 | Very high | 78 Ų | 78 | 30.9 Ų | 30.9 | 36% | 0.364 | 16% | 0.16 | S | C | . | . | trans | -127.4 | 153.8 | -179.3 | -62 | -159.9 | 148.6 | 0 | 0 | 112.2 | T547 Y552 | T547-E550 WeakPolarHBondContact CB-O 3.1Å; T547-E550 PolarHBondContact N-O 3.45Å; T547-E550 VanDerWaalsContact N-O 3.15Å; T547-E550 PolarHBondContact OG1-N 2.88Å; T547-E550 PolarHBondContact OG1-O 3.36Å; E550-Y552 HydrophobicContact CB-CE2 4.06Å; E550-Y552 PolarHBondContact OE2-OH 3.34Å | ||
| 551 | H | 91.6 | Very high | 90.9 | Very high | 20 Ų | 20 | 30.9 Ų | 30.9 | 9% | 0.093 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 134.2 | 178.5 | -49.7 | -57.1 | 0 | 0 | 0 | 109 | L545 T547 C575 E579 N580 | L545-H551 WeakPolarHBondContact O-CA 3.4Å; T547-H551 PolarHBondContact O-CE1 2.75Å; T547-H551 PolarHBondContact O-ND1 3.43Å; H551-C575 HydrophobicContact CB-CB 4.48Å; H551-C575 VanDerWaalsContact CD2-CB 3.43Å; H551-C575 WeakPolarHBondContact CD2-CB 3.26Å; H551-C575 VanDerWaalsContact CG-SG 3.53Å; H551-E579 HydrophobicContact CB-CB 4.46Å; H551-N580 PolarHBondContact O-N 3.41Å |
| 552 | Y | 94.8 | Very high | 90.7 | Very high | 10 Ų | 10 | 35.8 Ų | 35.8 | 4% | 0.039 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 127 | 178.6 | -59 | -91.3 | 0 | 0 | 0 | 110.1 | L544 L545 E550 N580 V582 F591 L594 | L544-Y552 WeakPolarHBondContact CA-O 3.39Å; L545-Y552 HydrophobicContact CD2-CD2 4.11Å; L545-Y552 HydrophobicContact CG-CD2 4.48Å; L545-Y552 PolarHBondContact N-O 3.21Å; L545-Y552 PolarHBondContact O-N 2.98Å; E550-Y552 HydrophobicContact CB-CE2 4.06Å; E550-Y552 PolarHBondContact OE2-OH 3.34Å; Y552-N580 WeakPolarHBondContact CA-O 3.34Å; Y552-N580 HydrophobicContact CD1-CB 3.85Å; Y552-N580 HydrophobicContact CE1-CB 4.12Å; Y552-V582 HydrophobicContact CD1-CG2 3.7Å; Y552-F591 HydrophobicContact CD1-CD2 4.12Å; Y552-F591 HydrophobicContact CD2-CD2 4.23Å; Y552-F591 AromaticContact CG-CD2 3.82Å; Y552-F591 HydrophobicContact CG-CD2 3.82Å; Y552-F591 HydrophobicContact CG-CE2 4.38Å; Y552-L594 HydrophobicContact CD2-CD1 4.26Å; Y552-L594 HydrophobicContact CE2-CD1 3.6Å |
| 553 | L | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 98.1 | 171.2 | -168.3 | 65.3 | 0 | 0 | 0 | 108 | I517 V542 F543 L544 Y555 A567 K568 A571 E579 N580 T581 V582 | I517-L553 HydrophobicContact CD1-CD1 4.33Å; V542-L553 HydrophobicContact CG1-CD1 3.73Å; V542-L553 HydrophobicContact CG1-CG 4.15Å; F543-L553 CarbonylContact O-C 3.57Å; L544-L553 HydrophobicContact CB-CD1 4.25Å; L544-L553 HydrophobicContact CD1-CD1 4.28Å; L553-Y555 HydrophobicContact CD2-CE1 3.58Å; L553-Y555 WeakPolarHBondContact CD2-OH 3.32Å; L553-Y555 HydrophobicContact CG-CD1 4.31Å; L553-Y555 HydrophobicContact CG-CE1 3.58Å; L553-A567 HydrophobicContact CD1-CB 4.26Å; L553-K568 HydrophobicContact CD2-CB 4.15Å; L553-K568 HydrophobicContact CD2-CG 4.5Å; L553-A571 HydrophobicContact CD1-CB 4.21Å; L553-E579 HydrophobicContact CB-CB 4.35Å; L553-E579 HydrophobicContact CB-CG 4.14Å; L553-E579 HydrophobicContact CD2-CG 4.3Å; L553-N580 PolarHBondContact N-O 3.09Å; L553-T581 WeakPolarHBondContact O-CA 3.5Å; L553-V582 PolarHBondContact O-N 3.3Å |
| 554 | W | 97.3 | Very high | 90.1 | Very high | 1 Ų | 1 | 39.8 Ų | 39.8 | 0% | 0.004 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 123.1 | -175.3 | -177.4 | 91.9 | 0 | 0 | 0 | 110.7 | L537 N538 V542 F543 G556 V582 E584 E587 F591 Y601 | L537-W554 HydrophobicContact CB-CH2 4.33Å; L537-W554 HydrophobicContact CB-CZ3 4.49Å; L537-W554 HydrophobicContact CD1-CZ2 4.37Å; L537-W554 HydrophobicContact CD2-CD2 4.3Å; L537-W554 HydrophobicContact CD2-CE3 4.13Å; L537-W554 HydrophobicContact CD2-CZ3 4.45Å; N538-W554 VanDerWaalsContact O-CZ3 3.3Å; N538-W554 WeakPolarHBondContact O-CZ3 3.03Å; V542-W554 WeakPolarHBondContact CA-O 3.41Å; F543-W554 HydrophobicContact CB-CB 4.37Å; F543-W554 HydrophobicContact CB-CE3 4.22Å; F543-W554 AromaticContact CD2-CE3 3.71Å; F543-W554 HydrophobicContact CD2-CE3 3.71Å; F543-W554 AromaticContact CD2-CZ3 3.77Å; F543-W554 HydrophobicContact CD2-CZ3 3.77Å; F543-W554 HydrophobicContact CE2-CZ3 4.2Å; F543-W554 HydrophobicContact CG-CE3 4.33Å; F543-W554 PolarHBondContact N-O 3.35Å; F543-W554 PolarHBondContact O-N 2.89Å; W554-G556 VanDerWaalsContact CZ3-CA 3.45Å; W554-V582 CarbonylContact C-O 3.58Å; W554-V582 VanDerWaalsContact CA-O 3.26Å; W554-V582 WeakPolarHBondContact CA-O 3.41Å; W554-E584 HydrophobicContact CH2-CB 4.24Å; W554-E584 HydrophobicContact CH2-CG 4.31Å; W554-E584 HydrophobicContact CZ2-CB 3.58Å; W554-E584 HydrophobicContact CZ2-CG 3.65Å; W554-E587 PolarHBondContact NE1-OE1 3.12Å; W554-F591 HydrophobicContact CB-CE2 4.23Å; W554-F591 HydrophobicContact CB-CZ 4.13Å; W554-F591 AromaticContact CD1-CZ 3.67Å; W554-F591 HydrophobicContact CG-CZ 4.01Å; W554-Y601 HydrophobicContact CH2-CE2 4.05Å; W554-Y601 HydrophobicContact CZ2-CE2 4.04Å |
| 555 | Y | 96.7 | Very high | 89.8 | Confident | 37 Ų | 37 | 42.5 Ų | 42.5 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 108.1 | 179.5 | -64.1 | -20.6 | 0 | 0 | 0 | 110.4 | V542 L553 R564 T581 V582 E584 | V542-Y555 HydrophobicContact CB-CD1 4.46Å; V542-Y555 HydrophobicContact CG1-CD1 3.72Å; V542-Y555 HydrophobicContact CG1-CE1 3.87Å; V542-Y555 HydrophobicContact CG2-CD1 3.97Å; V542-Y555 HydrophobicContact CG2-CE1 4.43Å; L553-Y555 HydrophobicContact CD2-CE1 3.58Å; L553-Y555 WeakPolarHBondContact CD2-OH 3.32Å; L553-Y555 HydrophobicContact CG-CD1 4.31Å; L553-Y555 HydrophobicContact CG-CE1 3.58Å; Y555-R564 HydrophobicContact CD1-CB 4.4Å; Y555-R564 HydrophobicContact CD1-CG 3.86Å; Y555-R564 HydrophobicContact CD2-CG 4.2Å; Y555-R564 HydrophobicContact CE1-CB 3.99Å; Y555-R564 HydrophobicContact CE1-CG 3.96Å; Y555-R564 HydrophobicContact CE2-CB 4.33Å; Y555-R564 HydrophobicContact CE2-CG 4.29Å; Y555-R564 HydrophobicContact CG-CG 3.99Å; Y555-T581 HydrophobicContact CD2-CG2 3.57Å; Y555-T581 HydrophobicContact CE1-CG2 4.45Å; Y555-T581 HydrophobicContact CE2-CG2 3.16Å; Y555-T581 HydrophobicContact CG-CG2 4.36Å; Y555-V582 PolarHBondContact N-O 2.76Å; Y555-E584 WeakPolarHBondContact O-CB 3.43Å; Y555-E584 PolarHBondContact O-N 3.13Å |
| 556 | G | 94.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 24% | 0.237 | C | C | . | . | trans | -61 | 146.8 | 168 | 0 | 0 | 0 | 0 | 0 | 110.9 | S539 D541 W554 G558 S559 | S539-G556 CarbonylContact O-C 3.55Å; S539-G556 VanDerWaalsContact O-CA 3.22Å; S539-G556 WeakPolarHBondContact O-CA 3.41Å; D541-G556 PolarHBondContact O-N 3.16Å; W554-G556 VanDerWaalsContact CZ3-CA 3.45Å; G556-G558 PolarHBondContact O-N 3.28Å; G556-S559 WeakPolarHBondContact O-CB 3.47Å; G556-S559 PolarHBondContact O-N 2.78Å; G556-S559 VanDerWaalsContact O-N 3.09Å; G556-S559 PolarHBondContact O-OG 2.88Å | ||
| 557 | K | 92.3 | Very high | 89.7 | Confident | 97 Ų | 97 | 40.1 Ų | 40.1 | 42% | 0.422 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -32.4 | -177.9 | -78.1 | 169.6 | -166.5 | 139.5 | 0 | 114 | S539 E584 Q608 | S539-K557 PolarHBondContact O-N 2.87Å; S539-K557 VanDerWaalsContact O-N 3.17Å; K557-E584 HydrophobicContact CD-CG 4.42Å; K557-E584 WeakPolarHBondContact CD-OE1 3.37Å; K557-E584 WeakPolarHBondContact CE-OE1 3.37Å; K557-E584 HydrophobicContact CG-CB 4.11Å; K557-E584 HydrophobicContact CG-CG 4.3Å; K557-E584 PolarHBondContact N-OE2 3.23Å; K557-E584 IonicContact NZ-OE1 3.72Å; K557-E584 PolarHBondContact NZ-OE1 3.46Å; K557-Q608 CarbonylContact C-O 3.51Å; K557-Q608 HydrophobicContact CB-CB 3.84Å; K557-Q608 HydrophobicContact CB-CG 3.99Å; K557-Q608 HydrophobicContact CD-CB 4.34Å; K557-Q608 HydrophobicContact CD-CG 4.05Å |
| 558 | G | 85.9 | Confident | 89.8 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 3% | 0.031 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.8 | -10.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | S539 N540 G556 S560 L607 E610 | S539-G558 WeakPolarHBondContact O-CA 3.36Å; S539-G558 PolarHBondContact O-N 2.87Å; N540-G558 CarbonylContact O-C 3.55Å; G556-G558 PolarHBondContact O-N 3.28Å; G558-S560 PolarHBondContact O-N 3.22Å; G558-L607 WeakPolarHBondContact CA-O 3.44Å; G558-E610 WeakPolarHBondContact O-CA 3.43Å |
| 559 | S | 88 | Confident | 90.2 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | -61.6 | 137.5 | 177.3 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | N540 G556 E563 R564 | N540-S559 VanDerWaalsContact O-CA 3.28Å; N540-S559 WeakPolarHBondContact O-CA 3.43Å; N540-S559 PolarHBondContact O-N 3.48Å; G556-S559 WeakPolarHBondContact O-CB 3.47Å; G556-S559 PolarHBondContact O-N 2.78Å; G556-S559 VanDerWaalsContact O-N 3.09Å; G556-S559 PolarHBondContact O-OG 2.88Å; S559-E563 WeakPolarHBondContact CA-OE2 3.31Å; S559-R564 VanDerWaalsContact O-CZ 3.25Å; S559-R564 PolarHBondContact O-NE 3.27Å; S559-R564 PolarHBondContact O-NH2 3.49Å; S559-R564 PolarHBondContact OG-NE 3.27Å; S559-R564 PolarHBondContact OG-NH2 3.25Å | ||
| 560 | S | 85.9 | Confident | 90.7 | Very high | 30 Ų | 30 | 37.3 Ų | 37.3 | 21% | 0.21 | 19% | 0.194 | C | C | . | . | trans | -79.7 | 157.6 | -177.9 | 70.6 | 0 | 0 | 0 | 0 | 113 | G558 D562 E563 R564 E610 | G558-S560 PolarHBondContact O-N 3.22Å; S560-D562 VanDerWaalsContact C-N 3.27Å; S560-D562 PolarHBondContact O-N 2.84Å; S560-E563 PolarHBondContact N-OE2 2.86Å; S560-E563 PolarHBondContact O-N 2.82Å; S560-E563 VanDerWaalsContact OG-CB 3.24Å; S560-E563 WeakPolarHBondContact OG-CB 3.41Å; S560-E563 PolarHBondContact OG-N 3.25Å; S560-R564 VanDerWaalsContact O-CG 3.3Å; S560-R564 WeakPolarHBondContact O-CG 3.26Å; S560-R564 PolarHBondContact O-N 2.75Å; S560-E610 WeakPolarHBondContact CA-OE1 3.37Å | ||
| 561 | G | 84.9 | Confident | 91 | Very high | 39 Ų | 39 | 33.6 Ų | 33.6 | 40% | 0.402 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -54.3 | -41.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | A565 E610 | G561-A565 PolarHBondContact O-N 3.09Å; G561-A565 VanDerWaalsContact O-N 3.17Å; G561-E610 PolarHBondContact N-OE1 3.2Å; G561-E610 VanDerWaalsContact N-OE1 3.16Å |
| 562 | D | 85.3 | Confident | 90.8 | Very high | 108 Ų | 108 | 36.5 Ų | 36.5 | 58% | 0.578 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -69.2 | -41 | 179.4 | -70.3 | -24.5 | 0 | 0 | 0 | 111.6 | N520 S560 A565 M566 | N520-D562 HydrophobicContact CB-CB 3.99Å; S560-D562 VanDerWaalsContact C-N 3.27Å; S560-D562 PolarHBondContact O-N 2.84Å; D562-A565 WeakPolarHBondContact O-CB 3.21Å; D562-A565 PolarHBondContact O-N 3.33Å; D562-M566 WeakPolarHBondContact O-CG 3.32Å; D562-M566 PolarHBondContact O-N 3.05Å |
| 563 | E | 87.4 | Confident | 90.3 | Very high | 11 Ų | 11 | 39.5 Ų | 39.5 | 5% | 0.051 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 176.3 | -178.6 | 175.4 | -140.5 | 0 | 0 | 112.2 | H518 G519 V542 S559 S560 A565 M566 A567 | H518-E563 IonicContact ND1-OE1 2.7Å; G519-E563 VanDerWaalsContact O-CA 3.29Å; G519-E563 WeakPolarHBondContact O-CA 3.41Å; G519-E563 WeakPolarHBondContact O-CB 3.34Å; G519-E563 WeakPolarHBondContact O-CG 3.34Å; V542-E563 HydrophobicContact CG2-CG 3.99Å; S559-E563 WeakPolarHBondContact CA-OE2 3.31Å; S560-E563 PolarHBondContact N-OE2 2.86Å; S560-E563 PolarHBondContact O-N 2.82Å; S560-E563 VanDerWaalsContact OG-CB 3.24Å; S560-E563 WeakPolarHBondContact OG-CB 3.41Å; S560-E563 PolarHBondContact OG-N 3.25Å; E563-A565 VanDerWaalsContact C-N 3.29Å; E563-A565 PolarHBondContact O-N 3Å; E563-M566 PolarHBondContact O-N 2.84Å; E563-A567 VanDerWaalsContact O-CB 3.23Å; E563-A567 WeakPolarHBondContact O-CB 3.36Å; E563-A567 PolarHBondContact O-N 2.9Å |
| 564 | R | 92.2 | Very high | 89.8 | Confident | 73 Ų | 73 | 39.9 Ų | 39.9 | 28% | 0.275 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -61.5 | -37.9 | 174 | -66.5 | 171.3 | -166.7 | 171.3 | 8.2 | 112.2 | V542 Y555 S559 S560 K568 | V542-R564 HydrophobicContact CG2-CG 3.87Å; Y555-R564 HydrophobicContact CD1-CB 4.4Å; Y555-R564 HydrophobicContact CD1-CG 3.86Å; Y555-R564 HydrophobicContact CD2-CG 4.2Å; Y555-R564 HydrophobicContact CE1-CB 3.99Å; Y555-R564 HydrophobicContact CE1-CG 3.96Å; Y555-R564 HydrophobicContact CE2-CB 4.33Å; Y555-R564 HydrophobicContact CE2-CG 4.29Å; Y555-R564 HydrophobicContact CG-CG 3.99Å; S559-R564 VanDerWaalsContact O-CZ 3.25Å; S559-R564 PolarHBondContact O-NE 3.27Å; S559-R564 PolarHBondContact O-NH2 3.49Å; S559-R564 PolarHBondContact OG-NE 3.27Å; S559-R564 PolarHBondContact OG-NH2 3.25Å; S560-R564 VanDerWaalsContact O-CG 3.3Å; S560-R564 WeakPolarHBondContact O-CG 3.26Å; S560-R564 PolarHBondContact O-N 2.75Å; R564-K568 WeakPolarHBondContact O-CB 3.3Å; R564-K568 PolarHBondContact O-N 2.85Å; R564-K568 VanDerWaalsContact O-N 3.1Å |
| 565 | A | 90.8 | Very high | 89.2 | Confident | 56 Ų | 56 | 40.2 Ų | 40.2 | 46% | 0.463 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -67.6 | -46.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | G561 D562 E563 A567 K568 E569 | G561-A565 PolarHBondContact O-N 3.09Å; G561-A565 VanDerWaalsContact O-N 3.17Å; D562-A565 WeakPolarHBondContact O-CB 3.21Å; D562-A565 PolarHBondContact O-N 3.33Å; E563-A565 VanDerWaalsContact C-N 3.29Å; E563-A565 PolarHBondContact O-N 3Å; A565-A567 PolarHBondContact O-N 3.18Å; A565-K568 PolarHBondContact O-N 2.9Å; A565-E569 PolarHBondContact O-N 3.47Å; A565-E569 VanDerWaalsContact O-N 3.12Å |
| 566 | M | 92 | Very high | 88 | Confident | 15 Ų | 15 | 47.1 Ų | 47.1 | 7% | 0.074 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62 | -42.2 | 176.1 | -74.2 | -52.5 | -50.8 | 0 | 0 | 112.2 | K522 T525 D562 E563 K568 E569 L570 | K522-M566 HydrophobicContact CG-CE 3.84Å; K522-M566 HydrophobicContact CG-SD 4.12Å; T525-M566 HydrophobicContact CG2-CB 3.95Å; T525-M566 HydrophobicContact CG2-CE 4.13Å; T525-M566 WeakPolarHBondContact OG1-CE 3.46Å; T525-M566 WeakPolarHBondContact OG1-CG 3.42Å; D562-M566 WeakPolarHBondContact O-CG 3.32Å; D562-M566 PolarHBondContact O-N 3.05Å; E563-M566 PolarHBondContact O-N 2.84Å; M566-K568 VanDerWaalsContact C-N 3.28Å; M566-K568 PolarHBondContact O-N 2.83Å; M566-E569 PolarHBondContact O-N 2.78Å; M566-L570 PolarHBondContact O-N 2.81Å |
| 567 | A | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.7 | -35.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I517 V542 L553 E563 A565 L570 A571 | I517-A567 HydrophobicContact CB-CB 4.16Å; I517-A567 HydrophobicContact CD1-CB 3.76Å; I517-A567 HydrophobicContact CG2-CB 3.8Å; V542-A567 HydrophobicContact CB-CB 3.87Å; V542-A567 HydrophobicContact CG1-CB 3.39Å; V542-A567 HydrophobicContact CG2-CB 4.32Å; L553-A567 HydrophobicContact CD1-CB 4.26Å; E563-A567 VanDerWaalsContact O-CB 3.23Å; E563-A567 WeakPolarHBondContact O-CB 3.36Å; E563-A567 PolarHBondContact O-N 2.9Å; A565-A567 PolarHBondContact O-N 3.18Å; A567-L570 PolarHBondContact O-N 2.7Å; A567-A571 VanDerWaalsContact O-CB 3.24Å; A567-A571 WeakPolarHBondContact O-CB 3.48Å; A567-A571 PolarHBondContact O-N 2.82Å |
| 568 | K | 92.1 | Very high | 85.8 | Confident | 105 Ų | 105 | 49.1 Ų | 49.1 | 46% | 0.457 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -68.1 | -41.9 | 174.6 | -169.4 | 172.1 | -175.5 | 168.5 | 0 | 112.3 | L553 R564 A565 M566 L570 A571 S572 E579 | L553-K568 HydrophobicContact CD2-CB 4.15Å; L553-K568 HydrophobicContact CD2-CG 4.5Å; R564-K568 WeakPolarHBondContact O-CB 3.3Å; R564-K568 PolarHBondContact O-N 2.85Å; R564-K568 VanDerWaalsContact O-N 3.1Å; A565-K568 PolarHBondContact O-N 2.9Å; M566-K568 VanDerWaalsContact C-N 3.28Å; M566-K568 PolarHBondContact O-N 2.83Å; K568-L570 VanDerWaalsContact C-N 3.33Å; K568-L570 PolarHBondContact O-N 2.9Å; K568-A571 PolarHBondContact O-N 2.99Å; K568-S572 PolarHBondContact O-N 3.4Å; K568-S572 VanDerWaalsContact O-N 3.15Å; K568-E579 VanDerWaalsContact CE-OE1 3.22Å; K568-E579 WeakPolarHBondContact CE-OE1 3.32Å |
| 569 | E | 90.4 | Very high | 85.5 | Confident | 98 Ų | 98 | 50.9 Ų | 50.9 | 46% | 0.458 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 173.1 | -70.4 | -168.2 | -178.4 | 0 | 0 | 110.8 | K522 A565 M566 S572 | K522-E569 WeakPolarHBondContact CE-OE2 3.32Å; K522-E569 IonicContact NZ-OE2 3.7Å; A565-E569 PolarHBondContact O-N 3.47Å; A565-E569 VanDerWaalsContact O-N 3.12Å; M566-E569 PolarHBondContact O-N 2.78Å; E569-S572 PolarHBondContact O-N 2.96Å; E569-S572 PolarHBondContact O-OG 3.5Å |
| 570 | L | 89.9 | Confident | 85.5 | Confident | 2 Ų | 2 | 54.1 Ų | 54.1 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -68 | -39.9 | 180 | -166.3 | 153.4 | 0 | 0 | 0 | 112.2 | V494 I517 T525 A527 M566 A567 K568 S572 L573 L574 | V494-L570 HydrophobicContact CG2-CD1 4.46Å; V494-L570 HydrophobicContact CG2-CD2 4.19Å; V494-L570 HydrophobicContact CG2-CG 4.43Å; I517-L570 HydrophobicContact CD1-CD2 4.18Å; T525-L570 HydrophobicContact CG2-CD1 4.26Å; A527-L570 HydrophobicContact CB-CD1 3.74Å; A527-L570 HydrophobicContact CB-CD2 3.57Å; A527-L570 HydrophobicContact CB-CG 4.34Å; M566-L570 PolarHBondContact O-N 2.81Å; A567-L570 PolarHBondContact O-N 2.7Å; K568-L570 VanDerWaalsContact C-N 3.33Å; K568-L570 PolarHBondContact O-N 2.9Å; L570-S572 VanDerWaalsContact C-N 3.3Å; L570-S572 PolarHBondContact O-N 3.05Å; L570-L573 WeakPolarHBondContact O-CB 3.48Å; L570-L573 PolarHBondContact O-N 3.41Å; L570-L573 VanDerWaalsContact O-N 3.08Å; L570-L574 HydrophobicContact CD2-CD1 3.43Å; L570-L574 VanDerWaalsContact CD2-CD1 3.43Å; L570-L574 HydrophobicContact CD2-CG 4.04Å; L570-L574 PolarHBondContact O-N 3.19Å |
| 571 | A | 90.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.9 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | L544 L553 A567 K568 L573 L574 C575 | L544-A571 HydrophobicContact CD1-CB 3.97Å; L544-A571 HydrophobicContact CD2-CB 4.21Å; L553-A571 HydrophobicContact CD1-CB 4.21Å; A567-A571 VanDerWaalsContact O-CB 3.24Å; A567-A571 WeakPolarHBondContact O-CB 3.48Å; A567-A571 PolarHBondContact O-N 2.82Å; K568-A571 PolarHBondContact O-N 2.99Å; A571-L573 PolarHBondContact O-N 3.31Å; A571-L574 PolarHBondContact O-N 3.39Å; A571-C575 WeakPolarHBondContact O-CB 3.39Å; A571-C575 PolarHBondContact O-N 3.27Å; A571-C575 VanDerWaalsContact O-N 3.08Å; A571-C575 PolarHBondContact O-SG 2.92Å; A571-C575 VanDerWaalsContact O-SG 3.41Å |
| 572 | S | 87.4 | Confident | 86.4 | Confident | 81 Ų | 81 | 55 Ų | 55 | 57% | 0.566 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -64.2 | -19.7 | 176.8 | 76 | 0 | 0 | 0 | 0 | 114.2 | K568 E569 L570 | K568-S572 PolarHBondContact O-N 3.4Å; K568-S572 VanDerWaalsContact O-N 3.15Å; E569-S572 PolarHBondContact O-N 2.96Å; E569-S572 PolarHBondContact O-OG 3.5Å; L570-S572 VanDerWaalsContact C-N 3.3Å; L570-S572 PolarHBondContact O-N 3.05Å |
| 573 | L | 84.6 | Confident | 86.8 | Confident | 73 Ų | 73 | 52.3 Ų | 52.3 | 38% | 0.382 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -84.9 | -30.6 | 173.6 | -177.6 | 68.4 | 0 | 0 | 0 | 112.1 | F417 K492 L570 A571 | F417-L573 HydrophobicContact CE2-CD2 4.04Å; F417-L573 HydrophobicContact CZ-CD2 3.87Å; F417-L573 HydrophobicContact CZ-CG 4.02Å; K492-L573 HydrophobicContact CB-CD2 3.79Å; K492-L573 HydrophobicContact CD-CD2 3.97Å; K492-L573 HydrophobicContact CG-CD2 3.94Å; L570-L573 WeakPolarHBondContact O-CB 3.48Å; L570-L573 PolarHBondContact O-N 3.41Å; L570-L573 VanDerWaalsContact O-N 3.08Å; A571-L573 PolarHBondContact O-N 3.31Å |
| 574 | L | 85.6 | Confident | 87.3 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -91 | -14.8 | -174.2 | -73.8 | -175.9 | 0 | 0 | 0 | 114.6 | F417 V494 F515 L544 R546 L570 A571 | F417-L574 HydrophobicContact CD1-CD2 4.42Å; F417-L574 HydrophobicContact CE1-CD2 3.46Å; F417-L574 VanDerWaalsContact CE1-CD2 3.46Å; F417-L574 HydrophobicContact CZ-CD2 4.08Å; V494-L574 HydrophobicContact CG1-CD1 4.22Å; V494-L574 HydrophobicContact CG1-CD2 4.16Å; V494-L574 HydrophobicContact CG2-CD1 4.21Å; V494-L574 HydrophobicContact CG2-CD2 4.06Å; V494-L574 HydrophobicContact CG2-CG 4.36Å; F515-L574 HydrophobicContact CD2-CD1 4.4Å; F515-L574 HydrophobicContact CE2-CD1 4.47Å; L544-L574 HydrophobicContact CD2-CB 3.92Å; L544-L574 HydrophobicContact CD2-CD1 3.66Å; L544-L574 HydrophobicContact CD2-CG 4.41Å; R546-L574 PolarHBondContact NH1-O 3.42Å; L570-L574 HydrophobicContact CD2-CD1 3.43Å; L570-L574 VanDerWaalsContact CD2-CD1 3.43Å; L570-L574 HydrophobicContact CD2-CG 4.04Å; L570-L574 PolarHBondContact O-N 3.19Å; A571-L574 PolarHBondContact O-N 3.39Å |
| 575 | C | 84.9 | Confident | 87.3 | Confident | 9 Ų | 9 | 51.2 Ų | 51.2 | 6% | 0.061 | 32% | 0.317 | C | S | . | . | trans | -124.6 | 131.6 | -170.9 | -58.7 | 0 | 0 | 0 | 0 | 110.8 | H551 A571 G577 | H551-C575 HydrophobicContact CB-CB 4.48Å; H551-C575 VanDerWaalsContact CD2-CB 3.43Å; H551-C575 WeakPolarHBondContact CD2-CB 3.26Å; H551-C575 VanDerWaalsContact CG-SG 3.53Å; A571-C575 WeakPolarHBondContact O-CB 3.39Å; A571-C575 PolarHBondContact O-N 3.27Å; A571-C575 VanDerWaalsContact O-N 3.08Å; A571-C575 PolarHBondContact O-SG 2.92Å; A571-C575 VanDerWaalsContact O-SG 3.41Å; C575-G577 PolarHBondContact O-N 3.41Å | ||
| 576 | D | 71.9 | Confident | 87.5 | Confident | 181 Ų | 181 | 56 Ų | 56 | 97% | 0.968 | 33% | 0.33 | S | S | * | . | S | Bend | trans | -84.5 | 14.7 | 177 | -67.2 | -34.4 | 0 | 0 | 0 | 112.8 | ||
| 577 | G | 68.1 | Low | 87.7 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 41% | 0.412 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -155.4 | 179.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | C575 | C575-G577 PolarHBondContact O-N 3.41Š|
| 578 | S | 70.8 | Confident | 87.8 | Confident | 100 Ų | 100 | 59 Ų | 59 | 70% | 0.699 | 35% | 0.349 | S | S | * | . | trans | -74.3 | 129.7 | -178.2 | 56.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 579 | E | 80.9 | Confident | 87.8 | Confident | 39 Ų | 39 | 57.5 Ų | 57.5 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 129.6 | 173 | 69.4 | -70.2 | 171.2 | 0 | 0 | 112.5 | H551 L553 K568 T581 | H551-E579 HydrophobicContact CB-CB 4.46Å; L553-E579 HydrophobicContact CB-CB 4.35Å; L553-E579 HydrophobicContact CB-CG 4.14Å; L553-E579 HydrophobicContact CD2-CG 4.3Å; K568-E579 VanDerWaalsContact CE-OE1 3.22Å; K568-E579 WeakPolarHBondContact CE-OE1 3.32Å; E579-T581 PolarHBondContact O-N 2.96Å |
| 580 | N | 88.4 | Confident | 87.9 | Confident | 68 Ų | 68 | 58.3 Ų | 58.3 | 36% | 0.364 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 109.5 | 170.9 | -72.7 | -32.5 | 0 | 0 | 0 | 108.7 | H551 Y552 L553 V582 | H551-N580 PolarHBondContact O-N 3.41Å; Y552-N580 WeakPolarHBondContact CA-O 3.34Å; Y552-N580 HydrophobicContact CD1-CB 3.85Å; Y552-N580 HydrophobicContact CE1-CB 4.12Å; L553-N580 PolarHBondContact N-O 3.09Å; N580-V582 PolarHBondContact O-N 3.45Å |
| 581 | T | 93.3 | Very high | 88.1 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 44% | 0.442 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126.3 | 174.5 | -54.7 | 0 | 0 | 0 | 0 | 110.4 | L553 Y555 E579 | L553-T581 WeakPolarHBondContact O-CA 3.5Å; Y555-T581 HydrophobicContact CD2-CG2 3.57Å; Y555-T581 HydrophobicContact CE1-CG2 4.45Å; Y555-T581 HydrophobicContact CE2-CG2 3.16Å; Y555-T581 HydrophobicContact CG-CG2 4.36Å; E579-T581 PolarHBondContact O-N 2.96Å |
| 582 | V | 94.8 | Very high | 88.3 | Confident | 16 Ų | 16 | 59 Ų | 59 | 10% | 0.097 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 120.6 | 180 | -177.3 | 0 | 0 | 0 | 0 | 109 | Y552 L553 W554 Y555 N580 E587 | Y552-V582 HydrophobicContact CD1-CG2 3.7Å; L553-V582 PolarHBondContact O-N 3.3Å; W554-V582 CarbonylContact C-O 3.58Å; W554-V582 VanDerWaalsContact CA-O 3.26Å; W554-V582 WeakPolarHBondContact CA-O 3.41Å; Y555-V582 PolarHBondContact N-O 2.76Å; N580-V582 PolarHBondContact O-N 3.45Å; V582-E587 HydrophobicContact CG1-CB 4.17Å; V582-E587 HydrophobicContact CG1-CG 3.81Å |
| 583 | A | 95.6 | Very high | 88.5 | Confident | 51 Ų | 51 | 60.9 Ų | 60.9 | 42% | 0.421 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 144.3 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | G585 Q586 | A583-G585 PolarHBondContact O-N 2.91Å; A583-Q586 WeakPolarHBondContact O-CB 3.26Å; A583-Q586 PolarHBondContact O-N 2.89Å |
| 584 | E | 95.9 | Very high | 88.8 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 7% | 0.065 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.6 | 126.1 | 173.3 | 175.6 | -170.1 | 147.7 | 0 | 0 | 111.5 | S539 W554 Y555 K557 E587 Y601 Q608 | S539-E584 VanDerWaalsContact CB-OE2 3.26Å; S539-E584 WeakPolarHBondContact CB-OE2 3.3Å; S539-E584 PolarHBondContact OG-OE1 3.35Å; S539-E584 PolarHBondContact OG-OE2 3.38Å; W554-E584 HydrophobicContact CH2-CB 4.24Å; W554-E584 HydrophobicContact CH2-CG 4.31Å; W554-E584 HydrophobicContact CZ2-CB 3.58Å; W554-E584 HydrophobicContact CZ2-CG 3.65Å; Y555-E584 WeakPolarHBondContact O-CB 3.43Å; Y555-E584 PolarHBondContact O-N 3.13Å; K557-E584 HydrophobicContact CD-CG 4.42Å; K557-E584 WeakPolarHBondContact CD-OE1 3.37Å; K557-E584 WeakPolarHBondContact CE-OE1 3.37Å; K557-E584 HydrophobicContact CG-CB 4.11Å; K557-E584 HydrophobicContact CG-CG 4.3Å; K557-E584 PolarHBondContact N-OE2 3.23Å; K557-E584 IonicContact NZ-OE1 3.72Å; K557-E584 PolarHBondContact NZ-OE1 3.46Å; E584-E587 WeakPolarHBondContact CA-OE1 3.39Å; E584-Y601 WeakPolarHBondContact CG-OH 3.34Å; E584-Q608 PolarHBondContact OE1-NE2 3.29Å |
| 585 | G | 93.4 | Very high | 89.1 | Confident | 48 Ų | 48 | 59.7 Ų | 59.7 | 50% | 0.495 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -3.7 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115 | A583 E587 | A583-G585 PolarHBondContact O-N 2.91Å; G585-E587 VanDerWaalsContact C-OE2 3.26Å; G585-E587 WeakPolarHBondContact CA-OE2 3.25Å; G585-E587 PolarHBondContact N-OE1 3.16Å; G585-E587 PolarHBondContact N-OE2 3.32Å |
| 586 | Q | 95.3 | Very high | 89.3 | Confident | 157 Ų | 157 | 62.6 Ų | 62.6 | 73% | 0.734 | 39% | 0.392 | S | S | * | . | trans | -113.9 | 21.3 | 175.7 | -60.2 | -64.1 | -21.7 | 0 | 0 | 112.3 | A583 | A583-Q586 WeakPolarHBondContact O-CB 3.26Å; A583-Q586 PolarHBondContact O-N 2.89Å | ||
| 587 | E | 95.6 | Very high | 90.1 | Very high | 24 Ų | 24 | 55 Ų | 55 | 11% | 0.112 | 36% | 0.356 | C | S | . | . | trans | -73.2 | 138 | -178 | -49.9 | 86.7 | 169.7 | 0 | 0 | 111.7 | W554 V582 E584 G585 F591 W592 | W554-E587 PolarHBondContact NE1-OE1 3.12Å; V582-E587 HydrophobicContact CG1-CB 4.17Å; V582-E587 HydrophobicContact CG1-CG 3.81Å; E584-E587 WeakPolarHBondContact CA-OE1 3.39Å; G585-E587 VanDerWaalsContact C-OE2 3.26Å; G585-E587 WeakPolarHBondContact CA-OE2 3.25Å; G585-E587 PolarHBondContact N-OE1 3.16Å; G585-E587 PolarHBondContact N-OE2 3.32Å; E587-F591 HydrophobicContact CB-CB 4.38Å; E587-F591 HydrophobicContact CB-CD1 3.65Å; E587-F591 HydrophobicContact CB-CE1 4.21Å; E587-F591 HydrophobicContact CB-CG 4.16Å; E587-F591 HydrophobicContact CG-CD1 3.81Å; E587-F591 HydrophobicContact CG-CE1 3.84Å; E587-W592 HydrophobicContact CB-CZ2 3.78Å; E587-W592 VanDerWaalsContact CD-CZ2 3.4Å; E587-W592 HydrophobicContact CG-CH2 4.26Å; E587-W592 HydrophobicContact CG-CZ2 3.58Å | ||
| 588 | S | 93.9 | Very high | 91.2 | Very high | 52 Ų | 52 | 59.6 Ų | 59.6 | 36% | 0.364 | 37% | 0.365 | S | S | . | . | trans | -73.1 | 164.4 | 175.1 | 67.4 | 0 | 0 | 0 | 0 | 111.8 | E590 F591 W592 | S588-E590 VanDerWaalsContact C-N 3.26Å; S588-E590 PolarHBondContact O-N 2.81Å; S588-F591 PolarHBondContact O-N 3.24Å; S588-F591 PolarHBondContact OG-N 2.9Å; S588-F591 VanDerWaalsContact OG-N 3.09Å; S588-W592 PolarHBondContact O-N 3.34Å | ||
| 589 | A | 93.1 | Very high | 92 | Very high | 74 Ų | 74 | 57.8 Ų | 57.8 | 61% | 0.612 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -60.2 | -39.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F591 W592 D593 | A589-F591 PolarHBondContact O-N 3.29Å; A589-W592 PolarHBondContact O-N 3.06Å; A589-W592 VanDerWaalsContact O-N 3.14Å; A589-D593 VanDerWaalsContact O-CG 3.3Å; A589-D593 PolarHBondContact O-N 3.24Å |
| 590 | E | 92.3 | Very high | 92.2 | Very high | 115 Ų | 115 | 61 Ų | 61 | 54% | 0.537 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.7 | -176.5 | 167.9 | -162.7 | 0 | 0 | 112.8 | S588 W592 D593 L594 | S588-E590 VanDerWaalsContact C-N 3.26Å; S588-E590 PolarHBondContact O-N 2.81Å; E590-W592 VanDerWaalsContact C-N 3.3Å; E590-W592 PolarHBondContact O-N 3.4Å; E590-D593 PolarHBondContact O-N 3.44Å; E590-L594 VanDerWaalsContact O-CG 3.31Å; E590-L594 WeakPolarHBondContact O-CG 3.45Å; E590-L594 PolarHBondContact O-N 3.01Å |
| 591 | F | 93.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -56.8 | -44.7 | 173.4 | 174.8 | -88.9 | 0 | 0 | 0 | 111.6 | L537 L545 Y552 W554 E587 S588 A589 L595 | L537-F591 HydrophobicContact CD1-CE1 4.11Å; L537-F591 HydrophobicContact CD1-CZ 4.22Å; L545-F591 HydrophobicContact CB-CE2 4.37Å; L545-F591 HydrophobicContact CD2-CD2 3.8Å; L545-F591 HydrophobicContact CD2-CE2 3.74Å; L545-F591 HydrophobicContact CD2-CZ 4.48Å; Y552-F591 HydrophobicContact CD1-CD2 4.12Å; Y552-F591 HydrophobicContact CD2-CD2 4.23Å; Y552-F591 AromaticContact CG-CD2 3.82Å; Y552-F591 HydrophobicContact CG-CD2 3.82Å; Y552-F591 HydrophobicContact CG-CE2 4.38Å; W554-F591 HydrophobicContact CB-CE2 4.23Å; W554-F591 HydrophobicContact CB-CZ 4.13Å; W554-F591 AromaticContact CD1-CZ 3.67Å; W554-F591 HydrophobicContact CG-CZ 4.01Å; E587-F591 HydrophobicContact CB-CB 4.38Å; E587-F591 HydrophobicContact CB-CD1 3.65Å; E587-F591 HydrophobicContact CB-CE1 4.21Å; E587-F591 HydrophobicContact CB-CG 4.16Å; E587-F591 HydrophobicContact CG-CD1 3.81Å; E587-F591 HydrophobicContact CG-CE1 3.84Å; S588-F591 PolarHBondContact O-N 3.24Å; S588-F591 PolarHBondContact OG-N 2.9Å; S588-F591 VanDerWaalsContact OG-N 3.09Å; A589-F591 PolarHBondContact O-N 3.29Å; F591-L595 HydrophobicContact CD1-CD1 4.26Å; F591-L595 HydrophobicContact CE1-CD1 3.58Å; F591-L595 HydrophobicContact CE2-CD1 4.5Å; F591-L595 HydrophobicContact CZ-CD1 3.72Å; F591-L595 PolarHBondContact O-N 3.11Å |
| 592 | W | 94.4 | Very high | 92 | Very high | 18 Ų | 18 | 55.6 Ų | 55.6 | 7% | 0.068 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 178.4 | -67.4 | 117.3 | 0 | 0 | 0 | 112.4 | A534 L537 E587 S588 A589 E590 L594 L595 G596 G597 K598 Y601 | A534-W592 HydrophobicContact CB-CE3 3.87Å; A534-W592 HydrophobicContact CB-CZ3 3.7Å; L537-W592 HydrophobicContact CD1-CH2 3.94Å; L537-W592 HydrophobicContact CD1-CZ3 3.8Å; E587-W592 HydrophobicContact CB-CZ2 3.78Å; E587-W592 VanDerWaalsContact CD-CZ2 3.4Å; E587-W592 HydrophobicContact CG-CH2 4.26Å; E587-W592 HydrophobicContact CG-CZ2 3.58Å; S588-W592 PolarHBondContact O-N 3.34Å; A589-W592 PolarHBondContact O-N 3.06Å; A589-W592 VanDerWaalsContact O-N 3.14Å; E590-W592 VanDerWaalsContact C-N 3.3Å; E590-W592 PolarHBondContact O-N 3.4Å; W592-L594 VanDerWaalsContact C-N 3.28Å; W592-L594 PolarHBondContact O-N 2.78Å; W592-L595 HydrophobicContact CE3-CD1 4.48Å; W592-L595 HydrophobicContact CZ3-CD1 4.45Å; W592-L595 CarbonylContact O-C 3.58Å; W592-L595 PolarHBondContact O-N 3.37Å; W592-G596 PolarHBondContact O-N 3.36Å; W592-G597 CarbonylContact O-C 3.43Å; W592-G597 VanDerWaalsContact O-CA 3.24Å; W592-G597 WeakPolarHBondContact O-CA 3.41Å; W592-G597 PolarHBondContact O-N 2.79Å; W592-K598 HydrophobicContact CB-CB 4.22Å; W592-K598 HydrophobicContact CD2-CB 3.76Å; W592-K598 HydrophobicContact CD2-CD 4.09Å; W592-K598 HydrophobicContact CD2-CG 3.81Å; W592-K598 HydrophobicContact CE3-CB 4.01Å; W592-K598 HydrophobicContact CE3-CG 3.99Å; W592-K598 HydrophobicContact CG-CB 3.85Å; W592-K598 HydrophobicContact CG-CD 4.43Å; W592-K598 HydrophobicContact CG-CG 4.33Å; W592-K598 HydrophobicContact CH2-CG 4.38Å; W592-K598 HydrophobicContact CZ2-CD 4.04Å; W592-K598 HydrophobicContact CZ2-CG 4.17Å; W592-K598 HydrophobicContact CZ3-CG 4.28Å; W592-Y601 HydrophobicContact CH2-CD1 4.36Å; W592-Y601 AromaticContact CH2-CE1 3.76Å; W592-Y601 HydrophobicContact CH2-CE1 3.76Å; W592-Y601 HydrophobicContact CZ3-CE1 4.47Å |
| 593 | D | 92 | Very high | 91.6 | Very high | 119 Ų | 119 | 56.9 Ų | 56.9 | 64% | 0.636 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -61.1 | -38.7 | 178.2 | -70.5 | -21.1 | 0 | 0 | 0 | 111.4 | A589 E590 L595 G596 | A589-D593 VanDerWaalsContact O-CG 3.3Å; A589-D593 PolarHBondContact O-N 3.24Å; E590-D593 PolarHBondContact O-N 3.44Å; D593-L595 PolarHBondContact O-N 2.97Å; D593-G596 PolarHBondContact O-N 2.59Å; D593-G596 VanDerWaalsContact O-N 3.11Å |
| 594 | L | 91.9 | Very high | 91 | Very high | 53 Ų | 53 | 57.1 Ų | 57.1 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.3 | -27.1 | 174.3 | -71.8 | 168.4 | 0 | 0 | 0 | 113.6 | V512 L545 T547 Y552 E590 W592 | V512-L594 HydrophobicContact CG2-CD2 4.32Å; L545-L594 HydrophobicContact CD2-CB 4.09Å; L545-L594 HydrophobicContact CD2-CD1 4.31Å; T547-L594 HydrophobicContact CG2-CD1 3.81Å; T547-L594 HydrophobicContact CG2-CD2 3.87Å; T547-L594 HydrophobicContact CG2-CG 4.37Å; Y552-L594 HydrophobicContact CD2-CD1 4.26Å; Y552-L594 HydrophobicContact CE2-CD1 3.6Å; E590-L594 VanDerWaalsContact O-CG 3.31Å; E590-L594 WeakPolarHBondContact O-CG 3.45Å; E590-L594 PolarHBondContact O-N 3.01Å; W592-L594 VanDerWaalsContact C-N 3.28Å; W592-L594 PolarHBondContact O-N 2.78Å |
| 595 | L | 90.9 | Very high | 90.3 | Very high | 3 Ų | 3 | 64.7 Ų | 64.7 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | 13.9 | 177.4 | -68.8 | 178.4 | 0 | 0 | 0 | 113.3 | L514 A532 F533 A534 L537 L545 F591 W592 D593 | L514-L595 HydrophobicContact CD2-CD2 4.08Å; A532-L595 HydrophobicContact CB-CD2 4.44Å; F533-L595 WeakPolarHBondContact CA-O 3.25Å; A534-L595 HydrophobicContact CB-CB 4.26Å; A534-L595 PolarHBondContact N-O 3.15Å; L537-L595 HydrophobicContact CD1-CD1 4.04Å; L537-L595 HydrophobicContact CG-CD1 4.47Å; L545-L595 HydrophobicContact CD1-CD2 3.7Å; L545-L595 HydrophobicContact CD1-CG 4.45Å; L545-L595 HydrophobicContact CD2-CD1 4.46Å; L545-L595 HydrophobicContact CD2-CD2 4.17Å; L545-L595 HydrophobicContact CD2-CG 4.03Å; F591-L595 HydrophobicContact CD1-CD1 4.26Å; F591-L595 HydrophobicContact CE1-CD1 3.58Å; F591-L595 HydrophobicContact CE2-CD1 4.5Å; F591-L595 HydrophobicContact CZ-CD1 3.72Å; F591-L595 PolarHBondContact O-N 3.11Å; W592-L595 HydrophobicContact CE3-CD1 4.48Å; W592-L595 HydrophobicContact CZ3-CD1 4.45Å; W592-L595 CarbonylContact O-C 3.58Å; W592-L595 PolarHBondContact O-N 3.37Å; D593-L595 PolarHBondContact O-N 2.97Å |
| 596 | G | 89.5 | Confident | 89.5 | Confident | 70 Ų | 70 | 63.1 Ų | 63.1 | 72% | 0.722 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.4 | 20.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | W592 D593 | W592-G596 PolarHBondContact O-N 3.36Å; D593-G596 PolarHBondContact O-N 2.59Å; D593-G596 VanDerWaalsContact O-N 3.11Å |
| 597 | G | 89.3 | Confident | 88.7 | Confident | 21 Ų | 21 | 55.7 Ų | 55.7 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | S | Bend | trans | 98.7 | 165.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A534 W592 T599 | A534-G597 VanDerWaalsContact CB-O 3.24Å; A534-G597 WeakPolarHBondContact CB-O 3.35Å; W592-G597 CarbonylContact O-C 3.43Å; W592-G597 VanDerWaalsContact O-CA 3.24Å; W592-G597 WeakPolarHBondContact O-CA 3.41Å; W592-G597 PolarHBondContact O-N 2.79Å; G597-T599 PolarHBondContact O-N 3.22Å |
| 598 | K | 89.9 | Confident | 88.1 | Confident | 138 Ų | 138 | 57.3 Ų | 57.3 | 60% | 0.6 | 33% | 0.329 | S | S | * | . | trans | -79.6 | 114.1 | 179.9 | -171.2 | 172.7 | -173.3 | 164.9 | 0 | 111.1 | W592 | W592-K598 HydrophobicContact CB-CB 4.22Å; W592-K598 HydrophobicContact CD2-CB 3.76Å; W592-K598 HydrophobicContact CD2-CD 4.09Å; W592-K598 HydrophobicContact CD2-CG 3.81Å; W592-K598 HydrophobicContact CE3-CB 4.01Å; W592-K598 HydrophobicContact CE3-CG 3.99Å; W592-K598 HydrophobicContact CG-CB 3.85Å; W592-K598 HydrophobicContact CG-CD 4.43Å; W592-K598 HydrophobicContact CG-CG 4.33Å; W592-K598 HydrophobicContact CH2-CG 4.38Å; W592-K598 HydrophobicContact CZ2-CD 4.04Å; W592-K598 HydrophobicContact CZ2-CG 4.17Å; W592-K598 HydrophobicContact CZ3-CG 4.28Å | ||
| 599 | T | 88 | Confident | 87.2 | Confident | 61 Ų | 61 | 58.5 Ų | 58.5 | 37% | 0.374 | 33% | 0.329 | S | S | . | . | trans | -120.4 | 163.8 | 173 | 60.9 | 0 | 0 | 0 | 0 | 111 | A534 S535 G597 | A534-T599 WeakPolarHBondContact CB-OG1 3.24Å; S535-T599 PolarHBondContact N-OG1 2.86Å; G597-T599 PolarHBondContact O-N 3.22Å | ||
| 600 | P | 85.3 | Confident | 85.8 | Confident | 107 Ų | 107 | 60.3 Ų | 60.3 | 70% | 0.695 | 33% | 0.325 | S | S | * | . | trans | -60.3 | 138.2 | 173.2 | -23 | 34.6 | 0 | 0 | 0 | 111.8 | ||||
| 601 | Y | 88.9 | Confident | 84.2 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | trans | -138.7 | 172.6 | 178.7 | 66.2 | -95.2 | 0 | 0 | 0 | 110.3 | A534 L537 W554 E584 W592 S603 | A534-Y601 WeakPolarHBondContact O-CB 3.37Å; L537-Y601 HydrophobicContact CB-CD2 3.8Å; L537-Y601 HydrophobicContact CB-CE2 4.35Å; L537-Y601 HydrophobicContact CB-CG 3.93Å; L537-Y601 WeakPolarHBondContact O-CB 3.47Å; W554-Y601 HydrophobicContact CH2-CE2 4.05Å; W554-Y601 HydrophobicContact CZ2-CE2 4.04Å; E584-Y601 WeakPolarHBondContact CG-OH 3.34Å; W592-Y601 HydrophobicContact CH2-CD1 4.36Å; W592-Y601 AromaticContact CH2-CE1 3.76Å; W592-Y601 HydrophobicContact CH2-CE1 3.76Å; W592-Y601 HydrophobicContact CZ3-CE1 4.47Å; Y601-S603 PolarHBondContact O-N 3.11Å; Y601-S603 PolarHBondContact O-OG 2.83Å | ||
| 602 | A | 87.9 | Confident | 82.3 | Confident | 2 Ų | 2 | 63.7 Ų | 63.7 | 2% | 0.017 | 35% | 0.345 | C | S | . | . | B | Isolated β-bridge | trans | -69 | 95.6 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L537 N538 S539 L607 P702 | L537-A602 PolarHBondContact O-N 2.99Å; N538-A602 WeakPolarHBondContact CA-O 3.47Å; N538-A602 HydrophobicContact CB-CB 4.42Å; S539-A602 PolarHBondContact N-O 2.89Å; A602-L607 HydrophobicContact CB-CD1 3.85Å; A602-P702 VanDerWaalsContact CB-O 3.25Å; A602-P702 WeakPolarHBondContact CB-O 3.15Å |
| 603 | S | 86.5 | Confident | 80.4 | Confident | 43 Ų | 43 | 69.9 Ų | 69.9 | 30% | 0.301 | 38% | 0.379 | S | S | . | . | trans | -140.6 | 24.6 | -169.7 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | S539 Y601 Q608 | S539-S603 VanDerWaalsContact OG-CA 3.32Å; S539-S603 WeakPolarHBondContact OG-CA 3.4Å; S539-S603 WeakPolarHBondContact OG-CB 3.42Å; Y601-S603 PolarHBondContact O-N 3.11Å; Y601-S603 PolarHBondContact O-OG 2.83Å; S603-Q608 PolarHBondContact O-NE2 2.99Å | ||
| 604 | D | 82.8 | Confident | 78.9 | Confident | 56 Ų | 56 | 66.3 Ų | 66.3 | 30% | 0.299 | 36% | 0.362 | S | S | . | . | trans | -60.8 | 151.5 | 176.4 | -76.1 | -43.8 | 0 | 0 | 0 | 111.8 | R606 L607 Q608 I703 | D604-R606 PolarHBondContact O-N 3.13Å; D604-L607 WeakPolarHBondContact O-CB 3.33Å; D604-L607 PolarHBondContact O-N 2.83Å; D604-Q608 PolarHBondContact O-N 2.98Å; D604-I703 WeakPolarHBondContact OD2-CB 3.4Å; D604-I703 WeakPolarHBondContact OD2-CG2 3.35Å | ||
| 605 | K | 82 | Confident | 77.6 | Confident | 174 Ų | 174 | 71.6 Ų | 71.6 | 76% | 0.757 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.2 | -32.4 | -176.2 | -69.4 | -176.3 | -179.7 | 177.6 | 0 | 113.7 | Q608 | K605-Q608 PolarHBondContact O-N 3.36Š|
| 606 | R | 76.4 | Confident | 76.9 | Confident | 15 Ų | 15 | 72.8 Ų | 72.8 | 6% | 0.057 | 39% | 0.394 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -44.1 | 178.4 | -166.6 | 179.4 | -172.7 | 79.8 | 6.3 | 112.5 | D604 Q608 Q609 L612 V614 T651 D653 W707 | D604-R606 PolarHBondContact O-N 3.13Å; R606-Q608 PolarHBondContact O-N 2.78Å; R606-Q609 WeakPolarHBondContact O-CB 3.4Å; R606-Q609 PolarHBondContact O-N 3.44Å; R606-L612 HydrophobicContact CG-CD2 3.6Å; R606-L612 WeakPolarHBondContact O-CD2 3.5Å; R606-V614 PolarHBondContact NH2-O 2.73Å; R606-T651 WeakPolarHBondContact CD-O 3.43Å; R606-T651 PolarHBondContact NE-O 3.17Å; R606-D653 WeakPolarHBondContact CD-OD2 3.39Å; R606-D653 IonicContact NH1-OD1 2.94Å; R606-D653 IonicContact NH1-OD2 3.52Å; R606-D653 PolarHBondContact NH1-OD2 3.18Å; R606-W707 HydrophobicContact CB-CH2 4.39Å; R606-W707 HydrophobicContact CB-CZ2 4.44Å; R606-W707 HydrophobicContact CG-CH2 3.9Å; R606-W707 HydrophobicContact CG-CZ2 4.35Å |
| 607 | L | 78.4 | Confident | 76.4 | Confident | 1 Ų | 1 | 73.1 Ų | 73.1 | 1% | 0.005 | 37% | 0.373 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.3 | 175 | -64.4 | 171.8 | 0 | 0 | 0 | 112.2 | S539 N540 G558 A602 D604 Q609 W707 | S539-L607 CarbonylContact C-O 3.59Å; S539-L607 VanDerWaalsContact C-O 3.27Å; N540-L607 VanDerWaalsContact CA-O 3.25Å; N540-L607 WeakPolarHBondContact CA-O 3.41Å; N540-L607 HydrophobicContact CB-CB 4.41Å; N540-L607 HydrophobicContact CB-CD2 4.15Å; N540-L607 PolarHBondContact N-O 3.02Å; G558-L607 WeakPolarHBondContact CA-O 3.44Å; A602-L607 HydrophobicContact CB-CD1 3.85Å; D604-L607 WeakPolarHBondContact O-CB 3.33Å; D604-L607 PolarHBondContact O-N 2.83Å; L607-Q609 VanDerWaalsContact C-N 3.32Å; L607-W707 HydrophobicContact CD2-CD2 4.09Å; L607-W707 HydrophobicContact CD2-CE3 4.07Å; L607-W707 HydrophobicContact CD2-CH2 3.68Å; L607-W707 HydrophobicContact CD2-CZ2 3.71Å; L607-W707 HydrophobicContact CD2-CZ3 3.87Å; L607-W707 HydrophobicContact CG-CH2 4.31Å; L607-W707 HydrophobicContact CG-CZ2 4.03Å |
| 608 | Q | 83.1 | Confident | 75.9 | Confident | 58 Ų | 58 | 72.1 Ų | 72.1 | 27% | 0.271 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.8 | -1 | 174.3 | -63.5 | 176 | -7.8 | 0 | 0 | 113.2 | K557 E584 S603 D604 K605 R606 | K557-Q608 CarbonylContact C-O 3.51Å; K557-Q608 HydrophobicContact CB-CB 3.84Å; K557-Q608 HydrophobicContact CB-CG 3.99Å; K557-Q608 HydrophobicContact CD-CB 4.34Å; K557-Q608 HydrophobicContact CD-CG 4.05Å; E584-Q608 PolarHBondContact OE1-NE2 3.29Å; S603-Q608 PolarHBondContact O-NE2 2.99Å; D604-Q608 PolarHBondContact O-N 2.98Å; K605-Q608 PolarHBondContact O-N 3.36Å; R606-Q608 PolarHBondContact O-N 2.78Å |
| 609 | Q | 74.3 | Confident | 75.4 | Confident | 76 Ų | 76 | 66.2 Ų | 66.2 | 36% | 0.355 | 34% | 0.337 | S | S | . | . | trans | -89.5 | 121.8 | 179 | -66 | 174.7 | -6.3 | 0 | 0 | 110.7 | R606 L607 I611 L612 | R606-Q609 WeakPolarHBondContact O-CB 3.4Å; R606-Q609 PolarHBondContact O-N 3.44Å; L607-Q609 VanDerWaalsContact C-N 3.32Å; Q609-I611 PolarHBondContact O-N 3.29Å; Q609-L612 HydrophobicContact CB-CD2 4.26Å | ||
| 610 | E | 64.7 | Low | 74.8 | Confident | 112 Ų | 112 | 65.7 Ų | 65.7 | 52% | 0.523 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -64.8 | -28.9 | 176.4 | -175.5 | 172.3 | -169.2 | 0 | 0 | 113.1 | G558 S560 G561 | G558-E610 WeakPolarHBondContact O-CA 3.43Å; S560-E610 WeakPolarHBondContact CA-OE1 3.37Å; G561-E610 PolarHBondContact N-OE1 3.2Å; G561-E610 VanDerWaalsContact N-OE1 3.16Å |
| 611 | I | 58.1 | Low | 74.3 | Confident | 134 Ų | 134 | 60.6 Ų | 60.6 | 69% | 0.687 | 30% | 0.297 | S | S | * | . | S | Bend | trans | -125.8 | 114.2 | 176.9 | -56.5 | 176 | 0 | 0 | 0 | 108 | Q609 | Q609-I611 PolarHBondContact O-N 3.29Š|
| 612 | L | 55 | Low | 72.8 | Confident | 53 Ų | 53 | 59.6 Ų | 59.6 | 28% | 0.277 | 29% | 0.294 | S | S | . | . | trans | -86.1 | 116.6 | 175 | -68.8 | 171.1 | 0 | 0 | 0 | 110.1 | R606 Q609 V614 W707 | R606-L612 HydrophobicContact CG-CD2 3.6Å; R606-L612 WeakPolarHBondContact O-CD2 3.5Å; Q609-L612 HydrophobicContact CB-CD2 4.26Å; L612-V614 PolarHBondContact O-N 3.17Å; L612-W707 HydrophobicContact CD1-CZ3 4.42Å | ||
| 613 | D | 54.2 | Low | 71.2 | Confident | 147 Ų | 147 | 60 Ų | 60 | 79% | 0.786 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -65 | -20.5 | 175.6 | -68.8 | -34.7 | 0 | 0 | 0 | 112.9 | ||
| 614 | V | 60.8 | Low | 69.1 | Low | 45 Ų | 45 | 60.7 Ų | 60.7 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -143.7 | 128.4 | 178.8 | -174.1 | 0 | 0 | 0 | 0 | 109.9 | R606 L612 W652 | R606-V614 PolarHBondContact NH2-O 2.73Å; L612-V614 PolarHBondContact O-N 3.17Å; V614-W652 HydrophobicContact CB-CB 4.5Å; V614-W652 HydrophobicContact CB-CD2 4.3Å; V614-W652 HydrophobicContact CB-CE3 4.15Å; V614-W652 HydrophobicContact CB-CG 4.47Å; V614-W652 HydrophobicContact CG1-CD2 4.34Å; V614-W652 HydrophobicContact CG1-CE3 3.73Å; V614-W652 HydrophobicContact CG1-CZ3 4.25Å; V614-W652 HydrophobicContact CG2-CD2 3.97Å; V614-W652 HydrophobicContact CG2-CE3 3.89Å; V614-W652 HydrophobicContact CG2-CG 4.47Å; V614-W652 HydrophobicContact CG2-CH2 4.45Å; V614-W652 HydrophobicContact CG2-CZ3 4.12Å |
| 615 | Q | 63.8 | Low | 66.9 | Low | 163 Ų | 163 | 61.4 Ų | 61.4 | 76% | 0.762 | 30% | 0.3 | S | S | * | . | trans | -75.4 | 148 | 175.2 | -73 | -176.6 | -20.3 | 0 | 0 | 111.9 | ||||
| 616 | S | 76.9 | Confident | 64.9 | Low | 28 Ų | 28 | 55 Ų | 55 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | trans | -67.3 | 146.1 | 171.3 | 51.4 | 0 | 0 | 0 | 0 | 111.3 | D650 | S616-D650 CarbonylContact C-O 3.58Å; S616-D650 VanDerWaalsContact CA-O 3.25Å; S616-D650 WeakPolarHBondContact CA-O 3.13Å | ||
| 617 | R | 78 | Confident | 63.5 | Low | 77 Ų | 77 | 59.1 Ų | 59.1 | 29% | 0.291 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 127.6 | -176 | -60.3 | 173.6 | 71.5 | -160.8 | 1.7 | 110.3 | F619 E632 L649 D650 | R617-F619 HydrophobicContact CB-CE2 3.63Å; R617-F619 HydrophobicContact CB-CZ 3.99Å; R617-E632 IonicContact CZ-OE1 3.72Å; R617-E632 VanDerWaalsContact CZ-OE1 3.25Å; R617-E632 IonicContact CZ-OE2 3.78Å; R617-E632 IonicContact NE-OE1 2.81Å; R617-E632 PolarHBondContact NE-OE1 3Å; R617-E632 IonicContact NE-OE2 2.78Å; R617-E632 IonicContact NH2-OE1 2.88Å; R617-E632 PolarHBondContact NH2-OE1 2.81Å; R617-E632 IonicContact NH2-OE2 2.76Å; R617-E632 PolarHBondContact NH2-OE2 3.08Å; R617-L649 WeakPolarHBondContact O-CA 3.47Å; R617-D650 PolarHBondContact N-O 3.2Å; R617-D650 PolarHBondContact O-N 2.81Å |
| 618 | L | 79.1 | Confident | 62.1 | Low | 0 Ų | 0 | 61.3 Ų | 61.3 | 0% | 0 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 139 | 176.5 | -173.6 | 67.5 | 0 | 0 | 0 | 110 | E632 I633 F636 D640 L641 M647 L648 L649 | L618-E632 WeakPolarHBondContact O-CA 3.36Å; L618-I633 HydrophobicContact CB-CB 4.39Å; L618-I633 HydrophobicContact CD2-CB 4.33Å; L618-I633 HydrophobicContact CD2-CD1 4.26Å; L618-I633 HydrophobicContact CG-CB 4.47Å; L618-I633 PolarHBondContact O-N 2.87Å; L618-F636 HydrophobicContact CB-CB 4.08Å; L618-F636 HydrophobicContact CB-CD1 3.53Å; L618-F636 HydrophobicContact CB-CD2 4.37Å; L618-F636 HydrophobicContact CB-CE1 4.04Å; L618-F636 HydrophobicContact CB-CG 3.73Å; L618-F636 HydrophobicContact CD2-CB 3.53Å; L618-F636 HydrophobicContact CD2-CD1 4.48Å; L618-F636 HydrophobicContact CD2-CD2 4.13Å; L618-F636 HydrophobicContact CD2-CG 3.81Å; L618-F636 HydrophobicContact CG-CB 4.45Å; L618-F636 HydrophobicContact CG-CG 4.4Å; L618-D640 HydrophobicContact CD2-CB 4.35Å; L618-L641 HydrophobicContact CD1-CD2 4.47Å; L618-L641 HydrophobicContact CD2-CD2 4.48Å; L618-M647 HydrophobicContact CD1-CB 4.05Å; L618-M647 HydrophobicContact CD1-CE 4.49Å; L618-M647 HydrophobicContact CD2-CE 4.12Å; L618-M647 HydrophobicContact CG-CE 4.21Å; L618-L648 CarbonylContact C-O 3.48Å; L618-L648 WeakPolarHBondContact CA-O 3.41Å; L618-L649 HydrophobicContact CB-CD1 4.38Å; L618-L649 HydrophobicContact CD1-CB 3.91Å; L618-L649 HydrophobicContact CD1-CD1 4.32Å |
| 619 | F | 78.7 | Confident | 60.4 | Low | 15 Ų | 15 | 60.4 Ų | 60.4 | 7% | 0.066 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 138.7 | 175 | -53.6 | -100 | 0 | 0 | 0 | 110.6 | R617 V630 T631 E632 M647 L648 Y678 | R617-F619 HydrophobicContact CB-CE2 3.63Å; R617-F619 HydrophobicContact CB-CZ 3.99Å; F619-V630 HydrophobicContact CB-CG1 3.62Å; F619-V630 HydrophobicContact CD1-CG1 4.02Å; F619-V630 HydrophobicContact CG-CG1 4.08Å; F619-T631 CarbonylContact C-O 3.5Å; F619-T631 WeakPolarHBondContact CA-O 3.22Å; F619-E632 HydrophobicContact CD1-CB 3.71Å; F619-E632 HydrophobicContact CD1-CG 4.17Å; F619-E632 HydrophobicContact CE1-CB 3.7Å; F619-E632 HydrophobicContact CE1-CG 3.89Å; F619-E632 HydrophobicContact CZ-CG 4.39Å; F619-M647 CarbonylContact O-C 3.6Å; F619-M647 VanDerWaalsContact O-CA 3.31Å; F619-M647 WeakPolarHBondContact O-CA 3.41Å; F619-L648 HydrophobicContact CB-CB 4.28Å; F619-L648 HydrophobicContact CD2-CD2 3.76Å; F619-L648 WeakPolarHBondContact CD2-O 3.27Å; F619-L648 HydrophobicContact CE2-CD2 4.28Å; F619-L648 PolarHBondContact N-O 2.97Å; F619-L648 PolarHBondContact O-N 3.36Å; F619-Y678 HydrophobicContact CE2-CE2 4.25Å; F619-Y678 HydrophobicContact CZ-CE2 4.1Å |
| 620 | E | 75.7 | Confident | 59.8 | Low | 49 Ų | 49 | 59.7 Ų | 59.7 | 23% | 0.229 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 118.8 | 168 | -173.5 | -178.5 | -124.3 | 0 | 0 | 109 | V630 T631 I633 N642 D645 M647 | E620-V630 CarbonylContact O-C 3.6Å; E620-V630 VanDerWaalsContact O-CA 3.28Å; E620-V630 WeakPolarHBondContact O-CA 3.42Å; E620-T631 PolarHBondContact N-O 3.22Å; E620-T631 PolarHBondContact O-N 2.94Å; E620-I633 HydrophobicContact CB-CD1 4.24Å; E620-N642 PolarHBondContact OE1-ND2 3.26Å; E620-N642 VanDerWaalsContact OE1-ND2 3.09Å; E620-D645 HydrophobicContact CG-CB 4.12Å; E620-D645 VanDerWaalsContact OE1-OD2 3.09Å; E620-M647 HydrophobicContact CB-CE 3.87Å; E620-M647 HydrophobicContact CB-SD 4.05Å; E620-M647 HydrophobicContact CG-CE 4.29Å; E620-M647 HydrophobicContact CG-SD 3.92Å |
| 621 | C | 74.7 | Confident | 59.4 | Low | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 98 | 173.2 | -64.8 | 0 | 0 | 0 | 0 | 108.9 | F628 V630 V646 A671 | C621-F628 HydrophobicContact CB-CE2 3.96Å; C621-F628 HydrophobicContact CB-CZ 3.68Å; C621-V630 HydrophobicContact CB-CG2 4.41Å; C621-V646 CarbonylContact C-O 3.46Å; C621-V646 VanDerWaalsContact CA-O 3.32Å; C621-V646 WeakPolarHBondContact CA-O 3.28Å; C621-V646 HydrophobicContact CB-CB 4.12Å; C621-V646 HydrophobicContact CB-CG1 4.36Å; C621-V646 WeakPolarHBondContact CB-O 3.33Å; C621-V646 PolarHBondContact N-O 3.41Å; C621-V646 PolarHBondContact O-N 2.95Å; C621-A671 HydrophobicContact CB-CB 4.08Å |
| 622 | S | 57.2 | Low | 60 | Low | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.028 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.4 | -172.3 | -172.2 | 0 | 0 | 0 | 0 | 111.7 | K624 F628 T629 D645 | S622-K624 WeakPolarHBondContact OG-CB 3.48Å; S622-K624 WeakPolarHBondContact OG-CD 3.35Å; S622-K624 WeakPolarHBondContact OG-CG 3.37Å; S622-K624 PolarHBondContact OG-N 3.16Å; S622-F628 CarbonylContact O-C 3.55Å; S622-F628 WeakPolarHBondContact O-CA 3.45Å; S622-T629 PolarHBondContact N-O 2.92Å; S622-T629 PolarHBondContact O-N 3.06Å; S622-T629 PolarHBondContact O-OG1 3.38Å; S622-D645 WeakPolarHBondContact CA-OD1 3.31Å; S622-D645 WeakPolarHBondContact CB-OD1 3.24Å; S622-D645 VanDerWaalsContact OG-CG 3.29Å; S622-D645 PolarHBondContact OG-OD1 2.91Å; S622-D645 PolarHBondContact OG-OD2 3.38Å |
| 623 | N | 53.8 | Low | 60.1 | Low | 10 Ų | 10 | 54 Ų | 54 | 5% | 0.053 | 29% | 0.287 | C | S | . | . | trans | -104.4 | 16.4 | 164.2 | 74 | 32.3 | 0 | 0 | 0 | 113 | R143 T625 G626 Q627 F628 N664 T666 E667 | R143-N623 WeakPolarHBondContact CD-O 3.21Å; N623-T625 PolarHBondContact O-N 3.49Å; N623-G626 PolarHBondContact O-N 3.24Å; N623-Q627 WeakPolarHBondContact CA-O 3.41Å; N623-F628 HydrophobicContact CB-CB 4.23Å; N623-F628 HydrophobicContact CB-CD2 4.45Å; N623-N664 PolarHBondContact ND2-ND2 2.91Å; N623-N664 PolarHBondContact ND2-OD1 2.95Å; N623-N664 PolarHBondContact OD1-ND2 3.05Å; N623-T666 WeakPolarHBondContact ND2-CB 3.48Å; N623-E667 HydrophobicContact CB-CG 4.19Å; N623-E667 VanDerWaalsContact CG-OE1 3.23Å; N623-E667 PolarHBondContact N-OE1 2.94Å; N623-E667 PolarHBondContact OD1-OE1 2.85Å | ||
| 624 | K | 43.2 | Very low | 60.4 | Low | 58 Ų | 58 | 51.7 Ų | 51.7 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -4.2 | 174.1 | -71.5 | 173.2 | -175.9 | 173.3 | 0 | 114.1 | R143 N144 S622 N642 D645 | R143-K624 CarbonylContact C-O 3.48Å; R143-K624 WeakPolarHBondContact CA-O 3.41Å; R143-K624 VanDerWaalsContact CB-C 3.48Å; R143-K624 WeakPolarHBondContact CB-O 3.05Å; R143-K624 WeakPolarHBondContact O-CB 3.46Å; N144-K624 PolarHBondContact N-O 2.8Å; N144-K624 PolarHBondContact OD1-O 3.19Å; N144-K624 VanDerWaalsContact OD1-O 3.08Å; S622-K624 WeakPolarHBondContact OG-CB 3.48Å; S622-K624 WeakPolarHBondContact OG-CD 3.35Å; S622-K624 WeakPolarHBondContact OG-CG 3.37Å; S622-K624 PolarHBondContact OG-N 3.16Å; K624-N642 PolarHBondContact NZ-ND2 3.37Å; K624-N642 PolarHBondContact NZ-OD1 2.65Å; K624-D645 WeakPolarHBondContact CD-OD1 3.34Å; K624-D645 WeakPolarHBondContact CD-OD2 3.35Å; K624-D645 WeakPolarHBondContact CE-OD1 3.35Å; K624-D645 WeakPolarHBondContact CE-OD2 3.2Å; K624-D645 IonicContact NZ-OD1 2.91Å; K624-D645 IonicContact NZ-OD2 3.99Å; K624-D645 PolarHBondContact NZ-OD2 2.72Å |
| 625 | T | 37.6 | Very low | 60.4 | Low | 70 Ų | 70 | 56.7 Ų | 56.7 | 43% | 0.429 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | -1.8 | 169.2 | 68.8 | 0 | 0 | 0 | 0 | 114.1 | N144 N623 Q627 | N144-T625 WeakPolarHBondContact ND2-CA 3.36Å; N144-T625 WeakPolarHBondContact ND2-CB 3.36Å; N144-T625 WeakPolarHBondContact ND2-CG2 3.32Å; N623-T625 PolarHBondContact O-N 3.49Å; T625-Q627 VanDerWaalsContact C-N 3.26Å; T625-Q627 PolarHBondContact OG1-O 2.94Å |
| 626 | G | 39.9 | Very low | 60.6 | Low | 41 Ų | 41 | 50.4 Ų | 50.4 | 42% | 0.423 | 27% | 0.274 | S | S | . | . | S | Bend | trans | 92.2 | -18.3 | -168 | 0 | 0 | 0 | 0 | 0 | 113.6 | R143 N623 | R143-G626 VanDerWaalsContact CD-CA 3.43Å; R143-G626 PolarHBondContact NH1-O 3Å; N623-G626 PolarHBondContact O-N 3.24Å |
| 627 | Q | 46.6 | Very low | 60.3 | Low | 101 Ų | 101 | 50.8 Ų | 50.8 | 47% | 0.472 | 28% | 0.275 | S | S | . | . | S | Bend | trans | -119.7 | 144.2 | 171.4 | -179.1 | 172.6 | 1.6 | 0 | 0 | 108.4 | N623 T625 T629 | N623-Q627 WeakPolarHBondContact CA-O 3.41Å; T625-Q627 VanDerWaalsContact C-N 3.26Å; T625-Q627 PolarHBondContact OG1-O 2.94Å; Q627-T629 PolarHBondContact O-N 2.65Å |
| 628 | F | 47.9 | Very low | 60.4 | Low | 46 Ų | 46 | 47.5 Ų | 47.5 | 20% | 0.202 | 26% | 0.263 | C | S | . | . | trans | -68.1 | 119.3 | 171.5 | -177.9 | -90.5 | 0 | 0 | 0 | 109.6 | C621 S622 N623 V630 E667 S670 A671 T674 | C621-F628 HydrophobicContact CB-CE2 3.96Å; C621-F628 HydrophobicContact CB-CZ 3.68Å; S622-F628 CarbonylContact O-C 3.55Å; S622-F628 WeakPolarHBondContact O-CA 3.45Å; N623-F628 HydrophobicContact CB-CB 4.23Å; N623-F628 HydrophobicContact CB-CD2 4.45Å; F628-V630 HydrophobicContact CE1-CG2 3.68Å; F628-V630 HydrophobicContact CZ-CG2 4.15Å; F628-E667 HydrophobicContact CD2-CG 4.42Å; F628-E667 HydrophobicContact CE2-CG 4.49Å; F628-S670 VanDerWaalsContact CD2-CB 3.4Å; F628-S670 VanDerWaalsContact CE2-CB 3.47Å; F628-A671 HydrophobicContact CE2-CB 4.38Å; F628-A671 HydrophobicContact CZ-CB 4.16Å; F628-T674 HydrophobicContact CE1-CG2 4.17Å; F628-T674 WeakPolarHBondContact CE1-OG1 3.15Å | ||
| 629 | T | 49 | Very low | 59.9 | Low | 39 Ų | 39 | 51.8 Ų | 51.8 | 24% | 0.239 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 149.4 | -178.2 | 49.4 | 0 | 0 | 0 | 0 | 110 | S622 Q627 | S622-T629 PolarHBondContact N-O 2.92Å; S622-T629 PolarHBondContact O-N 3.06Å; S622-T629 PolarHBondContact O-OG1 3.38Å; Q627-T629 PolarHBondContact O-N 2.65Å |
| 630 | V | 60.3 | Low | 59.5 | Low | 61 Ų | 61 | 54 Ų | 54 | 37% | 0.37 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 118.6 | 175.4 | -177.9 | 0 | 0 | 0 | 0 | 108.8 | F619 E620 C621 F628 T674 | F619-V630 HydrophobicContact CB-CG1 3.62Å; F619-V630 HydrophobicContact CD1-CG1 4.02Å; F619-V630 HydrophobicContact CG-CG1 4.08Å; E620-V630 CarbonylContact O-C 3.6Å; E620-V630 VanDerWaalsContact O-CA 3.28Å; E620-V630 WeakPolarHBondContact O-CA 3.42Å; C621-V630 HydrophobicContact CB-CG2 4.41Å; F628-V630 HydrophobicContact CE1-CG2 3.68Å; F628-V630 HydrophobicContact CZ-CG2 4.15Å; V630-T674 HydrophobicContact CG2-CG2 3.67Å |
| 631 | T | 56.5 | Low | 59.7 | Low | 71 Ų | 71 | 52 Ų | 52 | 44% | 0.436 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 128.8 | -173.5 | -52.8 | 0 | 0 | 0 | 0 | 110.1 | F619 E620 | F619-T631 CarbonylContact C-O 3.5Å; F619-T631 WeakPolarHBondContact CA-O 3.22Å; E620-T631 PolarHBondContact N-O 3.22Å; E620-T631 PolarHBondContact O-N 2.94Å |
| 632 | E | 70.4 | Confident | 59.7 | Low | 76 Ų | 76 | 54.4 Ų | 54.4 | 36% | 0.355 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 138 | 177.9 | -172.7 | 168.4 | -162.9 | 0 | 0 | 112.4 | R617 L618 F619 | R617-E632 IonicContact CZ-OE1 3.72Å; R617-E632 VanDerWaalsContact CZ-OE1 3.25Å; R617-E632 IonicContact CZ-OE2 3.78Å; R617-E632 IonicContact NE-OE1 2.81Å; R617-E632 PolarHBondContact NE-OE1 3Å; R617-E632 IonicContact NE-OE2 2.78Å; R617-E632 IonicContact NH2-OE1 2.88Å; R617-E632 PolarHBondContact NH2-OE1 2.81Å; R617-E632 IonicContact NH2-OE2 2.76Å; R617-E632 PolarHBondContact NH2-OE2 3.08Å; L618-E632 WeakPolarHBondContact O-CA 3.36Å; F619-E632 HydrophobicContact CD1-CB 3.71Å; F619-E632 HydrophobicContact CD1-CG 4.17Å; F619-E632 HydrophobicContact CE1-CB 3.7Å; F619-E632 HydrophobicContact CE1-CG 3.89Å; F619-E632 HydrophobicContact CZ-CG 4.39Å |
| 633 | I | 57.3 | Low | 60.5 | Low | 33 Ų | 33 | 56.3 Ų | 56.3 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 119.6 | 172.5 | -54.9 | -177.9 | 0 | 0 | 0 | 107.9 | L618 E620 F636 D640 M647 | L618-I633 HydrophobicContact CB-CB 4.39Å; L618-I633 HydrophobicContact CD2-CB 4.33Å; L618-I633 HydrophobicContact CD2-CD1 4.26Å; L618-I633 HydrophobicContact CG-CB 4.47Å; L618-I633 PolarHBondContact O-N 2.87Å; E620-I633 HydrophobicContact CB-CD1 4.24Å; I633-F636 HydrophobicContact CG2-CB 4Å; I633-D640 HydrophobicContact CD1-CB 4.25Å; I633-D640 HydrophobicContact CG2-CB 4.19Å; I633-M647 HydrophobicContact CD1-CE 3.48Å; I633-M647 VanDerWaalsContact CD1-CE 3.48Å |
| 634 | T | 60.6 | Low | 61.4 | Low | 98 Ų | 98 | 56.3 Ų | 56.3 | 60% | 0.601 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -97.1 | 149.4 | 178.5 | 55.8 | 0 | 0 | 0 | 0 | 110.4 | F636 | T634-F636 VanDerWaalsContact C-N 3.28Å; T634-F636 PolarHBondContact O-N 2.98Å |
| 635 | D | 61.2 | Low | 63 | Low | 151 Ų | 151 | 53.6 Ų | 53.6 | 81% | 0.807 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 52.5 | 44.2 | -179.1 | -53.8 | -39 | 0 | 0 | 0 | 113.1 | ||
| 636 | F | 66.8 | Low | 65.3 | Low | 30 Ų | 30 | 50.2 Ų | 50.2 | 13% | 0.132 | 29% | 0.285 | C | S | . | . | trans | -69.3 | 145.7 | -169.1 | 60.2 | -96.1 | 0 | 0 | 0 | 113.4 | L618 I633 T634 D640 L649 W707 F708 | L618-F636 HydrophobicContact CB-CB 4.08Å; L618-F636 HydrophobicContact CB-CD1 3.53Å; L618-F636 HydrophobicContact CB-CD2 4.37Å; L618-F636 HydrophobicContact CB-CE1 4.04Å; L618-F636 HydrophobicContact CB-CG 3.73Å; L618-F636 HydrophobicContact CD2-CB 3.53Å; L618-F636 HydrophobicContact CD2-CD1 4.48Å; L618-F636 HydrophobicContact CD2-CD2 4.13Å; L618-F636 HydrophobicContact CD2-CG 3.81Å; L618-F636 HydrophobicContact CG-CB 4.45Å; L618-F636 HydrophobicContact CG-CG 4.4Å; I633-F636 HydrophobicContact CG2-CB 4Å; T634-F636 VanDerWaalsContact C-N 3.28Å; T634-F636 PolarHBondContact O-N 2.98Å; F636-D640 VanDerWaalsContact CA-OD2 3.26Å; F636-D640 WeakPolarHBondContact CA-OD2 3.46Å; F636-L649 HydrophobicContact CE1-CD1 4.23Å; F636-L649 HydrophobicContact CE2-CD1 4.23Å; F636-L649 HydrophobicContact CZ-CD1 3.74Å; F636-W707 WeakPolarHBondContact CE2-O 3.26Å; F636-F708 AromaticContact CD2-CD1 3.76Å; F636-F708 HydrophobicContact CD2-CD1 3.76Å; F636-F708 AromaticContact CD2-CE1 3.52Å; F636-F708 HydrophobicContact CD2-CE1 3.52Å; F636-F708 HydrophobicContact CD2-CZ 4.21Å; F636-F708 HydrophobicContact CE2-CD1 4.01Å; F636-F708 AromaticContact CE2-CE1 3.86Å; F636-F708 HydrophobicContact CE2-CE1 3.86Å; F636-F708 HydrophobicContact CE2-CG 4.5Å; F636-F708 HydrophobicContact CE2-CZ 4.18Å | ||
| 637 | T | 71.6 | Confident | 67.7 | Low | 37 Ų | 37 | 48.3 Ų | 48.3 | 23% | 0.227 | 27% | 0.265 | C | S | . | . | trans | -120.9 | 177.7 | 169.1 | 75.3 | 0 | 0 | 0 | 0 | 110.9 | D639 D640 | T637-D639 PolarHBondContact O-N 3.29Å; T637-D639 PolarHBondContact OG1-N 3.26Å; T637-D640 PolarHBondContact N-OD2 3.07Å; T637-D640 WeakPolarHBondContact O-CB 3.45Å; T637-D640 PolarHBondContact O-N 2.83Å | ||
| 638 | Q | 79.8 | Confident | 69.7 | Low | 7 Ų | 7 | 43.5 Ų | 43.5 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -60.4 | -30.8 | 175.5 | -176.5 | 177.2 | 20.5 | 0 | 0 | 112.3 | D640 L641 W711 D712 I715 | Q638-D640 PolarHBondContact O-N 3.34Å; Q638-L641 HydrophobicContact CG-CD1 4.46Å; Q638-L641 WeakPolarHBondContact O-CB 3.49Å; Q638-L641 PolarHBondContact O-N 2.94Å; Q638-L641 VanDerWaalsContact O-N 3.1Å; Q638-W711 HydrophobicContact CB-CE3 3.74Å; Q638-W711 HydrophobicContact CB-CZ3 3.8Å; Q638-W711 VanDerWaalsContact CD-CE3 3.47Å; Q638-W711 HydrophobicContact CG-CD2 4.19Å; Q638-W711 HydrophobicContact CG-CE3 3.57Å; Q638-W711 HydrophobicContact CG-CH2 3.98Å; Q638-W711 HydrophobicContact CG-CZ3 3.44Å; Q638-W711 VanDerWaalsContact CG-CZ3 3.44Å; Q638-W711 VanDerWaalsContact NE2-CE2 3.29Å; Q638-D712 PolarHBondContact NE2-O 2.86Å; Q638-D712 PolarHBondContact OE1-O 2.58Å; Q638-I715 HydrophobicContact CG-CD1 4.05Å; Q638-I715 HydrophobicContact CG-CG2 4.24Å |
| 639 | D | 69.5 | Low | 71.6 | Confident | 90 Ų | 90 | 41.4 Ų | 41.4 | 48% | 0.481 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -64.3 | -19.8 | 178.9 | -67.4 | -71.4 | 0 | 0 | 0 | 113 | T637 L641 | T637-D639 PolarHBondContact O-N 3.29Å; T637-D639 PolarHBondContact OG1-N 3.26Å; D639-L641 VanDerWaalsContact C-N 3.26Å; D639-L641 PolarHBondContact O-N 2.89Å |
| 640 | D | 70.6 | Confident | 73.3 | Confident | 61 Ų | 61 | 39.7 Ų | 39.7 | 33% | 0.326 | 22% | 0.223 | S | C | . | . | G | 310 helix | trans | -79 | -7.6 | 176.7 | -64.4 | -53.9 | 0 | 0 | 0 | 113.1 | L618 I633 F636 T637 Q638 N642 M647 | L618-D640 HydrophobicContact CD2-CB 4.35Å; I633-D640 HydrophobicContact CD1-CB 4.25Å; I633-D640 HydrophobicContact CG2-CB 4.19Å; F636-D640 VanDerWaalsContact CA-OD2 3.26Å; F636-D640 WeakPolarHBondContact CA-OD2 3.46Å; T637-D640 PolarHBondContact N-OD2 3.07Å; T637-D640 WeakPolarHBondContact O-CB 3.45Å; T637-D640 PolarHBondContact O-N 2.83Å; Q638-D640 PolarHBondContact O-N 3.34Å; D640-N642 PolarHBondContact O-N 2.82Å; D640-N642 VanDerWaalsContact O-N 3.09Å; D640-M647 WeakPolarHBondContact O-CE 3.23Å |
| 641 | L | 78.3 | Confident | 74.2 | Confident | 7 Ų | 7 | 36.9 Ų | 36.9 | 4% | 0.037 | 21% | 0.206 | C | C | . | . | trans | -77.7 | 94.8 | 175.8 | -63.7 | 179.2 | 0 | 0 | 0 | 110.8 | L618 Q638 D639 P643 M647 W658 F704 F708 W711 | L618-L641 HydrophobicContact CD1-CD2 4.47Å; L618-L641 HydrophobicContact CD2-CD2 4.48Å; Q638-L641 HydrophobicContact CG-CD1 4.46Å; Q638-L641 WeakPolarHBondContact O-CB 3.49Å; Q638-L641 PolarHBondContact O-N 2.94Å; Q638-L641 VanDerWaalsContact O-N 3.1Å; D639-L641 VanDerWaalsContact C-N 3.26Å; D639-L641 PolarHBondContact O-N 2.89Å; L641-P643 VanDerWaalsContact O-CD 3.26Å; L641-P643 WeakPolarHBondContact O-CD 3.13Å; L641-M647 HydrophobicContact CD2-CB 4.08Å; L641-M647 HydrophobicContact CD2-CG 3.8Å; L641-W658 HydrophobicContact CB-CH2 3.97Å; L641-W658 HydrophobicContact CB-CZ2 4.04Å; L641-W658 HydrophobicContact CB-CZ3 4.23Å; L641-W658 HydrophobicContact CD1-CZ2 4.44Å; L641-W658 HydrophobicContact CD2-CD2 4.31Å; L641-W658 HydrophobicContact CD2-CE3 4.46Å; L641-F704 HydrophobicContact CD1-CE1 4.14Å; L641-F704 HydrophobicContact CD1-CZ 4.36Å; L641-F704 HydrophobicContact CD2-CZ 4.37Å; L641-F708 HydrophobicContact CD1-CE1 4.18Å; L641-F708 HydrophobicContact CD1-CZ 4.06Å; L641-F708 HydrophobicContact CD2-CE1 4.19Å; L641-F708 HydrophobicContact CD2-CZ 3.98Å; L641-F708 HydrophobicContact CG-CE1 4.14Å; L641-F708 HydrophobicContact CG-CZ 4.27Å; L641-W711 HydrophobicContact CD1-CH2 3.38Å; L641-W711 HydrophobicContact CD1-CZ3 3.65Å | ||
| 642 | N | 74.8 | Confident | 75.2 | Confident | 51 Ų | 51 | 37.1 Ų | 37.1 | 27% | 0.273 | 20% | 0.198 | S | C | . | . | trans | -73.9 | 114 | -176.7 | -167.4 | -23.5 | 0 | 0 | 0 | 112.3 | E620 K624 D640 G644 D645 M647 W658 | E620-N642 PolarHBondContact OE1-ND2 3.26Å; E620-N642 VanDerWaalsContact OE1-ND2 3.09Å; K624-N642 PolarHBondContact NZ-ND2 3.37Å; K624-N642 PolarHBondContact NZ-OD1 2.65Å; D640-N642 PolarHBondContact O-N 2.82Å; D640-N642 VanDerWaalsContact O-N 3.09Å; N642-G644 PolarHBondContact O-N 3.1Å; N642-G644 PolarHBondContact OD1-N 2.89Å; N642-G644 VanDerWaalsContact OD1-N 3.09Å; N642-D645 HydrophobicContact CB-CB 4.33Å; N642-D645 PolarHBondContact ND2-OD2 3.16Å; N642-D645 VanDerWaalsContact ND2-OD2 3.17Å; N642-D645 PolarHBondContact O-N 3.4Å; N642-M647 HydrophobicContact CB-SD 4.39Å; N642-W658 WeakPolarHBondContact O-CZ3 3.34Å | ||
| 643 | P | 75.1 | Confident | 75.3 | Confident | 45 Ų | 45 | 37.4 Ų | 37.4 | 29% | 0.292 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -22.3 | 179.2 | -26.7 | 37.4 | 0 | 0 | 0 | 114.3 | L641 G660 A661 E662 A663 | L641-P643 VanDerWaalsContact O-CD 3.26Å; L641-P643 WeakPolarHBondContact O-CD 3.13Å; P643-G660 CarbonylContact O-C 3.53Å; P643-G660 WeakPolarHBondContact O-CA 3.28Å; P643-A661 PolarHBondContact O-N 3.44Å; P643-E662 WeakPolarHBondContact O-CA 3.45Å; P643-E662 WeakPolarHBondContact O-CB 3.41Å; P643-E662 PolarHBondContact O-N 3.5Å; P643-A663 PolarHBondContact O-N 2.69Å |
| 644 | G | 72.6 | Confident | 76.6 | Confident | 10 Ų | 10 | 37.4 Ų | 37.4 | 10% | 0.103 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | N642 | N642-G644 PolarHBondContact O-N 3.1Å; N642-G644 PolarHBondContact OD1-N 2.89Å; N642-G644 VanDerWaalsContact OD1-N 3.09Å |
| 645 | D | 77.2 | Confident | 77.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -133.5 | 176.3 | -175.6 | -72.6 | -48 | 0 | 0 | 0 | 113.2 | E620 S622 K624 N642 M647 G660 A663 | E620-D645 HydrophobicContact CG-CB 4.12Å; E620-D645 VanDerWaalsContact OE1-OD2 3.09Å; S622-D645 WeakPolarHBondContact CA-OD1 3.31Å; S622-D645 WeakPolarHBondContact CB-OD1 3.24Å; S622-D645 VanDerWaalsContact OG-CG 3.29Å; S622-D645 PolarHBondContact OG-OD1 2.91Å; S622-D645 PolarHBondContact OG-OD2 3.38Å; K624-D645 WeakPolarHBondContact CD-OD1 3.34Å; K624-D645 WeakPolarHBondContact CD-OD2 3.35Å; K624-D645 WeakPolarHBondContact CE-OD1 3.35Å; K624-D645 WeakPolarHBondContact CE-OD2 3.2Å; K624-D645 IonicContact NZ-OD1 2.91Å; K624-D645 IonicContact NZ-OD2 3.99Å; K624-D645 PolarHBondContact NZ-OD2 2.72Å; N642-D645 HydrophobicContact CB-CB 4.33Å; N642-D645 PolarHBondContact ND2-OD2 3.16Å; N642-D645 VanDerWaalsContact ND2-OD2 3.17Å; N642-D645 PolarHBondContact O-N 3.4Å; D645-M647 HydrophobicContact CB-SD 4.47Å; D645-G660 WeakPolarHBondContact O-CA 3.37Å; D645-G660 PolarHBondContact O-N 3.35Å; D645-A663 WeakPolarHBondContact O-CB 3.49Å |
| 646 | V | 85.6 | Confident | 79.4 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 132.5 | 166.5 | 175.3 | 0 | 0 | 0 | 0 | 108.6 | C621 L657 W658 I659 A663 E667 K668 A671 | C621-V646 CarbonylContact C-O 3.46Å; C621-V646 VanDerWaalsContact CA-O 3.32Å; C621-V646 WeakPolarHBondContact CA-O 3.28Å; C621-V646 HydrophobicContact CB-CB 4.12Å; C621-V646 HydrophobicContact CB-CG1 4.36Å; C621-V646 WeakPolarHBondContact CB-O 3.33Å; C621-V646 PolarHBondContact N-O 3.41Å; C621-V646 PolarHBondContact O-N 2.95Å; V646-L657 HydrophobicContact CG1-CD2 4.12Å; V646-W658 CarbonylContact C-O 3.43Å; V646-W658 WeakPolarHBondContact CA-O 3.49Å; V646-I659 HydrophobicContact CB-CD1 4.21Å; V646-I659 HydrophobicContact CG1-CD1 3.64Å; V646-I659 HydrophobicContact CG2-CD1 3.6Å; V646-A663 HydrophobicContact CG2-CB 4.16Å; V646-E667 HydrophobicContact CG2-CB 4.04Å; V646-K668 HydrophobicContact CG2-CG 4.25Å; V646-A671 HydrophobicContact CB-CB 3.89Å; V646-A671 HydrophobicContact CG1-CB 3.39Å; V646-A671 HydrophobicContact CG2-CB 4.27Å |
| 647 | M | 89.5 | Confident | 80.7 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 135.4 | 174.8 | -46.8 | -59.5 | -71 | 0 | 0 | 109.6 | L618 F619 E620 I633 D640 L641 N642 D645 L657 W658 | L618-M647 HydrophobicContact CD1-CB 4.05Å; L618-M647 HydrophobicContact CD1-CE 4.49Å; L618-M647 HydrophobicContact CD2-CE 4.12Å; L618-M647 HydrophobicContact CG-CE 4.21Å; F619-M647 CarbonylContact O-C 3.6Å; F619-M647 VanDerWaalsContact O-CA 3.31Å; F619-M647 WeakPolarHBondContact O-CA 3.41Å; E620-M647 HydrophobicContact CB-CE 3.87Å; E620-M647 HydrophobicContact CB-SD 4.05Å; E620-M647 HydrophobicContact CG-CE 4.29Å; E620-M647 HydrophobicContact CG-SD 3.92Å; I633-M647 HydrophobicContact CD1-CE 3.48Å; I633-M647 VanDerWaalsContact CD1-CE 3.48Å; D640-M647 WeakPolarHBondContact O-CE 3.23Å; L641-M647 HydrophobicContact CD2-CB 4.08Å; L641-M647 HydrophobicContact CD2-CG 3.8Å; N642-M647 HydrophobicContact CB-SD 4.39Å; D645-M647 HydrophobicContact CB-SD 4.47Å; M647-L657 CarbonylContact O-C 3.6Å; M647-L657 WeakPolarHBondContact O-CA 3.2Å; M647-W658 HydrophobicContact CB-CB 4.21Å; M647-W658 HydrophobicContact CB-CE3 4.23Å; M647-W658 HydrophobicContact CG-CD2 4.5Å; M647-W658 HydrophobicContact CG-CE3 3.62Å; M647-W658 HydrophobicContact CG-CZ3 4.09Å; M647-W658 PolarHBondContact N-O 2.82Å; M647-W658 PolarHBondContact O-N 3.44Å |
| 648 | L | 89.9 | Confident | 81.7 | Confident | 1 Ų | 1 | 22.5 Ų | 22.5 | 1% | 0.005 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 113.8 | 173.8 | -173.9 | 162.5 | 0 | 0 | 0 | 108.3 | L618 F619 D650 V655 F656 L657 A675 | L618-L648 CarbonylContact C-O 3.48Å; L618-L648 WeakPolarHBondContact CA-O 3.41Å; F619-L648 HydrophobicContact CB-CB 4.28Å; F619-L648 HydrophobicContact CD2-CD2 3.76Å; F619-L648 WeakPolarHBondContact CD2-O 3.27Å; F619-L648 HydrophobicContact CE2-CD2 4.28Å; F619-L648 PolarHBondContact N-O 2.97Å; F619-L648 PolarHBondContact O-N 3.36Å; L648-D650 HydrophobicContact CD2-CB 4.22Å; L648-V655 HydrophobicContact CD1-CG1 4.17Å; L648-V655 HydrophobicContact CD2-CG1 3.64Å; L648-V655 HydrophobicContact CG-CG1 3.65Å; L648-F656 CarbonylContact C-O 3.54Å; L648-F656 VanDerWaalsContact CA-O 3.27Å; L648-F656 WeakPolarHBondContact CA-O 3.46Å; L648-L657 HydrophobicContact CB-CD2 3.87Å; L648-L657 HydrophobicContact CD1-CD2 4.07Å; L648-L657 HydrophobicContact CG-CD2 3.93Å; L648-A675 HydrophobicContact CD1-CB 3.85Å |
| 649 | L | 87.8 | Confident | 82.1 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 111.2 | 173.8 | 173.2 | 67.9 | 0 | 0 | 0 | 108.9 | R617 L618 F636 T651 F656 F704 W707 F708 | R617-L649 WeakPolarHBondContact O-CA 3.47Å; L618-L649 HydrophobicContact CB-CD1 4.38Å; L618-L649 HydrophobicContact CD1-CB 3.91Å; L618-L649 HydrophobicContact CD1-CD1 4.32Å; F636-L649 HydrophobicContact CE1-CD1 4.23Å; F636-L649 HydrophobicContact CE2-CD1 4.23Å; F636-L649 HydrophobicContact CZ-CD1 3.74Å; L649-T651 HydrophobicContact CD1-CG2 4.48Å; L649-T651 HydrophobicContact CD2-CG2 4.14Å; L649-T651 HydrophobicContact CG-CG2 3.91Å; L649-F656 HydrophobicContact CB-CB 4.17Å; L649-F656 HydrophobicContact CB-CD2 4.46Å; L649-F656 HydrophobicContact CD2-CD2 4.03Å; L649-F656 HydrophobicContact CG-CD2 4.28Å; L649-F656 PolarHBondContact N-O 3.38Å; L649-F656 PolarHBondContact O-N 3.05Å; L649-F704 HydrophobicContact CB-CE2 4.12Å; L649-F704 HydrophobicContact CD2-CD2 3.84Å; L649-F704 HydrophobicContact CD2-CE2 3.7Å; L649-W707 HydrophobicContact CD2-CB 3.9Å; L649-W707 HydrophobicContact CD2-CG 4.05Å; L649-F708 HydrophobicContact CD2-CE2 4.11Å; L649-F708 HydrophobicContact CD2-CZ 4.42Å |
| 650 | D | 84.4 | Confident | 82.8 | Confident | 4 Ų | 4 | 19 Ų | 19 | 2% | 0.021 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 119.1 | 174 | -178.5 | 19.5 | 0 | 0 | 0 | 110.2 | S616 R617 L648 W652 Y678 R686 | S616-D650 CarbonylContact C-O 3.58Å; S616-D650 VanDerWaalsContact CA-O 3.25Å; S616-D650 WeakPolarHBondContact CA-O 3.13Å; R617-D650 PolarHBondContact N-O 3.2Å; R617-D650 PolarHBondContact O-N 2.81Å; L648-D650 HydrophobicContact CD2-CB 4.22Å; D650-W652 WeakPolarHBondContact OD1-CA 3.46Å; D650-W652 PolarHBondContact OD1-N 2.83Å; D650-Y678 HydrophobicContact CB-CE1 4.08Å; D650-Y678 WeakPolarHBondContact OD2-CE1 3.32Å; D650-Y678 PolarHBondContact OD2-OH 2.65Å; D650-R686 VanDerWaalsContact CG-NH1 3.35Å; D650-R686 IonicContact OD1-CZ 2.67Å; D650-R686 IonicContact OD1-NH1 3.99Å; D650-R686 PolarHBondContact OD1-NH1 2.82Å; D650-R686 VanDerWaalsContact OD1-NH1 3.17Å; D650-R686 IonicContact OD1-NH2 3.5Å; D650-R686 PolarHBondContact OD1-NH2 3.39Å; D650-R686 IonicContact OD2-CZ 3.5Å; D650-R686 IonicContact OD2-NH1 3.69Å; D650-R686 PolarHBondContact OD2-NH1 3.06Å; D650-R686 IonicContact OD2-NH2 2.65Å |
| 651 | T | 79.8 | Confident | 83.1 | Confident | 2 Ų | 2 | 19.5 Ų | 19.5 | 1% | 0.012 | 11% | 0.112 | C | C | . | . | trans | -111.5 | 17.1 | 178.2 | 64.6 | 0 | 0 | 0 | 0 | 112 | R606 L649 D653 Q654 F656 W707 | R606-T651 WeakPolarHBondContact CD-O 3.43Å; R606-T651 PolarHBondContact NE-O 3.17Å; L649-T651 HydrophobicContact CD1-CG2 4.48Å; L649-T651 HydrophobicContact CD2-CG2 4.14Å; L649-T651 HydrophobicContact CG-CG2 3.91Å; T651-D653 PolarHBondContact O-N 2.8Å; T651-Q654 PolarHBondContact N-O 3.36Å; T651-Q654 VanDerWaalsContact OG1-CG 3.26Å; T651-Q654 WeakPolarHBondContact OG1-CG 3.48Å; T651-Q654 PolarHBondContact OG1-O 3.41Å; T651-F656 HydrophobicContact CG2-CD2 3.94Å; T651-F656 HydrophobicContact CG2-CE2 3.78Å; T651-W707 HydrophobicContact CG2-CD2 3.87Å; T651-W707 HydrophobicContact CG2-CG 4.1Å; T651-W707 HydrophobicContact CG2-CZ2 3.98Å | ||
| 652 | W | 76.5 | Confident | 83 | Confident | 75 Ų | 75 | 26.6 Ų | 26.6 | 28% | 0.284 | 15% | 0.145 | S | C | . | . | S | Bend | trans | 69.7 | -57.5 | -174.1 | -168.8 | -94.9 | 0 | 0 | 0 | 115 | V614 D650 Q654 H682 R686 | V614-W652 HydrophobicContact CB-CB 4.5Å; V614-W652 HydrophobicContact CB-CD2 4.3Å; V614-W652 HydrophobicContact CB-CE3 4.15Å; V614-W652 HydrophobicContact CB-CG 4.47Å; V614-W652 HydrophobicContact CG1-CD2 4.34Å; V614-W652 HydrophobicContact CG1-CE3 3.73Å; V614-W652 HydrophobicContact CG1-CZ3 4.25Å; V614-W652 HydrophobicContact CG2-CD2 3.97Å; V614-W652 HydrophobicContact CG2-CE3 3.89Å; V614-W652 HydrophobicContact CG2-CG 4.47Å; V614-W652 HydrophobicContact CG2-CH2 4.45Å; V614-W652 HydrophobicContact CG2-CZ3 4.12Å; D650-W652 WeakPolarHBondContact OD1-CA 3.46Å; D650-W652 PolarHBondContact OD1-N 2.83Å; W652-Q654 VanDerWaalsContact C-N 3.26Å; W652-Q654 PolarHBondContact O-N 3.05Å; W652-H682 AromaticContact CZ3-CE1 3.75Å; W652-R686 VanDerWaalsContact C-NH2 3.34Å; W652-R686 VanDerWaalsContact CA-NH2 3.34Å; W652-R686 VanDerWaalsContact CE3-NH1 3.33Å; W652-R686 HydrophobicContact CZ3-CG 4.41Å; W652-R686 PolarHBondContact O-NE 3.45Å; W652-R686 PolarHBondContact O-NH2 3.45Å |
| 653 | D | 73.3 | Confident | 83.1 | Confident | 82 Ų | 82 | 24.4 Ų | 24.4 | 44% | 0.439 | 14% | 0.135 | S | C | . | . | S | Bend | trans | -74.4 | -23.7 | -177.8 | -59.9 | -39.6 | 0 | 0 | 0 | 111.9 | R606 T651 T690 P691 | R606-D653 WeakPolarHBondContact CD-OD2 3.39Å; R606-D653 IonicContact NH1-OD1 2.94Å; R606-D653 IonicContact NH1-OD2 3.52Å; R606-D653 PolarHBondContact NH1-OD2 3.18Å; T651-D653 PolarHBondContact O-N 2.8Å; D653-T690 WeakPolarHBondContact O-CG2 3.41Å; D653-P691 WeakPolarHBondContact O-CD 3.39Å |
| 654 | Q | 84.6 | Confident | 83.1 | Confident | 33 Ų | 33 | 24.9 Ų | 24.9 | 15% | 0.154 | 14% | 0.135 | C | C | . | . | trans | -154.1 | 156.8 | 177.1 | 60.8 | -165 | 0.1 | 0 | 0 | 111 | T651 W652 F656 P691 L693 | T651-Q654 PolarHBondContact N-O 3.36Å; T651-Q654 VanDerWaalsContact OG1-CG 3.26Å; T651-Q654 WeakPolarHBondContact OG1-CG 3.48Å; T651-Q654 PolarHBondContact OG1-O 3.41Å; W652-Q654 VanDerWaalsContact C-N 3.26Å; W652-Q654 PolarHBondContact O-N 3.05Å; Q654-F656 HydrophobicContact CG-CD2 4.45Å; Q654-F656 HydrophobicContact CG-CE2 3.82Å; Q654-F656 HydrophobicContact CG-CZ 3.91Å; Q654-P691 WeakPolarHBondContact CA-O 3.27Å; Q654-P691 HydrophobicContact CB-CG 3.87Å; Q654-L693 HydrophobicContact CB-CD1 3.7Å; Q654-L693 HydrophobicContact CG-CD1 4.1Å | ||
| 655 | V | 87.6 | Confident | 83.3 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 126.3 | 174.4 | 180 | 0 | 0 | 0 | 0 | 108.7 | L648 A675 L679 P691 I692 L693 | L648-V655 HydrophobicContact CD1-CG1 4.17Å; L648-V655 HydrophobicContact CD2-CG1 3.64Å; L648-V655 HydrophobicContact CG-CG1 3.65Å; V655-A675 HydrophobicContact CG1-CB 4.29Å; V655-L679 HydrophobicContact CG2-CD2 3.86Å; V655-L679 HydrophobicContact CG2-CG 4.31Å; V655-P691 PolarHBondContact N-O 3.15Å; V655-I692 HydrophobicContact CB-CG1 4.26Å; V655-I692 CarbonylContact O-C 3.52Å; V655-I692 WeakPolarHBondContact O-CA 3.38Å; V655-L693 PolarHBondContact O-N 2.9Å |
| 656 | F | 91.8 | Very high | 83.1 | Confident | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 137.3 | 174.1 | -61.5 | -80.3 | 0 | 0 | 0 | 110.5 | L648 L649 T651 Q654 L693 I695 I703 F704 | L648-F656 CarbonylContact C-O 3.54Å; L648-F656 VanDerWaalsContact CA-O 3.27Å; L648-F656 WeakPolarHBondContact CA-O 3.46Å; L649-F656 HydrophobicContact CB-CB 4.17Å; L649-F656 HydrophobicContact CB-CD2 4.46Å; L649-F656 HydrophobicContact CD2-CD2 4.03Å; L649-F656 HydrophobicContact CG-CD2 4.28Å; L649-F656 PolarHBondContact N-O 3.38Å; L649-F656 PolarHBondContact O-N 3.05Å; T651-F656 HydrophobicContact CG2-CD2 3.94Å; T651-F656 HydrophobicContact CG2-CE2 3.78Å; Q654-F656 HydrophobicContact CG-CD2 4.45Å; Q654-F656 HydrophobicContact CG-CE2 3.82Å; Q654-F656 HydrophobicContact CG-CZ 3.91Å; F656-L693 CarbonylContact C-O 3.51Å; F656-L693 WeakPolarHBondContact CA-O 3.18Å; F656-L693 HydrophobicContact CD1-CB 3.73Å; F656-L693 HydrophobicContact CD1-CD1 4.36Å; F656-L693 HydrophobicContact CD1-CG 4.46Å; F656-L693 HydrophobicContact CE1-CB 4.09Å; F656-L693 HydrophobicContact CE1-CD1 4.21Å; F656-L693 HydrophobicContact CE1-CD2 4.14Å; F656-L693 HydrophobicContact CE1-CG 4.38Å; F656-I695 HydrophobicContact CB-CD1 4.15Å; F656-I695 HydrophobicContact CD1-CD1 3.28Å; F656-I695 HydrophobicContact CD1-CG1 4.25Å; F656-I695 HydrophobicContact CE1-CD1 3.84Å; F656-I695 HydrophobicContact CG-CD1 4.02Å; F656-I703 HydrophobicContact CE1-CD1 3.97Å; F656-I703 HydrophobicContact CE1-CG1 3.99Å; F656-I703 HydrophobicContact CZ-CB 4.4Å; F656-I703 HydrophobicContact CZ-CD1 4.26Å; F656-I703 HydrophobicContact CZ-CG1 4.06Å; F656-I703 VanDerWaalsContact CZ-O 3.26Å; F656-I703 WeakPolarHBondContact CZ-O 3.23Å; F656-F704 HydrophobicContact CB-CD2 3.72Å; F656-F704 HydrophobicContact CB-CE2 3.9Å; F656-F704 HydrophobicContact CD1-CB 4.43Å; F656-F704 HydrophobicContact CD1-CD2 4.01Å; F656-F704 HydrophobicContact CD2-CD2 4Å; F656-F704 HydrophobicContact CE1-CB 4.22Å; F656-F704 AromaticContact CG-CD2 3.67Å; F656-F704 HydrophobicContact CG-CD2 3.67Å; F656-F704 HydrophobicContact CG-CE2 4.33Å; F656-F704 HydrophobicContact CZ-CB 4.38Å |
| 657 | L | 93.7 | Very high | 82.5 | Confident | 3 Ų | 3 | 32.2 Ų | 32.2 | 2% | 0.016 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 96.1 | 167 | -72.3 | 178.5 | 0 | 0 | 0 | 108.5 | V646 M647 L648 A671 L672 A675 I692 L693 I694 I695 | V646-L657 HydrophobicContact CG1-CD2 4.12Å; M647-L657 CarbonylContact O-C 3.6Å; M647-L657 WeakPolarHBondContact O-CA 3.2Å; L648-L657 HydrophobicContact CB-CD2 3.87Å; L648-L657 HydrophobicContact CD1-CD2 4.07Å; L648-L657 HydrophobicContact CG-CD2 3.93Å; L657-A671 HydrophobicContact CD2-CB 4.21Å; L657-L672 HydrophobicContact CD1-CB 4.24Å; L657-L672 HydrophobicContact CD1-CD1 3.97Å; L657-A675 HydrophobicContact CD1-CB 3.98Å; L657-A675 HydrophobicContact CD2-CB 4.15Å; L657-A675 HydrophobicContact CG-CB 4.24Å; L657-I692 HydrophobicContact CD1-CG2 3.72Å; L657-I692 HydrophobicContact CG-CG2 3.94Å; L657-L693 PolarHBondContact N-O 2.81Å; L657-I694 HydrophobicContact CB-CG1 4.4Å; L657-I694 WeakPolarHBondContact O-CA 3.38Å; L657-I695 PolarHBondContact O-N 2.63Å |
| 658 | W | 93.9 | Very high | 82.1 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 124.7 | 174.2 | -178 | 96.9 | 0 | 0 | 0 | 109.6 | L641 N642 V646 M647 I695 Q697 E700 F704 W716 | L641-W658 HydrophobicContact CB-CH2 3.97Å; L641-W658 HydrophobicContact CB-CZ2 4.04Å; L641-W658 HydrophobicContact CB-CZ3 4.23Å; L641-W658 HydrophobicContact CD1-CZ2 4.44Å; L641-W658 HydrophobicContact CD2-CD2 4.31Å; L641-W658 HydrophobicContact CD2-CE3 4.46Å; N642-W658 WeakPolarHBondContact O-CZ3 3.34Å; V646-W658 CarbonylContact C-O 3.43Å; V646-W658 WeakPolarHBondContact CA-O 3.49Å; M647-W658 HydrophobicContact CB-CB 4.21Å; M647-W658 HydrophobicContact CB-CE3 4.23Å; M647-W658 HydrophobicContact CG-CD2 4.5Å; M647-W658 HydrophobicContact CG-CE3 3.62Å; M647-W658 HydrophobicContact CG-CZ3 4.09Å; M647-W658 PolarHBondContact N-O 2.82Å; M647-W658 PolarHBondContact O-N 3.44Å; W658-I695 CarbonylContact C-O 3.53Å; W658-I695 WeakPolarHBondContact CA-O 3.46Å; W658-Q697 HydrophobicContact CH2-CB 4.03Å; W658-Q697 HydrophobicContact CH2-CG 4.12Å; W658-Q697 HydrophobicContact CZ2-CB 3.52Å; W658-Q697 HydrophobicContact CZ2-CG 3.63Å; W658-E700 PolarHBondContact NE1-OE1 3.28Å; W658-F704 HydrophobicContact CB-CE2 4.08Å; W658-F704 HydrophobicContact CB-CZ 3.76Å; W658-F704 AromaticContact CD1-CE1 3.64Å; W658-F704 AromaticContact CD1-CZ 3.63Å; W658-F704 HydrophobicContact CG-CE1 4.34Å; W658-F704 AromaticContact CG-CZ 3.89Å; W658-F704 HydrophobicContact CG-CZ 3.89Å; W658-W716 HydrophobicContact CZ2-CZ2 4.49Å |
| 659 | I | 88.6 | Confident | 81.4 | Confident | 22 Ų | 22 | 44.4 Ų | 44.4 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 110.1 | -174 | -52.4 | -60.1 | 0 | 0 | 0 | 108.9 | V646 A663 K668 I694 I695 Q697 | V646-I659 HydrophobicContact CB-CD1 4.21Å; V646-I659 HydrophobicContact CG1-CD1 3.64Å; V646-I659 HydrophobicContact CG2-CD1 3.6Å; I659-A663 HydrophobicContact CG2-CB 4.4Å; I659-K668 HydrophobicContact CD1-CG 4.49Å; I659-K668 HydrophobicContact CG2-CD 3.98Å; I659-K668 HydrophobicContact CG2-CG 3.89Å; I659-I694 HydrophobicContact CD1-CG2 4.3Å; I659-I694 HydrophobicContact CG1-CG2 3.71Å; I659-I695 WeakPolarHBondContact CB-O 3.39Å; I659-I695 WeakPolarHBondContact CG1-O 3.09Å; I659-I695 PolarHBondContact N-O 2.87Å; I659-Q697 PolarHBondContact O-N 3.46Å |
| 660 | G | 82.4 | Confident | 80.7 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 25% | 0.25 | C | S | . | . | trans | -60.5 | 147.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | P643 D645 E662 A663 | P643-G660 CarbonylContact O-C 3.53Å; P643-G660 WeakPolarHBondContact O-CA 3.28Å; D645-G660 WeakPolarHBondContact O-CA 3.37Å; D645-G660 PolarHBondContact O-N 3.35Å; G660-E662 PolarHBondContact O-N 2.84Å; G660-A663 WeakPolarHBondContact O-CB 3.41Å; G660-A663 PolarHBondContact O-N 2.71Å | ||
| 661 | A | 77.6 | Confident | 80.2 | Confident | 72 Ų | 72 | 45.8 Ų | 45.8 | 60% | 0.595 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -33.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | P643 Q697 | P643-A661 PolarHBondContact O-N 3.44Å; A661-Q697 HydrophobicContact CB-CB 4.49Å |
| 662 | E | 76.3 | Confident | 80.3 | Confident | 156 Ų | 156 | 48.8 Ų | 48.8 | 73% | 0.729 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99 | -1.6 | -177.7 | -59.4 | 176.8 | -173.7 | 0 | 0 | 113 | P643 G660 | P643-E662 WeakPolarHBondContact O-CA 3.45Å; P643-E662 WeakPolarHBondContact O-CB 3.41Å; P643-E662 PolarHBondContact O-N 3.5Å; G660-E662 PolarHBondContact O-N 2.84Å |
| 663 | A | 76.2 | Confident | 80.2 | Confident | 6 Ų | 6 | 47.8 Ų | 47.8 | 5% | 0.05 | 27% | 0.272 | C | S | . | . | trans | -59.1 | 138.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | P643 D645 V646 I659 G660 K668 | P643-A663 PolarHBondContact O-N 2.69Å; D645-A663 WeakPolarHBondContact O-CB 3.49Å; V646-A663 HydrophobicContact CG2-CB 4.16Å; I659-A663 HydrophobicContact CG2-CB 4.4Å; G660-A663 WeakPolarHBondContact O-CB 3.41Å; G660-A663 PolarHBondContact O-N 2.71Å; A663-K668 WeakPolarHBondContact O-CE 3.21Å; A663-K668 PolarHBondContact O-NZ 2.73Å | ||
| 664 | N | 75.4 | Confident | 80.4 | Confident | 55 Ų | 55 | 45.9 Ų | 45.9 | 29% | 0.294 | 26% | 0.263 | S | S | . | . | trans | -83.5 | 161 | -174.5 | 68.1 | 64.6 | 0 | 0 | 0 | 112.9 | N623 T666 E667 K668 | N623-N664 PolarHBondContact ND2-ND2 2.91Å; N623-N664 PolarHBondContact ND2-OD1 2.95Å; N623-N664 PolarHBondContact OD1-ND2 3.05Å; N664-T666 PolarHBondContact O-N 2.85Å; N664-T666 WeakPolarHBondContact OD1-CB 3.4Å; N664-T666 PolarHBondContact OD1-N 3.15Å; N664-E667 VanDerWaalsContact CG-CD 3.45Å; N664-E667 PolarHBondContact N-OE2 3.1Å; N664-E667 PolarHBondContact ND2-OE1 2.95Å; N664-E667 PolarHBondContact ND2-OE2 3.01Å; N664-E667 PolarHBondContact O-N 3.28Å; N664-E667 PolarHBondContact OD1-N 3.36Å; N664-K668 WeakPolarHBondContact O-CG 3.23Å; N664-K668 PolarHBondContact O-N 3.27Å; N664-K668 VanDerWaalsContact O-N 3.08Å | ||
| 665 | A | 76.7 | Confident | 80 | Confident | 81 Ų | 81 | 44.3 Ų | 44.3 | 67% | 0.669 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -61.1 | -31 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | K669 | A665-K669 PolarHBondContact O-N 3.2Å; A665-K669 VanDerWaalsContact O-N 3.15Å |
| 666 | T | 72.9 | Confident | 79.5 | Confident | 83 Ų | 83 | 49.3 Ų | 49.3 | 51% | 0.509 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -71 | -43.8 | 178.4 | -56.6 | 0 | 0 | 0 | 0 | 110.9 | N623 N664 K669 S670 | N623-T666 WeakPolarHBondContact ND2-CB 3.48Å; N664-T666 PolarHBondContact O-N 2.85Å; N664-T666 WeakPolarHBondContact OD1-CB 3.4Å; N664-T666 PolarHBondContact OD1-N 3.15Å; T666-K669 PolarHBondContact O-N 2.92Å; T666-S670 VanDerWaalsContact O-CB 3.25Å; T666-S670 WeakPolarHBondContact O-CB 3.31Å; T666-S670 PolarHBondContact O-N 3.1Å; T666-S670 PolarHBondContact O-OG 3.37Å; T666-S670 VanDerWaalsContact O-OG 3.06Å |
| 667 | E | 73.1 | Confident | 78.5 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.2 | -47.5 | 172.8 | -79.3 | 150.8 | -170.5 | 0 | 0 | 111.7 | N623 F628 V646 N664 K669 S670 A671 | N623-E667 HydrophobicContact CB-CG 4.19Å; N623-E667 VanDerWaalsContact CG-OE1 3.23Å; N623-E667 PolarHBondContact N-OE1 2.94Å; N623-E667 PolarHBondContact OD1-OE1 2.85Å; F628-E667 HydrophobicContact CD2-CG 4.42Å; F628-E667 HydrophobicContact CE2-CG 4.49Å; V646-E667 HydrophobicContact CG2-CB 4.04Å; N664-E667 VanDerWaalsContact CG-CD 3.45Å; N664-E667 PolarHBondContact N-OE2 3.1Å; N664-E667 PolarHBondContact ND2-OE1 2.95Å; N664-E667 PolarHBondContact ND2-OE2 3.01Å; N664-E667 PolarHBondContact O-N 3.28Å; N664-E667 PolarHBondContact OD1-N 3.36Å; E667-K669 VanDerWaalsContact C-N 3.29Å; E667-K669 PolarHBondContact O-N 3.18Å; E667-S670 PolarHBondContact O-N 3.03Å; E667-A671 WeakPolarHBondContact O-CB 3.24Å; E667-A671 PolarHBondContact O-N 3.24Å |
| 668 | K | 80.7 | Confident | 77.5 | Confident | 86 Ų | 86 | 56 Ų | 56 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.2 | -43.5 | 178.9 | -68.3 | 172.4 | -174.2 | 170.3 | 0 | 112.1 | V646 I659 A663 N664 | V646-K668 HydrophobicContact CG2-CG 4.25Å; I659-K668 HydrophobicContact CD1-CG 4.49Å; I659-K668 HydrophobicContact CG2-CD 3.98Å; I659-K668 HydrophobicContact CG2-CG 3.89Å; A663-K668 WeakPolarHBondContact O-CE 3.21Å; A663-K668 PolarHBondContact O-NZ 2.73Å; N664-K668 WeakPolarHBondContact O-CG 3.23Å; N664-K668 PolarHBondContact O-N 3.27Å; N664-K668 VanDerWaalsContact O-N 3.08Å |
| 669 | K | 76.2 | Confident | 76.2 | Confident | 171 Ų | 171 | 56.1 Ų | 56.1 | 74% | 0.743 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -72.8 | -45.9 | 178.8 | -172.9 | 178.5 | 179.2 | -178.6 | 0 | 112.2 | A665 T666 E667 A673 | A665-K669 PolarHBondContact O-N 3.2Å; A665-K669 VanDerWaalsContact O-N 3.15Å; T666-K669 PolarHBondContact O-N 2.92Å; E667-K669 VanDerWaalsContact C-N 3.29Å; E667-K669 PolarHBondContact O-N 3.18Å; K669-A673 PolarHBondContact O-N 3.22Å |
| 670 | S | 73.2 | Confident | 75 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 24% | 0.238 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -70.7 | -33.9 | -176.5 | -66.9 | 0 | 0 | 0 | 0 | 112.5 | F628 T666 E667 L672 A673 T674 | F628-S670 VanDerWaalsContact CD2-CB 3.4Å; F628-S670 VanDerWaalsContact CE2-CB 3.47Å; T666-S670 VanDerWaalsContact O-CB 3.25Å; T666-S670 WeakPolarHBondContact O-CB 3.31Å; T666-S670 PolarHBondContact O-N 3.1Å; T666-S670 PolarHBondContact O-OG 3.37Å; T666-S670 VanDerWaalsContact O-OG 3.06Å; E667-S670 PolarHBondContact O-N 3.03Å; S670-L672 PolarHBondContact O-N 3.4Å; S670-A673 PolarHBondContact O-N 3.26Å; S670-T674 VanDerWaalsContact O-CB 3.28Å; S670-T674 WeakPolarHBondContact O-CB 3.44Å; S670-T674 PolarHBondContact O-N 3.09Å; S670-T674 PolarHBondContact O-OG1 3.38Å |
| 671 | A | 74.5 | Confident | 73.7 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C621 F628 V646 L657 E667 T674 A675 | C621-A671 HydrophobicContact CB-CB 4.08Å; F628-A671 HydrophobicContact CE2-CB 4.38Å; F628-A671 HydrophobicContact CZ-CB 4.16Å; V646-A671 HydrophobicContact CB-CB 3.89Å; V646-A671 HydrophobicContact CG1-CB 3.39Å; V646-A671 HydrophobicContact CG2-CB 4.27Å; L657-A671 HydrophobicContact CD2-CB 4.21Å; E667-A671 WeakPolarHBondContact O-CB 3.24Å; E667-A671 PolarHBondContact O-N 3.24Å; A671-T674 PolarHBondContact O-N 3.47Å; A671-A675 WeakPolarHBondContact O-CB 3.29Å; A671-A675 PolarHBondContact O-N 3.03Å |
| 672 | L | 80.5 | Confident | 72.5 | Confident | 65 Ų | 65 | 61.7 Ų | 61.7 | 34% | 0.34 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.5 | -48.6 | 175 | -176.4 | 62.6 | 0 | 0 | 0 | 112 | L657 S670 T674 A675 Q676 I692 I694 | L657-L672 HydrophobicContact CD1-CB 4.24Å; L657-L672 HydrophobicContact CD1-CD1 3.97Å; S670-L672 PolarHBondContact O-N 3.4Å; L672-T674 PolarHBondContact O-N 2.87Å; L672-A675 PolarHBondContact O-N 2.8Å; L672-Q676 WeakPolarHBondContact O-CG 3.43Å; L672-Q676 PolarHBondContact O-N 3.09Å; L672-Q676 VanDerWaalsContact O-N 3.14Å; L672-I692 HydrophobicContact CD1-CG2 4.17Å; L672-I694 HydrophobicContact CD1-CD1 4.37Å |
| 673 | A | 75.9 | Confident | 71.1 | Confident | 54 Ų | 54 | 58.8 Ų | 58.8 | 45% | 0.446 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -60.8 | -35.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | K669 S670 Q676 Q677 | K669-A673 PolarHBondContact O-N 3.22Å; S670-A673 PolarHBondContact O-N 3.26Å; A673-Q676 PolarHBondContact O-N 3.48Å; A673-Q677 WeakPolarHBondContact O-CB 3.34Å; A673-Q677 PolarHBondContact O-N 3.42Å |
| 674 | T | 76.6 | Confident | 69.8 | Low | 41 Ų | 41 | 62 Ų | 62 | 25% | 0.252 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -73.3 | -37.3 | 179.5 | -56.1 | 0 | 0 | 0 | 0 | 112.3 | F628 V630 S670 A671 L672 Q676 Q677 Y678 | F628-T674 HydrophobicContact CE1-CG2 4.17Å; F628-T674 WeakPolarHBondContact CE1-OG1 3.15Å; V630-T674 HydrophobicContact CG2-CG2 3.67Å; S670-T674 VanDerWaalsContact O-CB 3.28Å; S670-T674 WeakPolarHBondContact O-CB 3.44Å; S670-T674 PolarHBondContact O-N 3.09Å; S670-T674 PolarHBondContact O-OG1 3.38Å; A671-T674 PolarHBondContact O-N 3.47Å; L672-T674 PolarHBondContact O-N 2.87Å; T674-Q676 VanDerWaalsContact C-N 3.33Å; T674-Q676 PolarHBondContact O-N 3.07Å; T674-Q677 PolarHBondContact O-N 2.85Å; T674-Y678 WeakPolarHBondContact O-CA 3.38Å; T674-Y678 WeakPolarHBondContact O-CB 3.5Å; T674-Y678 PolarHBondContact O-N 3.22Å |
| 675 | A | 76.5 | Confident | 68.8 | Low | 0 Ų | 0 | 62.5 Ų | 62.5 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.5 | -40.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L648 V655 L657 A671 L672 Y678 L679 I692 | L648-A675 HydrophobicContact CD1-CB 3.85Å; V655-A675 HydrophobicContact CG1-CB 4.29Å; L657-A675 HydrophobicContact CD1-CB 3.98Å; L657-A675 HydrophobicContact CD2-CB 4.15Å; L657-A675 HydrophobicContact CG-CB 4.24Å; A671-A675 WeakPolarHBondContact O-CB 3.29Å; A671-A675 PolarHBondContact O-N 3.03Å; L672-A675 PolarHBondContact O-N 2.8Å; A675-Y678 WeakPolarHBondContact O-CB 3.5Å; A675-Y678 PolarHBondContact O-N 3.37Å; A675-L679 WeakPolarHBondContact O-CG 3.38Å; A675-L679 PolarHBondContact O-N 3Å; A675-L679 VanDerWaalsContact O-N 3.11Å; A675-I692 HydrophobicContact CB-CD1 3.78Å; A675-I692 HydrophobicContact CB-CG1 4.29Å; A675-I692 HydrophobicContact CB-CG2 4.2Å |
| 676 | Q | 76.9 | Confident | 68.3 | Low | 106 Ų | 106 | 59.3 Ų | 59.3 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.2 | -46.3 | 173.6 | -68.6 | 175.7 | -31.4 | 0 | 0 | 111.7 | L672 A673 T674 Y678 L679 L680 I692 | L672-Q676 WeakPolarHBondContact O-CG 3.43Å; L672-Q676 PolarHBondContact O-N 3.09Å; L672-Q676 VanDerWaalsContact O-N 3.14Å; A673-Q676 PolarHBondContact O-N 3.48Å; T674-Q676 VanDerWaalsContact C-N 3.33Å; T674-Q676 PolarHBondContact O-N 3.07Å; Q676-Y678 VanDerWaalsContact C-N 3.28Å; Q676-Y678 PolarHBondContact O-N 3.32Å; Q676-L679 PolarHBondContact O-N 2.94Å; Q676-L680 WeakPolarHBondContact O-CG 3.45Å; Q676-L680 PolarHBondContact O-N 3.02Å; Q676-L680 VanDerWaalsContact O-N 3.08Å; Q676-I692 HydrophobicContact CG-CD1 3.66Å |
| 677 | Q | 71 | Confident | 68.2 | Low | 106 Ų | 106 | 59.9 Ų | 59.9 | 50% | 0.495 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -64.1 | -36.4 | 176.7 | -170.5 | 64.1 | 24.9 | 0 | 0 | 111.7 | A673 T674 L680 T681 | A673-Q677 WeakPolarHBondContact O-CB 3.34Å; A673-Q677 PolarHBondContact O-N 3.42Å; T674-Q677 PolarHBondContact O-N 2.85Å; Q677-L680 PolarHBondContact O-N 3.16Å; Q677-T681 HydrophobicContact CG-CG2 4.22Å; Q677-T681 WeakPolarHBondContact O-CB 3.46Å; Q677-T681 WeakPolarHBondContact O-CG2 3.24Å; Q677-T681 PolarHBondContact O-N 3.45Å; Q677-T681 PolarHBondContact O-OG1 3.48Å |
| 678 | Y | 73.2 | Confident | 68.2 | Low | 38 Ų | 38 | 63.4 Ų | 63.4 | 15% | 0.149 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -60.3 | -46.5 | 177.6 | 173 | -93.5 | 0 | 0 | 0 | 110.8 | F619 D650 T674 A675 Q676 T681 H682 | F619-Y678 HydrophobicContact CE2-CE2 4.25Å; F619-Y678 HydrophobicContact CZ-CE2 4.1Å; D650-Y678 HydrophobicContact CB-CE1 4.08Å; D650-Y678 WeakPolarHBondContact OD2-CE1 3.32Å; D650-Y678 PolarHBondContact OD2-OH 2.65Å; T674-Y678 WeakPolarHBondContact O-CA 3.38Å; T674-Y678 WeakPolarHBondContact O-CB 3.5Å; T674-Y678 PolarHBondContact O-N 3.22Å; A675-Y678 WeakPolarHBondContact O-CB 3.5Å; A675-Y678 PolarHBondContact O-N 3.37Å; Q676-Y678 VanDerWaalsContact C-N 3.28Å; Q676-Y678 PolarHBondContact O-N 3.32Å; Y678-T681 PolarHBondContact O-N 3.08Å; Y678-H682 AromaticContact CE1-CD2 3.92Å; Y678-H682 AromaticContact CZ-CD2 3.71Å; Y678-H682 WeakPolarHBondContact O-CA 3.46Å; Y678-H682 WeakPolarHBondContact O-CB 3.44Å; Y678-H682 PolarHBondContact O-N 3.27Å |
| 679 | L | 64.9 | Low | 68.2 | Low | 1 Ų | 1 | 66.1 Ų | 66.1 | 1% | 0.005 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.2 | -49.1 | 174.5 | -69.2 | 171.5 | 0 | 0 | 0 | 111.5 | V655 A675 Q676 T681 H682 R686 T690 I692 | V655-L679 HydrophobicContact CG2-CD2 3.86Å; V655-L679 HydrophobicContact CG2-CG 4.31Å; A675-L679 WeakPolarHBondContact O-CG 3.38Å; A675-L679 PolarHBondContact O-N 3Å; A675-L679 VanDerWaalsContact O-N 3.11Å; Q676-L679 PolarHBondContact O-N 2.94Å; L679-T681 VanDerWaalsContact C-N 3.28Å; L679-T681 PolarHBondContact O-N 3.12Å; L679-H682 PolarHBondContact O-N 2.77Å; L679-R686 HydrophobicContact CD2-CB 4.14Å; L679-T690 HydrophobicContact CD1-CG2 4.46Å; L679-T690 WeakPolarHBondContact CD1-O 3.37Å; L679-T690 HydrophobicContact CD2-CG2 3.94Å; L679-I692 HydrophobicContact CD1-CD1 4.04Å; L679-I692 HydrophobicContact CD1-CG1 4.01Å |
| 680 | L | 65 | Low | 68.3 | Low | 107 Ų | 107 | 58.8 Ų | 58.8 | 56% | 0.56 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -60.7 | -34.8 | -179.6 | -73 | 167.1 | 0 | 0 | 0 | 113.6 | Q676 Q677 P688 | Q676-L680 WeakPolarHBondContact O-CG 3.45Å; Q676-L680 PolarHBondContact O-N 3.02Å; Q676-L680 VanDerWaalsContact O-N 3.08Å; Q677-L680 PolarHBondContact O-N 3.16Å; L680-P688 HydrophobicContact CD2-CB 3.74Å; L680-P688 HydrophobicContact CD2-CG 3.74Å; L680-P688 HydrophobicContact CG-CB 4.45Å |
| 681 | T | 54.3 | Low | 68.8 | Low | 86 Ų | 86 | 60.4 Ų | 60.4 | 53% | 0.528 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -102.4 | 3.5 | -176.2 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | Q677 Y678 L679 P683 | Q677-T681 HydrophobicContact CG-CG2 4.22Å; Q677-T681 WeakPolarHBondContact O-CB 3.46Å; Q677-T681 WeakPolarHBondContact O-CG2 3.24Å; Q677-T681 PolarHBondContact O-N 3.45Å; Q677-T681 PolarHBondContact O-OG1 3.48Å; Y678-T681 PolarHBondContact O-N 3.08Å; L679-T681 VanDerWaalsContact C-N 3.28Å; L679-T681 PolarHBondContact O-N 3.12Å; T681-P683 WeakPolarHBondContact O-CD 3.18Å |
| 682 | H | 53.4 | Low | 69.4 | Low | 20 Ų | 20 | 62.6 Ų | 62.6 | 9% | 0.093 | 37% | 0.369 | C | S | . | . | trans | -60.5 | 127.3 | -177.3 | -167 | -84.3 | 0 | 0 | 0 | 109.9 | W652 Y678 L679 S684 G685 R686 | W652-H682 AromaticContact CZ3-CE1 3.75Å; Y678-H682 AromaticContact CE1-CD2 3.92Å; Y678-H682 AromaticContact CZ-CD2 3.71Å; Y678-H682 WeakPolarHBondContact O-CA 3.46Å; Y678-H682 WeakPolarHBondContact O-CB 3.44Å; Y678-H682 PolarHBondContact O-N 3.27Å; L679-H682 PolarHBondContact O-N 2.77Å; H682-S684 PolarHBondContact CE1-OG 3.09Å; H682-S684 WeakPolarHBondContact ND1-CB 3.42Å; H682-S684 PolarHBondContact ND1-N 3.29Å; H682-S684 PolarHBondContact O-N 3.29Å; H682-G685 PolarHBondContact O-N 3.02Å; H682-R686 HydrophobicContact CB-CB 3.79Å; H682-R686 HydrophobicContact CB-CG 3.4Å; H682-R686 VanDerWaalsContact CB-CG 3.4Å; H682-R686 WeakPolarHBondContact ND1-CG 3.5Å | ||
| 683 | P | 45.7 | Very low | 69.6 | Low | 94 Ų | 94 | 62 Ų | 62 | 61% | 0.61 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.9 | -173.2 | -29.3 | 36.8 | 0 | 0 | 0 | 115.4 | T681 G685 | T681-P683 WeakPolarHBondContact O-CD 3.18Å; P683-G685 VanDerWaalsContact C-N 3.28Å |
| 684 | S | 48.6 | Very low | 70.3 | Confident | 75 Ų | 75 | 64.3 Ų | 64.3 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 4.1 | 176.2 | -46.3 | 0 | 0 | 0 | 0 | 113.9 | H682 | H682-S684 PolarHBondContact CE1-OG 3.09Å; H682-S684 WeakPolarHBondContact ND1-CB 3.42Å; H682-S684 PolarHBondContact ND1-N 3.29Å; H682-S684 PolarHBondContact O-N 3.29Å |
| 685 | G | 55.3 | Low | 70.8 | Confident | 65 Ų | 65 | 62.7 Ų | 62.7 | 67% | 0.67 | 36% | 0.36 | S | S | * | . | trans | 64.8 | 58.7 | -177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | H682 P683 | H682-G685 PolarHBondContact O-N 3.02Å; P683-G685 VanDerWaalsContact C-N 3.28Å | ||
| 686 | R | 65.1 | Low | 71.2 | Confident | 14 Ų | 14 | 69.4 Ų | 69.4 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | trans | -63.6 | 149.3 | 179 | -72 | -78.5 | -76.2 | -79.6 | -4.9 | 110.4 | D650 W652 L679 H682 P688 | D650-R686 VanDerWaalsContact CG-NH1 3.35Å; D650-R686 IonicContact OD1-CZ 2.67Å; D650-R686 IonicContact OD1-NH1 3.99Å; D650-R686 PolarHBondContact OD1-NH1 2.82Å; D650-R686 VanDerWaalsContact OD1-NH1 3.17Å; D650-R686 IonicContact OD1-NH2 3.5Å; D650-R686 PolarHBondContact OD1-NH2 3.39Å; D650-R686 IonicContact OD2-CZ 3.5Å; D650-R686 IonicContact OD2-NH1 3.69Å; D650-R686 PolarHBondContact OD2-NH1 3.06Å; D650-R686 IonicContact OD2-NH2 2.65Å; W652-R686 VanDerWaalsContact C-NH2 3.34Å; W652-R686 VanDerWaalsContact CA-NH2 3.34Å; W652-R686 VanDerWaalsContact CE3-NH1 3.33Å; W652-R686 HydrophobicContact CZ3-CG 4.41Å; W652-R686 PolarHBondContact O-NE 3.45Å; W652-R686 PolarHBondContact O-NH2 3.45Å; L679-R686 HydrophobicContact CD2-CB 4.14Å; H682-R686 HydrophobicContact CB-CB 3.79Å; H682-R686 HydrophobicContact CB-CG 3.4Å; H682-R686 VanDerWaalsContact CB-CG 3.4Å; H682-R686 WeakPolarHBondContact ND1-CG 3.5Å; R686-P688 VanDerWaalsContact O-CD 3.29Å; R686-P688 WeakPolarHBondContact O-CD 3.31Å | ||
| 687 | D | 71.3 | Confident | 71.7 | Confident | 94 Ų | 94 | 66 Ų | 66 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | trans | -64 | 119.8 | 171.9 | -169.5 | -18 | 0 | 0 | 0 | 109.1 | D689 T690 | D687-D689 PolarHBondContact O-N 2.88Å; D687-D689 WeakPolarHBondContact OD1-CB 3.48Å; D687-D689 PolarHBondContact OD1-N 2.73Å; D687-T690 VanDerWaalsContact O-CB 3.25Å; D687-T690 WeakPolarHBondContact O-CB 3.38Å; D687-T690 PolarHBondContact O-N 3.38Å; D687-T690 PolarHBondContact O-OG1 3.4Å | ||
| 688 | P | 74.3 | Confident | 72 | Confident | 75 Ų | 75 | 63 Ų | 63 | 49% | 0.487 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60 | -22.4 | 175.8 | -23.5 | 36.1 | 0 | 0 | 0 | 113.6 | L680 R686 T690 | L680-P688 HydrophobicContact CD2-CB 3.74Å; L680-P688 HydrophobicContact CD2-CG 3.74Å; L680-P688 HydrophobicContact CG-CB 4.45Å; R686-P688 VanDerWaalsContact O-CD 3.29Å; R686-P688 WeakPolarHBondContact O-CD 3.31Å; P688-T690 PolarHBondContact O-N 2.6Å |
| 689 | D | 79.2 | Confident | 72.2 | Confident | 142 Ų | 142 | 69.1 Ų | 69.1 | 76% | 0.759 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 4.7 | 177.2 | -65 | -32.7 | 0 | 0 | 0 | 112.7 | D687 | D687-D689 PolarHBondContact O-N 2.88Å; D687-D689 WeakPolarHBondContact OD1-CB 3.48Å; D687-D689 PolarHBondContact OD1-N 2.73Å |
| 690 | T | 79.6 | Confident | 73.3 | Confident | 17 Ų | 17 | 70.4 Ų | 70.4 | 10% | 0.104 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -53 | 125.8 | 171.2 | -59.6 | 0 | 0 | 0 | 0 | 109.3 | D653 L679 D687 P688 I692 | D653-T690 WeakPolarHBondContact O-CG2 3.41Å; L679-T690 HydrophobicContact CD1-CG2 4.46Å; L679-T690 WeakPolarHBondContact CD1-O 3.37Å; L679-T690 HydrophobicContact CD2-CG2 3.94Å; D687-T690 VanDerWaalsContact O-CB 3.25Å; D687-T690 WeakPolarHBondContact O-CB 3.38Å; D687-T690 PolarHBondContact O-N 3.38Å; D687-T690 PolarHBondContact O-OG1 3.4Å; P688-T690 PolarHBondContact O-N 2.6Å; T690-I692 PolarHBondContact O-N 3.38Å |
| 691 | P | 83.2 | Confident | 74 | Confident | 69 Ų | 69 | 67.3 Ų | 67.3 | 45% | 0.448 | 39% | 0.39 | S | S | . | . | trans | -64.5 | 134.4 | -173.3 | 23.7 | -33.1 | 0 | 0 | 0 | 112 | D653 Q654 V655 L693 | D653-P691 WeakPolarHBondContact O-CD 3.39Å; Q654-P691 WeakPolarHBondContact CA-O 3.27Å; Q654-P691 HydrophobicContact CB-CG 3.87Å; V655-P691 PolarHBondContact N-O 3.15Å; P691-L693 HydrophobicContact CB-CD1 4.27Å | ||
| 692 | I | 86.6 | Confident | 75.1 | Confident | 45 Ų | 45 | 65 Ų | 65 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 113.5 | 171.8 | -59.5 | 164.7 | 0 | 0 | 0 | 108.7 | V655 L657 L672 A675 Q676 L679 T690 | V655-I692 HydrophobicContact CB-CG1 4.26Å; V655-I692 CarbonylContact O-C 3.52Å; V655-I692 WeakPolarHBondContact O-CA 3.38Å; L657-I692 HydrophobicContact CD1-CG2 3.72Å; L657-I692 HydrophobicContact CG-CG2 3.94Å; L672-I692 HydrophobicContact CD1-CG2 4.17Å; A675-I692 HydrophobicContact CB-CD1 3.78Å; A675-I692 HydrophobicContact CB-CG1 4.29Å; A675-I692 HydrophobicContact CB-CG2 4.2Å; Q676-I692 HydrophobicContact CG-CD1 3.66Å; L679-I692 HydrophobicContact CD1-CD1 4.04Å; L679-I692 HydrophobicContact CD1-CG1 4.01Å; T690-I692 PolarHBondContact O-N 3.38Å |
| 693 | L | 85.3 | Confident | 76.3 | Confident | 53 Ų | 53 | 66.2 Ų | 66.2 | 28% | 0.277 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 124 | 179.9 | -65.9 | 93.3 | 0 | 0 | 0 | 110.3 | Q654 V655 F656 L657 P691 I703 | Q654-L693 HydrophobicContact CB-CD1 3.7Å; Q654-L693 HydrophobicContact CG-CD1 4.1Å; V655-L693 PolarHBondContact O-N 2.9Å; F656-L693 CarbonylContact C-O 3.51Å; F656-L693 WeakPolarHBondContact CA-O 3.18Å; F656-L693 HydrophobicContact CD1-CB 3.73Å; F656-L693 HydrophobicContact CD1-CD1 4.36Å; F656-L693 HydrophobicContact CD1-CG 4.46Å; F656-L693 HydrophobicContact CE1-CB 4.09Å; F656-L693 HydrophobicContact CE1-CD1 4.21Å; F656-L693 HydrophobicContact CE1-CD2 4.14Å; F656-L693 HydrophobicContact CE1-CG 4.38Å; L657-L693 PolarHBondContact N-O 2.81Å; P691-L693 HydrophobicContact CB-CD1 4.27Å; L693-I703 HydrophobicContact CD2-CD1 3.8Å |
| 694 | I | 89.4 | Confident | 78.1 | Confident | 102 Ų | 102 | 61.7 Ų | 61.7 | 52% | 0.523 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 121.9 | 176.5 | -57.9 | 173.8 | 0 | 0 | 0 | 108.9 | L657 I659 L672 | L657-I694 HydrophobicContact CB-CG1 4.4Å; L657-I694 WeakPolarHBondContact O-CA 3.38Å; I659-I694 HydrophobicContact CD1-CG2 4.3Å; I659-I694 HydrophobicContact CG1-CG2 3.71Å; L672-I694 HydrophobicContact CD1-CD1 4.37Å |
| 695 | I | 88.4 | Confident | 79.9 | Confident | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.041 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 143.4 | -178.6 | -62.3 | 170.8 | 0 | 0 | 0 | 108.5 | F656 L657 W658 I659 E700 P701 F704 | F656-I695 HydrophobicContact CB-CD1 4.15Å; F656-I695 HydrophobicContact CD1-CD1 3.28Å; F656-I695 HydrophobicContact CD1-CG1 4.25Å; F656-I695 HydrophobicContact CE1-CD1 3.84Å; F656-I695 HydrophobicContact CG-CD1 4.02Å; L657-I695 PolarHBondContact O-N 2.63Å; W658-I695 CarbonylContact C-O 3.53Å; W658-I695 WeakPolarHBondContact CA-O 3.46Å; I659-I695 WeakPolarHBondContact CB-O 3.39Å; I659-I695 WeakPolarHBondContact CG1-O 3.09Å; I659-I695 PolarHBondContact N-O 2.87Å; I695-E700 HydrophobicContact CG2-CB 4.19Å; I695-E700 HydrophobicContact CG2-CG 3.83Å; I695-P701 HydrophobicContact CD1-CG 4.03Å; I695-P701 HydrophobicContact CG1-CG 4.35Å; I695-F704 HydrophobicContact CD1-CB 3.43Å; I695-F704 VanDerWaalsContact CD1-CB 3.43Å; I695-F704 HydrophobicContact CD1-CD1 4.32Å; I695-F704 HydrophobicContact CD1-CD2 3.39Å; I695-F704 HydrophobicContact CD1-CE2 4.18Å; I695-F704 HydrophobicContact CD1-CG 3.45Å; I695-F704 VanDerWaalsContact CD1-CG 3.45Å |
| 696 | K | 85.5 | Confident | 81.1 | Confident | 141 Ų | 141 | 56.3 Ų | 56.3 | 61% | 0.613 | 31% | 0.307 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 143.8 | 175.7 | -64.6 | -179.3 | -178.2 | 176.2 | 0 | 109.7 | G698 F699 | K696-G698 PolarHBondContact O-N 2.82Å; K696-F699 HydrophobicContact CB-CD2 4.4Å; K696-F699 PolarHBondContact O-N 2.81Å |
| 697 | Q | 85.5 | Confident | 81.9 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 15% | 0.154 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 130.6 | 172.1 | 178.8 | 176 | -17.3 | 0 | 0 | 111.5 | W658 I659 A661 F699 E700 W716 | W658-Q697 HydrophobicContact CH2-CB 4.03Å; W658-Q697 HydrophobicContact CH2-CG 4.12Å; W658-Q697 HydrophobicContact CZ2-CB 3.52Å; W658-Q697 HydrophobicContact CZ2-CG 3.63Å; I659-Q697 PolarHBondContact O-N 3.46Å; A661-Q697 HydrophobicContact CB-CB 4.49Å; Q697-F699 VanDerWaalsContact C-N 3.29Å; Q697-F699 WeakPolarHBondContact O-CD2 3.46Å; Q697-F699 PolarHBondContact O-N 2.96Å; Q697-E700 VanDerWaalsContact CA-OE1 3.25Å; Q697-E700 WeakPolarHBondContact CA-OE1 3.34Å; Q697-W716 HydrophobicContact CG-CD2 3.96Å; Q697-W716 HydrophobicContact CG-CG 3.81Å; Q697-W716 VanDerWaalsContact NE2-CG 3.33Å |
| 698 | G | 78 | Confident | 82.5 | Confident | 43 Ų | 43 | 52.8 Ų | 52.8 | 44% | 0.443 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 80.2 | 2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | K696 E700 | K696-G698 PolarHBondContact O-N 2.82Å; G698-E700 VanDerWaalsContact C-OE2 3.26Å; G698-E700 VanDerWaalsContact CA-OE2 3.26Å; G698-E700 WeakPolarHBondContact CA-OE2 3.44Å; G698-E700 VanDerWaalsContact N-CD 3.31Å; G698-E700 PolarHBondContact N-OE1 2.93Å; G698-E700 PolarHBondContact N-OE2 3.02Å; G698-E700 VanDerWaalsContact N-OE2 3.09Å |
| 699 | F | 78.8 | Confident | 82.9 | Confident | 168 Ų | 168 | 52.1 Ų | 52.1 | 74% | 0.737 | 28% | 0.279 | S | S | * | . | trans | -131.2 | 33.1 | 178.2 | -62.2 | -86.5 | 0 | 0 | 0 | 111.6 | K696 Q697 | K696-F699 HydrophobicContact CB-CD2 4.4Å; K696-F699 PolarHBondContact O-N 2.81Å; Q697-F699 VanDerWaalsContact C-N 3.29Å; Q697-F699 WeakPolarHBondContact O-CD2 3.46Å; Q697-F699 PolarHBondContact O-N 2.96Å | ||
| 700 | E | 87.1 | Confident | 83 | Confident | 27 Ų | 27 | 46 Ų | 46 | 13% | 0.126 | 25% | 0.248 | C | C | . | . | trans | -71.8 | 124.7 | -177.4 | -60.5 | 81.9 | 179.9 | 0 | 0 | 111.3 | W658 I695 Q697 G698 F704 T705 W711 W716 | W658-E700 PolarHBondContact NE1-OE1 3.28Å; I695-E700 HydrophobicContact CG2-CB 4.19Å; I695-E700 HydrophobicContact CG2-CG 3.83Å; Q697-E700 VanDerWaalsContact CA-OE1 3.25Å; Q697-E700 WeakPolarHBondContact CA-OE1 3.34Å; G698-E700 VanDerWaalsContact C-OE2 3.26Å; G698-E700 VanDerWaalsContact CA-OE2 3.26Å; G698-E700 WeakPolarHBondContact CA-OE2 3.44Å; G698-E700 VanDerWaalsContact N-CD 3.31Å; G698-E700 PolarHBondContact N-OE1 2.93Å; G698-E700 PolarHBondContact N-OE2 3.02Å; G698-E700 VanDerWaalsContact N-OE2 3.09Å; E700-F704 HydrophobicContact CB-CD1 3.87Å; E700-F704 HydrophobicContact CB-CE1 4.45Å; E700-F704 HydrophobicContact CG-CD1 3.86Å; E700-F704 HydrophobicContact CG-CE1 3.94Å; E700-T705 HydrophobicContact CB-CG2 3.56Å; E700-W711 HydrophobicContact CB-CZ2 3.84Å; E700-W711 HydrophobicContact CG-CH2 4.13Å; E700-W711 HydrophobicContact CG-CZ2 3.67Å; E700-W716 HydrophobicContact CG-CH2 4.26Å; E700-W716 WeakPolarHBondContact OE1-CH2 3.35Å; E700-W716 WeakPolarHBondContact OE1-CZ2 3.26Å; E700-W716 WeakPolarHBondContact OE2-CH2 3.23Å; E700-W716 VanDerWaalsContact OE2-CZ3 3.22Å; E700-W716 WeakPolarHBondContact OE2-CZ3 3.41Å | ||
| 701 | P | 80.1 | Confident | 83.1 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 27% | 0.273 | 25% | 0.249 | S | C | . | . | trans | -79 | 158.6 | 178 | 33.6 | -36.2 | 0 | 0 | 0 | 111.4 | I695 I703 F704 T705 | I695-P701 HydrophobicContact CD1-CG 4.03Å; I695-P701 HydrophobicContact CG1-CG 4.35Å; P701-I703 HydrophobicContact CB-CG1 3.99Å; P701-I703 HydrophobicContact CG-CD1 4.3Å; P701-I703 HydrophobicContact CG-CG1 3.7Å; P701-I703 PolarHBondContact O-N 2.83Å; P701-I703 VanDerWaalsContact O-N 3.09Å; P701-F704 HydrophobicContact CG-CB 4.19Å; P701-F704 WeakPolarHBondContact O-CB 3.41Å; P701-F704 PolarHBondContact O-N 2.94Å; P701-T705 PolarHBondContact O-N 3.22Å; P701-T705 VanDerWaalsContact O-N 3.12Å | ||
| 702 | P | 76.7 | Confident | 82.8 | Confident | 37 Ų | 37 | 44.1 Ų | 44.1 | 24% | 0.24 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -54.2 | -34.1 | 179.4 | -28.6 | 35.3 | 0 | 0 | 0 | 114.7 | A602 F704 T705 G706 | A602-P702 VanDerWaalsContact CB-O 3.25Å; A602-P702 WeakPolarHBondContact CB-O 3.15Å; P702-F704 PolarHBondContact O-N 3.13Å; P702-F704 VanDerWaalsContact O-N 3.11Å; P702-T705 WeakPolarHBondContact CA-OG1 3.29Å; P702-T705 PolarHBondContact O-N 2.65Å; P702-T705 PolarHBondContact O-OG1 3.39Å; P702-G706 PolarHBondContact O-N 3.38Å |
| 703 | I | 78.3 | Confident | 82.2 | Confident | 46 Ų | 46 | 45 Ų | 45 | 24% | 0.236 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.8 | -17.5 | 176.9 | 65.1 | 171.6 | 0 | 0 | 0 | 113.8 | D604 F656 L693 P701 W707 | D604-I703 WeakPolarHBondContact OD2-CB 3.4Å; D604-I703 WeakPolarHBondContact OD2-CG2 3.35Å; F656-I703 HydrophobicContact CE1-CD1 3.97Å; F656-I703 HydrophobicContact CE1-CG1 3.99Å; F656-I703 HydrophobicContact CZ-CB 4.4Å; F656-I703 HydrophobicContact CZ-CD1 4.26Å; F656-I703 HydrophobicContact CZ-CG1 4.06Å; F656-I703 VanDerWaalsContact CZ-O 3.26Å; F656-I703 WeakPolarHBondContact CZ-O 3.23Å; L693-I703 HydrophobicContact CD2-CD1 3.8Å; P701-I703 HydrophobicContact CB-CG1 3.99Å; P701-I703 HydrophobicContact CG-CD1 4.3Å; P701-I703 HydrophobicContact CG-CG1 3.7Å; P701-I703 PolarHBondContact O-N 2.83Å; P701-I703 VanDerWaalsContact O-N 3.09Å; I703-W707 PolarHBondContact O-NE1 3.15Å |
| 704 | F | 84.8 | Confident | 81.6 | Confident | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -101.4 | -49 | 174.6 | 177.2 | -94.4 | 0 | 0 | 0 | 111.6 | L641 L649 F656 W658 I695 E700 P701 P702 G706 W707 F708 W711 | L641-F704 HydrophobicContact CD1-CE1 4.14Å; L641-F704 HydrophobicContact CD1-CZ 4.36Å; L641-F704 HydrophobicContact CD2-CZ 4.37Å; L649-F704 HydrophobicContact CB-CE2 4.12Å; L649-F704 HydrophobicContact CD2-CD2 3.84Å; L649-F704 HydrophobicContact CD2-CE2 3.7Å; F656-F704 HydrophobicContact CB-CD2 3.72Å; F656-F704 HydrophobicContact CB-CE2 3.9Å; F656-F704 HydrophobicContact CD1-CB 4.43Å; F656-F704 HydrophobicContact CD1-CD2 4.01Å; F656-F704 HydrophobicContact CD2-CD2 4Å; F656-F704 HydrophobicContact CE1-CB 4.22Å; F656-F704 AromaticContact CG-CD2 3.67Å; F656-F704 HydrophobicContact CG-CD2 3.67Å; F656-F704 HydrophobicContact CG-CE2 4.33Å; F656-F704 HydrophobicContact CZ-CB 4.38Å; W658-F704 HydrophobicContact CB-CE2 4.08Å; W658-F704 HydrophobicContact CB-CZ 3.76Å; W658-F704 AromaticContact CD1-CE1 3.64Å; W658-F704 AromaticContact CD1-CZ 3.63Å; W658-F704 HydrophobicContact CG-CE1 4.34Å; W658-F704 AromaticContact CG-CZ 3.89Å; W658-F704 HydrophobicContact CG-CZ 3.89Å; I695-F704 HydrophobicContact CD1-CB 3.43Å; I695-F704 VanDerWaalsContact CD1-CB 3.43Å; I695-F704 HydrophobicContact CD1-CD1 4.32Å; I695-F704 HydrophobicContact CD1-CD2 3.39Å; I695-F704 HydrophobicContact CD1-CE2 4.18Å; I695-F704 HydrophobicContact CD1-CG 3.45Å; I695-F704 VanDerWaalsContact CD1-CG 3.45Å; E700-F704 HydrophobicContact CB-CD1 3.87Å; E700-F704 HydrophobicContact CB-CE1 4.45Å; E700-F704 HydrophobicContact CG-CD1 3.86Å; E700-F704 HydrophobicContact CG-CE1 3.94Å; P701-F704 HydrophobicContact CG-CB 4.19Å; P701-F704 WeakPolarHBondContact O-CB 3.41Å; P701-F704 PolarHBondContact O-N 2.94Å; P702-F704 PolarHBondContact O-N 3.13Å; P702-F704 VanDerWaalsContact O-N 3.11Å; F704-G706 PolarHBondContact O-N 3.37Å; F704-W707 PolarHBondContact O-N 2.86Å; F704-W707 VanDerWaalsContact O-N 3.13Å; F704-F708 AromaticContact CD1-CE2 3.98Å; F704-F708 HydrophobicContact CD1-CE2 3.98Å; F704-F708 HydrophobicContact CE1-CD2 4.37Å; F704-F708 AromaticContact CE1-CE2 3.5Å; F704-F708 HydrophobicContact CE1-CE2 3.5Å; F704-F708 VanDerWaalsContact CE1-CE2 3.5Å; F704-F708 HydrophobicContact CE1-CZ 4.02Å; F704-F708 HydrophobicContact CE2-CE2 4.17Å; F704-F708 HydrophobicContact CE2-CZ 4.49Å; F704-F708 AromaticContact CZ-CE2 3.61Å; F704-F708 HydrophobicContact CZ-CE2 3.61Å; F704-F708 AromaticContact CZ-CZ 3.8Å; F704-F708 HydrophobicContact CZ-CZ 3.8Å; F704-F708 WeakPolarHBondContact O-CD2 3.32Å; F704-W711 HydrophobicContact CD1-CH2 4.22Å; F704-W711 AromaticContact CE1-CH2 3.78Å; F704-W711 HydrophobicContact CE1-CH2 3.78Å; F704-W711 HydrophobicContact CE1-CZ2 4.5Å; F704-W711 HydrophobicContact CE1-CZ3 4.4Å |
| 705 | T | 84.6 | Confident | 80.6 | Confident | 19 Ų | 19 | 44.1 Ų | 44.1 | 12% | 0.117 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63.7 | -28.4 | -175.4 | 64 | 0 | 0 | 0 | 0 | 112.3 | E700 P701 P702 W707 F708 W711 | E700-T705 HydrophobicContact CB-CG2 3.56Å; P701-T705 PolarHBondContact O-N 3.22Å; P701-T705 VanDerWaalsContact O-N 3.12Å; P702-T705 WeakPolarHBondContact CA-OG1 3.29Å; P702-T705 PolarHBondContact O-N 2.65Å; P702-T705 PolarHBondContact O-OG1 3.39Å; T705-W707 PolarHBondContact O-N 2.94Å; T705-W707 VanDerWaalsContact O-N 3.1Å; T705-F708 PolarHBondContact O-N 2.8Å; T705-W711 HydrophobicContact CG2-CD2 3.88Å; T705-W711 HydrophobicContact CG2-CG 4.12Å; T705-W711 HydrophobicContact CG2-CH2 4.39Å; T705-W711 HydrophobicContact CG2-CZ2 3.59Å |
| 706 | G | 80.8 | Confident | 79.6 | Confident | 8 Ų | 8 | 46.6 Ų | 46.6 | 8% | 0.082 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -6.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | N538 P702 F704 F708 | N538-G706 WeakPolarHBondContact ND2-CA 3.18Å; N538-G706 PolarHBondContact ND2-O 2.88Å; P702-G706 PolarHBondContact O-N 3.38Å; F704-G706 PolarHBondContact O-N 3.37Å; G706-F708 VanDerWaalsContact C-N 3.32Å |
| 707 | W | 82.9 | Confident | 78.4 | Confident | 30 Ų | 30 | 44.7 Ų | 44.7 | 11% | 0.114 | 25% | 0.249 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.5 | -5.1 | 171.9 | -65.5 | 99.3 | 0 | 0 | 0 | 113.2 | R606 L607 L612 F636 L649 T651 I703 F704 T705 | R606-W707 HydrophobicContact CB-CH2 4.39Å; R606-W707 HydrophobicContact CB-CZ2 4.44Å; R606-W707 HydrophobicContact CG-CH2 3.9Å; R606-W707 HydrophobicContact CG-CZ2 4.35Å; L607-W707 HydrophobicContact CD2-CD2 4.09Å; L607-W707 HydrophobicContact CD2-CE3 4.07Å; L607-W707 HydrophobicContact CD2-CH2 3.68Å; L607-W707 HydrophobicContact CD2-CZ2 3.71Å; L607-W707 HydrophobicContact CD2-CZ3 3.87Å; L607-W707 HydrophobicContact CG-CH2 4.31Å; L607-W707 HydrophobicContact CG-CZ2 4.03Å; L612-W707 HydrophobicContact CD1-CZ3 4.42Å; F636-W707 WeakPolarHBondContact CE2-O 3.26Å; L649-W707 HydrophobicContact CD2-CB 3.9Å; L649-W707 HydrophobicContact CD2-CG 4.05Å; T651-W707 HydrophobicContact CG2-CD2 3.87Å; T651-W707 HydrophobicContact CG2-CG 4.1Å; T651-W707 HydrophobicContact CG2-CZ2 3.98Å; I703-W707 PolarHBondContact O-NE1 3.15Å; F704-W707 PolarHBondContact O-N 2.86Å; F704-W707 VanDerWaalsContact O-N 3.13Å; T705-W707 PolarHBondContact O-N 2.94Å; T705-W707 VanDerWaalsContact O-N 3.1Å |
| 708 | F | 83.9 | Confident | 76.7 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.018 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -115.1 | 130 | -178.3 | -60 | -95.3 | 0 | 0 | 0 | 109.4 | F636 L641 L649 F704 T705 G706 A710 W711 | F636-F708 AromaticContact CD2-CD1 3.76Å; F636-F708 HydrophobicContact CD2-CD1 3.76Å; F636-F708 AromaticContact CD2-CE1 3.52Å; F636-F708 HydrophobicContact CD2-CE1 3.52Å; F636-F708 HydrophobicContact CD2-CZ 4.21Å; F636-F708 HydrophobicContact CE2-CD1 4.01Å; F636-F708 AromaticContact CE2-CE1 3.86Å; F636-F708 HydrophobicContact CE2-CE1 3.86Å; F636-F708 HydrophobicContact CE2-CG 4.5Å; F636-F708 HydrophobicContact CE2-CZ 4.18Å; L641-F708 HydrophobicContact CD1-CE1 4.18Å; L641-F708 HydrophobicContact CD1-CZ 4.06Å; L641-F708 HydrophobicContact CD2-CE1 4.19Å; L641-F708 HydrophobicContact CD2-CZ 3.98Å; L641-F708 HydrophobicContact CG-CE1 4.14Å; L641-F708 HydrophobicContact CG-CZ 4.27Å; L649-F708 HydrophobicContact CD2-CE2 4.11Å; L649-F708 HydrophobicContact CD2-CZ 4.42Å; F704-F708 AromaticContact CD1-CE2 3.98Å; F704-F708 HydrophobicContact CD1-CE2 3.98Å; F704-F708 HydrophobicContact CE1-CD2 4.37Å; F704-F708 AromaticContact CE1-CE2 3.5Å; F704-F708 HydrophobicContact CE1-CE2 3.5Å; F704-F708 VanDerWaalsContact CE1-CE2 3.5Å; F704-F708 HydrophobicContact CE1-CZ 4.02Å; F704-F708 HydrophobicContact CE2-CE2 4.17Å; F704-F708 HydrophobicContact CE2-CZ 4.49Å; F704-F708 AromaticContact CZ-CE2 3.61Å; F704-F708 HydrophobicContact CZ-CE2 3.61Å; F704-F708 AromaticContact CZ-CZ 3.8Å; F704-F708 HydrophobicContact CZ-CZ 3.8Å; F704-F708 WeakPolarHBondContact O-CD2 3.32Å; T705-F708 PolarHBondContact O-N 2.8Å; G706-F708 VanDerWaalsContact C-N 3.32Å; F708-A710 PolarHBondContact O-N 3.34Å; F708-W711 HydrophobicContact CB-CE3 3.51Å; F708-W711 HydrophobicContact CB-CZ3 3.91Å; F708-W711 HydrophobicContact CD1-CE3 4.39Å; F708-W711 AromaticContact CD1-CZ3 3.94Å; F708-W711 HydrophobicContact CD1-CZ3 3.94Å; F708-W711 AromaticContact CD2-CE3 3.84Å; F708-W711 HydrophobicContact CD2-CE3 3.84Å; F708-W711 HydrophobicContact CD2-CH2 4.33Å; F708-W711 AromaticContact CD2-CZ3 3.46Å; F708-W711 HydrophobicContact CD2-CZ3 3.46Å; F708-W711 VanDerWaalsContact CD2-CZ3 3.46Å; F708-W711 HydrophobicContact CE1-CZ3 4.32Å; F708-W711 HydrophobicContact CE2-CH2 4.47Å; F708-W711 AromaticContact CE2-CZ3 3.91Å; F708-W711 HydrophobicContact CE2-CZ3 3.91Å; F708-W711 AromaticContact CG-CE3 3.67Å; F708-W711 HydrophobicContact CG-CE3 3.67Å; F708-W711 AromaticContact CG-CZ3 3.49Å; F708-W711 HydrophobicContact CG-CZ3 3.49Å; F708-W711 VanDerWaalsContact CG-CZ3 3.49Å; F708-W711 HydrophobicContact CZ-CZ3 4.31Å |
| 709 | L | 81.4 | Confident | 75.3 | Confident | 60 Ų | 60 | 48 Ų | 48 | 31% | 0.314 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | 132.2 | 176 | -175.8 | 67.4 | 0 | 0 | 0 | 110.2 | Q516 H518 | Q516-L709 HydrophobicContact CG-CD1 4.17Å; H518-L709 HydrophobicContact CB-CD1 3.61Å; H518-L709 HydrophobicContact CB-CD2 4.36Å |
| 710 | A | 81.1 | Confident | 73.9 | Confident | 15 Ų | 15 | 44.3 Ų | 44.3 | 12% | 0.124 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 57.2 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q516 V528 V530 F708 D712 | Q516-A710 VanDerWaalsContact OE1-CA 3.3Å; V528-A710 HydrophobicContact CB-CB 3.8Å; V528-A710 HydrophobicContact CG1-CB 3.53Å; V528-A710 HydrophobicContact CG2-CB 4.38Å; V530-A710 HydrophobicContact CG1-CB 4.06Å; F708-A710 PolarHBondContact O-N 3.34Å; A710-D712 PolarHBondContact O-N 3.07Å |
| 711 | W | 82.1 | Confident | 72.5 | Confident | 33 Ų | 33 | 45.2 Ų | 45.2 | 13% | 0.125 | 28% | 0.278 | C | S | . | . | trans | -60.8 | 129.4 | 178.8 | -172.6 | -95.7 | 0 | 0 | 0 | 112.6 | Q638 L641 E700 F704 T705 F708 P713 W716 | Q638-W711 HydrophobicContact CB-CE3 3.74Å; Q638-W711 HydrophobicContact CB-CZ3 3.8Å; Q638-W711 VanDerWaalsContact CD-CE3 3.47Å; Q638-W711 HydrophobicContact CG-CD2 4.19Å; Q638-W711 HydrophobicContact CG-CE3 3.57Å; Q638-W711 HydrophobicContact CG-CH2 3.98Å; Q638-W711 HydrophobicContact CG-CZ3 3.44Å; Q638-W711 VanDerWaalsContact CG-CZ3 3.44Å; Q638-W711 VanDerWaalsContact NE2-CE2 3.29Å; L641-W711 HydrophobicContact CD1-CH2 3.38Å; L641-W711 HydrophobicContact CD1-CZ3 3.65Å; E700-W711 HydrophobicContact CB-CZ2 3.84Å; E700-W711 HydrophobicContact CG-CH2 4.13Å; E700-W711 HydrophobicContact CG-CZ2 3.67Å; F704-W711 HydrophobicContact CD1-CH2 4.22Å; F704-W711 AromaticContact CE1-CH2 3.78Å; F704-W711 HydrophobicContact CE1-CH2 3.78Å; F704-W711 HydrophobicContact CE1-CZ2 4.5Å; F704-W711 HydrophobicContact CE1-CZ3 4.4Å; T705-W711 HydrophobicContact CG2-CD2 3.88Å; T705-W711 HydrophobicContact CG2-CG 4.12Å; T705-W711 HydrophobicContact CG2-CH2 4.39Å; T705-W711 HydrophobicContact CG2-CZ2 3.59Å; F708-W711 HydrophobicContact CB-CE3 3.51Å; F708-W711 HydrophobicContact CB-CZ3 3.91Å; F708-W711 HydrophobicContact CD1-CE3 4.39Å; F708-W711 AromaticContact CD1-CZ3 3.94Å; F708-W711 HydrophobicContact CD1-CZ3 3.94Å; F708-W711 AromaticContact CD2-CE3 3.84Å; F708-W711 HydrophobicContact CD2-CE3 3.84Å; F708-W711 HydrophobicContact CD2-CH2 4.33Å; F708-W711 AromaticContact CD2-CZ3 3.46Å; F708-W711 HydrophobicContact CD2-CZ3 3.46Å; F708-W711 VanDerWaalsContact CD2-CZ3 3.46Å; F708-W711 HydrophobicContact CE1-CZ3 4.32Å; F708-W711 HydrophobicContact CE2-CH2 4.47Å; F708-W711 AromaticContact CE2-CZ3 3.91Å; F708-W711 HydrophobicContact CE2-CZ3 3.91Å; F708-W711 AromaticContact CG-CE3 3.67Å; F708-W711 HydrophobicContact CG-CE3 3.67Å; F708-W711 AromaticContact CG-CZ3 3.49Å; F708-W711 HydrophobicContact CG-CZ3 3.49Å; F708-W711 VanDerWaalsContact CG-CZ3 3.49Å; F708-W711 HydrophobicContact CZ-CZ3 4.31Å; W711-P713 WeakPolarHBondContact O-CD 3.4Å; W711-W716 AromaticContact CE2-CH2 3.87Å; W711-W716 HydrophobicContact CH2-CH2 4.08Å; W711-W716 HydrophobicContact CH2-CZ2 4.01Å; W711-W716 AromaticContact CZ2-CH2 3.34Å; W711-W716 HydrophobicContact CZ2-CH2 3.34Å; W711-W716 AromaticContact CZ2-CZ2 3.75Å; W711-W716 HydrophobicContact CZ2-CZ2 3.75Å | ||
| 712 | D | 77.6 | Confident | 71.7 | Confident | 13 Ų | 13 | 44.1 Ų | 44.1 | 7% | 0.07 | 27% | 0.268 | C | S | . | . | trans | -103 | 109.9 | 174.9 | 177.1 | 5.2 | 0 | 0 | 0 | 110.7 | R446 Q638 A710 N714 I715 | R446-D712 IonicContact NH1-OD2 3.17Å; R446-D712 PolarHBondContact NH1-OD2 3.24Å; Q638-D712 PolarHBondContact NE2-O 2.86Å; Q638-D712 PolarHBondContact OE1-O 2.58Å; A710-D712 PolarHBondContact O-N 3.07Å; D712-N714 PolarHBondContact O-N 2.76Å; D712-N714 VanDerWaalsContact O-N 3.14Å; D712-N714 WeakPolarHBondContact OD1-CB 3.17Å; D712-N714 PolarHBondContact OD1-N 2.68Å; D712-I715 HydrophobicContact CB-CB 4.41Å; D712-I715 PolarHBondContact O-N 2.8Å | ||
| 713 | P | 74.2 | Confident | 71.4 | Confident | 63 Ų | 63 | 47.7 Ų | 47.7 | 41% | 0.409 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -20.1 | 178.4 | -21.6 | 33.3 | 0 | 0 | 0 | 114.3 | P531 W711 | P531-P713 HydrophobicContact CG-CG 4.47Å; W711-P713 WeakPolarHBondContact O-CD 3.4Å |
| 714 | N | 71.6 | Confident | 70.8 | Confident | 104 Ų | 104 | 50 Ų | 50 | 56% | 0.556 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.2 | -1.7 | -171.8 | -60.9 | -52.3 | 0 | 0 | 0 | 113.6 | D712 W716 S717 | D712-N714 PolarHBondContact O-N 2.76Å; D712-N714 VanDerWaalsContact O-N 3.14Å; D712-N714 WeakPolarHBondContact OD1-CB 3.17Å; D712-N714 PolarHBondContact OD1-N 2.68Å; N714-W716 VanDerWaalsContact C-N 3.25Å; N714-W716 PolarHBondContact O-N 2.67Å; N714-W716 VanDerWaalsContact O-N 3.11Å; N714-S717 WeakPolarHBondContact O-CB 3.41Å; N714-S717 PolarHBondContact O-N 3.44Å; N714-S717 PolarHBondContact O-OG 2.78Å |
| 715 | I | 69.9 | Low | 69.7 | Low | 32 Ų | 32 | 51 Ų | 51 | 16% | 0.164 | 30% | 0.296 | C | S | . | . | G | 310 helix | trans | -55 | -37 | -171 | -157.5 | 170.8 | 0 | 0 | 0 | 113.5 | Q638 D712 S717 | Q638-I715 HydrophobicContact CG-CD1 4.05Å; Q638-I715 HydrophobicContact CG-CG2 4.24Å; D712-I715 HydrophobicContact CB-CB 4.41Å; D712-I715 PolarHBondContact O-N 2.8Å; I715-S717 VanDerWaalsContact C-N 3.25Å; I715-S717 PolarHBondContact O-N 3.34Å |
| 716 | W | 67.6 | Low | 69.2 | Low | 61 Ų | 61 | 53.7 Ų | 53.7 | 23% | 0.231 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -81.1 | -4.7 | -178.8 | -49 | -68.3 | 0 | 0 | 0 | 113.9 | W658 Q697 E700 W711 N714 A718 | W658-W716 HydrophobicContact CZ2-CZ2 4.49Å; Q697-W716 HydrophobicContact CG-CD2 3.96Å; Q697-W716 HydrophobicContact CG-CG 3.81Å; Q697-W716 VanDerWaalsContact NE2-CG 3.33Å; E700-W716 HydrophobicContact CG-CH2 4.26Å; E700-W716 WeakPolarHBondContact OE1-CH2 3.35Å; E700-W716 WeakPolarHBondContact OE1-CZ2 3.26Å; E700-W716 WeakPolarHBondContact OE2-CH2 3.23Å; E700-W716 VanDerWaalsContact OE2-CZ3 3.22Å; E700-W716 WeakPolarHBondContact OE2-CZ3 3.41Å; W711-W716 AromaticContact CE2-CH2 3.87Å; W711-W716 HydrophobicContact CH2-CH2 4.08Å; W711-W716 HydrophobicContact CH2-CZ2 4.01Å; W711-W716 AromaticContact CZ2-CH2 3.34Å; W711-W716 HydrophobicContact CZ2-CH2 3.34Å; W711-W716 AromaticContact CZ2-CZ2 3.75Å; W711-W716 HydrophobicContact CZ2-CZ2 3.75Å; N714-W716 VanDerWaalsContact C-N 3.25Å; N714-W716 PolarHBondContact O-N 2.67Å; N714-W716 VanDerWaalsContact O-N 3.11Å; W716-A718 VanDerWaalsContact C-N 3.29Å |
| 717 | S | 58.8 | Low | 68.8 | Low | 100 Ų | 100 | 61.1 Ų | 61.1 | 70% | 0.699 | 34% | 0.339 | S | S | * | . | G | 310 helix | trans | -84.6 | -5.7 | 176.6 | -35.6 | 0 | 0 | 0 | 0 | 112.1 | N714 I715 | N714-S717 WeakPolarHBondContact O-CB 3.41Å; N714-S717 PolarHBondContact O-N 3.44Å; N714-S717 PolarHBondContact O-OG 2.78Å; I715-S717 VanDerWaalsContact C-N 3.25Å; I715-S717 PolarHBondContact O-N 3.34Å |
| 718 | A | 49.6 | Very low | 68.1 | Low | 77 Ų | 77 | 63.5 Ų | 63.5 | 64% | 0.636 | 35% | 0.352 | S | S | * | . | trans | -121 | -1.2 | -162.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | W716 K720 | W716-A718 VanDerWaalsContact C-N 3.29Å; A718-K720 PolarHBondContact O-N 3.46Å | ||
| 719 | G | 49.2 | Very low | 67.6 | Low | 68 Ų | 68 | 65 Ų | 65 | 70% | 0.701 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -71.5 | 126.6 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 720 | K | 49.4 | Very low | 66.5 | Low | 92 Ų | 92 | 63.9 Ų | 63.9 | 40% | 0.4 | 36% | 0.363 | S | S | . | . | P | Polyproline II helix | trans | -80.9 | 128.3 | 177.1 | -65.6 | -177 | -177.5 | 175.6 | 0 | 111.7 | A718 Q724 L725 E728 | A718-K720 PolarHBondContact O-N 3.46Å; K720-Q724 HydrophobicContact CB-CB 4.02Å; K720-L725 HydrophobicContact CB-CD2 4.1Å; K720-L725 HydrophobicContact CB-CG 4.06Å; K720-E728 WeakPolarHBondContact CD-OE1 3.48Å; K720-E728 VanDerWaalsContact CE-OE1 3.29Å; K720-E728 WeakPolarHBondContact CE-OE1 3.34Å; K720-E728 IonicContact NZ-OE1 3.66Å; K720-E728 PolarHBondContact NZ-OE1 3.45Å |
| 721 | S | 57.6 | Low | 65.6 | Low | 46 Ų | 46 | 68.5 Ų | 68.5 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -67.8 | 167.1 | 176 | 86.3 | 0 | 0 | 0 | 0 | 112.2 | E723 Q724 L725 | S721-E723 WeakPolarHBondContact CB-OE2 3.46Å; S721-E723 PolarHBondContact O-N 2.87Å; S721-E723 PolarHBondContact OG-N 2.82Å; S721-E723 PolarHBondContact OG-OE2 2.86Å; S721-Q724 PolarHBondContact O-N 2.99Å; S721-Q724 VanDerWaalsContact O-N 3.15Å; S721-Q724 PolarHBondContact OG-N 2.79Å; S721-L725 WeakPolarHBondContact O-CG 3.18Å; S721-L725 PolarHBondContact O-N 2.94Å |
| 722 | Y | 63.3 | Low | 64.5 | Low | 19 Ų | 19 | 68.6 Ų | 68.6 | 8% | 0.075 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.4 | -40.9 | 173.2 | 166.4 | -104 | 0 | 0 | 0 | 111.7 | N175 R184 M188 V207 E209 L725 K726 | N175-Y722 PolarHBondContact ND2-OH 3.36Å; R184-Y722 HydrophobicContact CB-CD2 4.13Å; R184-Y722 HydrophobicContact CB-CE2 3.97Å; M188-Y722 HydrophobicContact CE-CE2 4.09Å; V207-Y722 WeakPolarHBondContact CG1-OH 3.27Å; E209-Y722 PolarHBondContact OE1-OH 2.71Å; Y722-L725 PolarHBondContact O-N 2.9Å; Y722-K726 HydrophobicContact CE1-CD 4.21Å; Y722-K726 VanDerWaalsContact O-CB 3.23Å; Y722-K726 WeakPolarHBondContact O-CB 3.48Å; Y722-K726 PolarHBondContact O-N 2.82Å |
| 723 | E | 70.4 | Confident | 63.6 | Low | 112 Ų | 112 | 70.4 Ų | 70.4 | 52% | 0.523 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.3 | -45.4 | 178 | -60.9 | 70.3 | -154.3 | 0 | 0 | 110.8 | S721 K726 E727 | S721-E723 WeakPolarHBondContact CB-OE2 3.46Å; S721-E723 PolarHBondContact O-N 2.87Å; S721-E723 PolarHBondContact OG-N 2.82Å; S721-E723 PolarHBondContact OG-OE2 2.86Å; E723-K726 WeakPolarHBondContact O-CB 3Å; E723-K726 PolarHBondContact O-N 3.29Å; E723-E727 WeakPolarHBondContact O-CG 3.28Å; E723-E727 PolarHBondContact O-N 2.94Å |
| 724 | Q | 65.5 | Low | 63.2 | Low | 93 Ų | 93 | 69.2 Ų | 69.2 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -65.5 | -39.8 | 177.4 | -68.3 | 173.1 | -36.4 | 0 | 0 | 111.9 | K720 S721 K726 E727 E728 | K720-Q724 HydrophobicContact CB-CB 4.02Å; S721-Q724 PolarHBondContact O-N 2.99Å; S721-Q724 VanDerWaalsContact O-N 3.15Å; S721-Q724 PolarHBondContact OG-N 2.79Å; Q724-K726 VanDerWaalsContact C-N 3.31Å; Q724-K726 PolarHBondContact O-N 2.91Å; Q724-E727 PolarHBondContact O-N 2.81Å; Q724-E728 WeakPolarHBondContact O-CG 3.38Å |
| 725 | L | 61.8 | Low | 63.1 | Low | 21 Ų | 21 | 64.3 Ų | 64.3 | 11% | 0.11 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -69.5 | -28.9 | 176.1 | -69.9 | 168.8 | 0 | 0 | 0 | 112.9 | L185 M188 K192 K720 S721 Y722 L729 | L185-L725 HydrophobicContact CD1-CD1 3.61Å; M188-L725 HydrophobicContact CG-CB 4.39Å; K192-L725 VanDerWaalsContact NZ-CD2 3.33Å; K720-L725 HydrophobicContact CB-CD2 4.1Å; K720-L725 HydrophobicContact CB-CG 4.06Å; S721-L725 WeakPolarHBondContact O-CG 3.18Å; S721-L725 PolarHBondContact O-N 2.94Å; Y722-L725 PolarHBondContact O-N 2.9Å; L725-L729 WeakPolarHBondContact O-CG 3.49Å |
| 726 | K | 73.8 | Confident | 62.9 | Low | 77 Ų | 77 | 66.2 Ų | 66.2 | 34% | 0.335 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -74.2 | -37.6 | 176.8 | 179.2 | -178.3 | 178.4 | 177.8 | 0 | 111.7 | E209 Y722 E723 Q724 E728 L729 | E209-K726 IonicContact OE1-NZ 3.04Å; E209-K726 PolarHBondContact OE1-NZ 3.49Å; Y722-K726 HydrophobicContact CE1-CD 4.21Å; Y722-K726 VanDerWaalsContact O-CB 3.23Å; Y722-K726 WeakPolarHBondContact O-CB 3.48Å; Y722-K726 PolarHBondContact O-N 2.82Å; E723-K726 WeakPolarHBondContact O-CB 3Å; E723-K726 PolarHBondContact O-N 3.29Å; Q724-K726 VanDerWaalsContact C-N 3.31Å; Q724-K726 PolarHBondContact O-N 2.91Å; K726-E728 PolarHBondContact O-N 2.76Å; K726-L729 PolarHBondContact O-N 3.42Å |
| 727 | E | 73.1 | Confident | 62.8 | Low | 164 Ų | 164 | 68.6 Ų | 68.6 | 77% | 0.766 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.6 | -22.6 | 175.2 | -75.1 | 174.9 | -179.1 | 0 | 0 | 112.9 | E723 Q724 | E723-E727 WeakPolarHBondContact O-CG 3.28Å; E723-E727 PolarHBondContact O-N 2.94Å; Q724-E727 PolarHBondContact O-N 2.81Å |
| 728 | E | 69.3 | Low | 63.1 | Low | 80 Ų | 80 | 66 Ų | 66 | 37% | 0.374 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -1.3 | 178.7 | -68.5 | 173.8 | 171.2 | 0 | 0 | 114.8 | K192 K720 Q724 K726 | K192-E728 IonicContact NZ-OE2 3.24Å; K720-E728 WeakPolarHBondContact CD-OE1 3.48Å; K720-E728 VanDerWaalsContact CE-OE1 3.29Å; K720-E728 WeakPolarHBondContact CE-OE1 3.34Å; K720-E728 IonicContact NZ-OE1 3.66Å; K720-E728 PolarHBondContact NZ-OE1 3.45Å; Q724-E728 WeakPolarHBondContact O-CG 3.38Å; K726-E728 PolarHBondContact O-N 2.76Å |
| 729 | L | 71.8 | Confident | 63.7 | Low | 34 Ų | 34 | 63.3 Ų | 63.3 | 18% | 0.178 | 36% | 0.355 | C | S | . | . | S | Bend | trans | -84.3 | 151.2 | -175.4 | -59 | 177.8 | 0 | 0 | 0 | 112.3 | M188 I205 V207 L725 K726 | M188-L729 HydrophobicContact CE-CD1 3.6Å; M188-L729 HydrophobicContact SD-CD1 3.86Å; M188-L729 HydrophobicContact SD-CD2 4.21Å; I205-L729 HydrophobicContact CB-CD2 4.25Å; I205-L729 HydrophobicContact CG2-CD1 4.27Å; I205-L729 HydrophobicContact CG2-CD2 4.46Å; V207-L729 HydrophobicContact CG2-CD1 3.46Å; V207-L729 VanDerWaalsContact CG2-CD1 3.46Å; L725-L729 WeakPolarHBondContact O-CG 3.49Å; K726-L729 PolarHBondContact O-N 3.42Å |
| 730 | G | 58.9 | Low | 64.4 | Low | 37 Ų | 37 | 62.1 Ų | 62.1 | 38% | 0.381 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 163.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | A732 | G730-A732 PolarHBondContact O-N 3.03Š|
| 731 | D | 61.7 | Low | 65 | Low | 112 Ų | 112 | 61.5 Ų | 61.5 | 60% | 0.599 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -62.7 | 125.1 | -177 | -174.7 | -5.1 | 0 | 0 | 0 | 111.9 | A733 A734 I735 | D731-A733 PolarHBondContact O-N 3.31Å; D731-A733 VanDerWaalsContact O-N 3.08Å; D731-A733 WeakPolarHBondContact OD1-CB 3.39Å; D731-A733 PolarHBondContact OD1-N 2.96Å; D731-A734 HydrophobicContact CB-CB 4.47Å; D731-A734 WeakPolarHBondContact O-CB 3.3Å; D731-A734 PolarHBondContact O-N 2.92Å; D731-I735 PolarHBondContact O-N 3.29Å |
| 732 | A | 60 | Low | 65.1 | Low | 36 Ų | 36 | 61.3 Ų | 61.3 | 30% | 0.298 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -55.7 | -26.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | G730 I735 M736 | G730-A732 PolarHBondContact O-N 3.03Å; A732-I735 PolarHBondContact O-N 3.18Å; A732-M736 PolarHBondContact O-N 3.5Å |
| 733 | A | 58.8 | Low | 64.8 | Low | 50 Ų | 50 | 64.7 Ų | 64.7 | 41% | 0.413 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -68.3 | -35.8 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | D731 M736 Q737 | D731-A733 PolarHBondContact O-N 3.31Å; D731-A733 VanDerWaalsContact O-N 3.08Å; D731-A733 WeakPolarHBondContact OD1-CB 3.39Å; D731-A733 PolarHBondContact OD1-N 2.96Å; A733-M736 PolarHBondContact O-N 2.8Å; A733-Q737 PolarHBondContact O-N 3.3Å |
| 734 | A | 64.7 | Low | 63.9 | Low | 38 Ų | 38 | 64 Ų | 64 | 31% | 0.314 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -66.4 | -38.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D731 M736 Q737 I738 | D731-A734 HydrophobicContact CB-CB 4.47Å; D731-A734 WeakPolarHBondContact O-CB 3.3Å; D731-A734 PolarHBondContact O-N 2.92Å; A734-M736 VanDerWaalsContact C-N 3.32Å; A734-M736 PolarHBondContact O-N 2.62Å; A734-Q737 PolarHBondContact O-N 3.42Å; A734-I738 VanDerWaalsContact O-CG1 3.28Å; A734-I738 WeakPolarHBondContact O-CG1 3.39Å; A734-I738 PolarHBondContact O-N 3.07Å |
| 735 | I | 69.5 | Low | 63 | Low | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61 | -40.1 | 175.5 | -67.6 | 170.3 | 0 | 0 | 0 | 111.5 | V170 E204 L219 D731 A732 T739 | V170-I735 HydrophobicContact CG1-CG2 3.58Å; V170-I735 HydrophobicContact CG2-CG2 4.18Å; E204-I735 HydrophobicContact CB-CD1 4.23Å; E204-I735 HydrophobicContact CB-CG1 3.62Å; E204-I735 HydrophobicContact CG-CG1 4.34Å; L219-I735 HydrophobicContact CD2-CB 4.21Å; L219-I735 HydrophobicContact CD2-CD1 3.83Å; L219-I735 HydrophobicContact CD2-CG2 3.69Å; D731-I735 PolarHBondContact O-N 3.29Å; A732-I735 PolarHBondContact O-N 3.18Å; I735-T739 WeakPolarHBondContact O-CB 3.34Å; I735-T739 PolarHBondContact O-N 3.28Å; I735-T739 PolarHBondContact O-OG1 2.73Å |
| 736 | M | 65.8 | Low | 62.1 | Low | 73 Ų | 73 | 63.3 Ų | 63.3 | 36% | 0.36 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -65.2 | -44.1 | 176 | -75.5 | -153.1 | -57 | 0 | 0 | 112.6 | E218 A732 A733 A734 T739 A740 | E218-M736 HydrophobicContact CB-CE 4.44Å; E218-M736 HydrophobicContact CB-CG 3.76Å; E218-M736 HydrophobicContact CB-SD 3.62Å; E218-M736 HydrophobicContact CG-CE 3.78Å; E218-M736 HydrophobicContact CG-CG 4.16Å; E218-M736 HydrophobicContact CG-SD 3.5Å; E218-M736 WeakPolarHBondContact CG-SD 3.36Å; A732-M736 PolarHBondContact O-N 3.5Å; A733-M736 PolarHBondContact O-N 2.8Å; A734-M736 VanDerWaalsContact C-N 3.32Å; A734-M736 PolarHBondContact O-N 2.62Å; M736-T739 PolarHBondContact O-N 2.71Å; M736-A740 WeakPolarHBondContact O-CB 3.41Å; M736-A740 PolarHBondContact O-N 3.24Å |
| 737 | Q | 65.2 | Low | 60.4 | Low | 111 Ų | 111 | 64.7 Ų | 64.7 | 52% | 0.519 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.1 | -46.4 | 179.5 | -173.8 | 59.5 | 37.6 | 0 | 0 | 110.5 | A733 A734 T739 A740 D741 | A733-Q737 PolarHBondContact O-N 3.3Å; A734-Q737 PolarHBondContact O-N 3.42Å; Q737-T739 VanDerWaalsContact C-N 3.33Å; Q737-T739 PolarHBondContact O-N 3.42Å; Q737-A740 PolarHBondContact O-N 3.15Å; Q737-D741 PolarHBondContact NE2-OD1 2.78Å; Q737-D741 VanDerWaalsContact NE2-OD1 3.12Å; Q737-D741 PolarHBondContact NE2-OD2 2.77Å; Q737-D741 WeakPolarHBondContact O-CB 3.47Å; Q737-D741 PolarHBondContact O-N 2.68Å |
| 738 | I | 65.3 | Low | 58.5 | Low | 46 Ų | 46 | 60.9 Ų | 60.9 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 176.3 | -66.1 | 165.3 | 0 | 0 | 0 | 110.9 | K169 V170 E204 A734 D741 M742 | K169-I738 HydrophobicContact CB-CG2 3.67Å; K169-I738 HydrophobicContact CD-CG2 4.08Å; V170-I738 HydrophobicContact CG2-CB 4.23Å; V170-I738 HydrophobicContact CG2-CG2 3.7Å; E204-I738 HydrophobicContact CB-CD1 4.46Å; E204-I738 HydrophobicContact CG-CD1 3.59Å; A734-I738 VanDerWaalsContact O-CG1 3.28Å; A734-I738 WeakPolarHBondContact O-CG1 3.39Å; A734-I738 PolarHBondContact O-N 3.07Å; I738-D741 PolarHBondContact O-N 3.05Å; I738-M742 HydrophobicContact CG2-SD 4.16Å; I738-M742 WeakPolarHBondContact O-CB 3.25Å; I738-M742 VanDerWaalsContact O-CG 3.23Å; I738-M742 WeakPolarHBondContact O-CG 3.15Å; I738-M742 PolarHBondContact O-N 2.71Å |
| 739 | T | 63.6 | Low | 57.1 | Low | 19 Ų | 19 | 62 Ų | 62 | 12% | 0.117 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -70.2 | -38.3 | -179.7 | -53.1 | 0 | 0 | 0 | 0 | 112 | V222 I735 M736 Q737 M742 K743 | V222-T739 HydrophobicContact CB-CG2 4.34Å; V222-T739 HydrophobicContact CG1-CG2 3.7Å; V222-T739 HydrophobicContact CG2-CG2 3.85Å; I735-T739 WeakPolarHBondContact O-CB 3.34Å; I735-T739 PolarHBondContact O-N 3.28Å; I735-T739 PolarHBondContact O-OG1 2.73Å; M736-T739 PolarHBondContact O-N 2.71Å; Q737-T739 VanDerWaalsContact C-N 3.33Å; Q737-T739 PolarHBondContact O-N 3.42Å; T739-M742 WeakPolarHBondContact O-CB 3.4Å; T739-M742 PolarHBondContact O-N 3.2Å; T739-K743 WeakPolarHBondContact O-CB 3.23Å; T739-K743 PolarHBondContact O-N 3.29Å |
| 740 | A | 62.9 | Low | 55.1 | Low | 43 Ų | 43 | 65.9 Ų | 65.9 | 36% | 0.355 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | M736 Q737 M742 K743 N744 | M736-A740 WeakPolarHBondContact O-CB 3.41Å; M736-A740 PolarHBondContact O-N 3.24Å; Q737-A740 PolarHBondContact O-N 3.15Å; A740-M742 VanDerWaalsContact C-N 3.34Å; A740-K743 CarbonylContact O-C 3.52Å; A740-K743 PolarHBondContact O-N 3.17Å; A740-K743 VanDerWaalsContact O-N 3.15Å; A740-N744 WeakPolarHBondContact O-CB 3.28Å; A740-N744 VanDerWaalsContact O-CG 3.24Å; A740-N744 PolarHBondContact O-N 3.49Å; A740-N744 PolarHBondContact O-ND2 3.02Å |
| 741 | D | 61.7 | Low | 53.8 | Low | 80 Ų | 80 | 67.4 Ų | 67.4 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -65.9 | -36.8 | 174.3 | -69.3 | -23.7 | 0 | 0 | 0 | 111.5 | Q737 I738 N744 A745 | Q737-D741 PolarHBondContact NE2-OD1 2.78Å; Q737-D741 VanDerWaalsContact NE2-OD1 3.12Å; Q737-D741 PolarHBondContact NE2-OD2 2.77Å; Q737-D741 WeakPolarHBondContact O-CB 3.47Å; Q737-D741 PolarHBondContact O-N 2.68Å; I738-D741 PolarHBondContact O-N 3.05Å; D741-N744 PolarHBondContact O-N 2.92Å; D741-A745 VanDerWaalsContact O-CB 3.22Å; D741-A745 WeakPolarHBondContact O-CB 3.42Å; D741-A745 PolarHBondContact O-N 3.11Å |
| 742 | M | 60.4 | Low | 52.6 | Low | 41 Ų | 41 | 69 Ų | 69 | 20% | 0.202 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 170 | -75.6 | 174.9 | 68.7 | 0 | 0 | 112.2 | L167 K169 I738 T739 A740 A745 T746 | L167-M742 HydrophobicContact CB-CE 4.32Å; L167-M742 WeakPolarHBondContact O-CE 3.29Å; K169-M742 HydrophobicContact CB-SD 4.05Å; K169-M742 HydrophobicContact CD-SD 4.35Å; K169-M742 HydrophobicContact CG-SD 4.45Å; I738-M742 HydrophobicContact CG2-SD 4.16Å; I738-M742 WeakPolarHBondContact O-CB 3.25Å; I738-M742 VanDerWaalsContact O-CG 3.23Å; I738-M742 WeakPolarHBondContact O-CG 3.15Å; I738-M742 PolarHBondContact O-N 2.71Å; T739-M742 WeakPolarHBondContact O-CB 3.4Å; T739-M742 PolarHBondContact O-N 3.2Å; A740-M742 VanDerWaalsContact C-N 3.34Å; M742-A745 PolarHBondContact O-N 3.06Å; M742-T746 VanDerWaalsContact O-CB 3.28Å; M742-T746 WeakPolarHBondContact O-CB 3.2Å; M742-T746 PolarHBondContact O-N 3.29Å; M742-T746 PolarHBondContact O-OG1 3.39Å |
| 743 | K | 56.2 | Low | 51.4 | Low | 90 Ų | 90 | 74.9 Ų | 74.9 | 39% | 0.391 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | 176.8 | -136.7 | 178.3 | -171.6 | -177.3 | 0 | 110.9 | D225 T739 A740 T746 L747 | D225-K743 IonicContact OD1-NZ 3.24Å; D225-K743 PolarHBondContact OD1-NZ 2.61Å; D225-K743 VanDerWaalsContact OD1-NZ 3.09Å; D225-K743 IonicContact OD2-NZ 2.74Å; D225-K743 PolarHBondContact OD2-NZ 2.81Å; T739-K743 WeakPolarHBondContact O-CB 3.23Å; T739-K743 PolarHBondContact O-N 3.29Å; A740-K743 CarbonylContact O-C 3.52Å; A740-K743 PolarHBondContact O-N 3.17Å; A740-K743 VanDerWaalsContact O-N 3.15Å; K743-T746 CarbonylContact O-C 3.51Å; K743-T746 PolarHBondContact O-N 2.98Å; K743-L747 VanDerWaalsContact O-CB 3.25Å; K743-L747 WeakPolarHBondContact O-CB 3.18Å; K743-L747 WeakPolarHBondContact O-CD1 3.2Å; K743-L747 WeakPolarHBondContact O-CG 3.02Å; K743-L747 PolarHBondContact O-N 3.28Å |
| 744 | N | 52.5 | Low | 50.4 | Low | 98 Ų | 98 | 76.4 Ų | 76.4 | 52% | 0.524 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -67.4 | -39.8 | 174.7 | -70.8 | -22.7 | 0 | 0 | 0 | 111.8 | A740 D741 L747 S748 | A740-N744 WeakPolarHBondContact O-CB 3.28Å; A740-N744 VanDerWaalsContact O-CG 3.24Å; A740-N744 PolarHBondContact O-N 3.49Å; A740-N744 PolarHBondContact O-ND2 3.02Å; D741-N744 PolarHBondContact O-N 2.92Å; N744-L747 PolarHBondContact O-N 3.22Å; N744-S748 WeakPolarHBondContact O-CB 3.38Å; N744-S748 PolarHBondContact O-N 3.11Å; N744-S748 PolarHBondContact O-OG 3.07Å |
| 745 | A | 45.8 | Very low | 49.2 | Very low | 49 Ų | 49 | 83.5 Ų | 83.5 | 41% | 0.405 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.9 | -41 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D741 M742 S748 V749 | D741-A745 VanDerWaalsContact O-CB 3.22Å; D741-A745 WeakPolarHBondContact O-CB 3.42Å; D741-A745 PolarHBondContact O-N 3.11Å; M742-A745 PolarHBondContact O-N 3.06Å; A745-S748 WeakPolarHBondContact CA-OG 3.4Å; A745-S748 PolarHBondContact O-N 3.43Å; A745-S748 PolarHBondContact O-OG 3.38Å; A745-V749 VanDerWaalsContact O-CG2 3.25Å; A745-V749 WeakPolarHBondContact O-CG2 3.34Å; A745-V749 PolarHBondContact O-N 2.68Å; A745-V749 VanDerWaalsContact O-N 3.07Å |
| 746 | T | 42.8 | Very low | 48.2 | Very low | 51 Ų | 51 | 86.6 Ų | 86.6 | 31% | 0.313 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.5 | -33.8 | 176.3 | -49.8 | 0 | 0 | 0 | 0 | 111.7 | M742 K743 S748 V749 N750 | M742-T746 VanDerWaalsContact O-CB 3.28Å; M742-T746 WeakPolarHBondContact O-CB 3.2Å; M742-T746 PolarHBondContact O-N 3.29Å; M742-T746 PolarHBondContact O-OG1 3.39Å; K743-T746 CarbonylContact O-C 3.51Å; K743-T746 PolarHBondContact O-N 2.98Å; T746-S748 VanDerWaalsContact C-N 3.35Å; T746-V749 CarbonylContact O-C 3.51Å; T746-V749 PolarHBondContact O-N 3.17Å; T746-N750 WeakPolarHBondContact CG2-ND2 3.38Å; T746-N750 WeakPolarHBondContact O-CB 3.39Å; T746-N750 PolarHBondContact O-N 3.23Å |
| 747 | L | 38.4 | Very low | 48 | Very low | 106 Ų | 106 | 89.5 Ų | 89.5 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -70.6 | -31.5 | 172.5 | -76.4 | 160.8 | 0 | 0 | 0 | 111.3 | K743 N744 V749 S751 | K743-L747 VanDerWaalsContact O-CB 3.25Å; K743-L747 WeakPolarHBondContact O-CB 3.18Å; K743-L747 WeakPolarHBondContact O-CD1 3.2Å; K743-L747 WeakPolarHBondContact O-CG 3.02Å; K743-L747 PolarHBondContact O-N 3.28Å; N744-L747 PolarHBondContact O-N 3.22Å; L747-V749 VanDerWaalsContact C-N 3.27Å; L747-V749 PolarHBondContact O-N 3.17Å; L747-S751 WeakPolarHBondContact O-CB 3.27Å; L747-S751 PolarHBondContact O-N 3.49Å; L747-S751 PolarHBondContact O-OG 2.9Å |
| 748 | S | 34.1 | Very low | 48.7 | Very low | 83 Ų | 83 | 89.5 Ų | 89.5 | 58% | 0.58 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -74 | -17 | 171.2 | 75.2 | 0 | 0 | 0 | 0 | 113.8 | N744 A745 T746 | N744-S748 WeakPolarHBondContact O-CB 3.38Å; N744-S748 PolarHBondContact O-N 3.11Å; N744-S748 PolarHBondContact O-OG 3.07Å; A745-S748 WeakPolarHBondContact CA-OG 3.4Å; A745-S748 PolarHBondContact O-N 3.43Å; A745-S748 PolarHBondContact O-OG 3.38Å; T746-S748 VanDerWaalsContact C-N 3.35Å |
| 749 | V | 37.9 | Very low | 49.2 | Very low | 103 Ų | 103 | 89.4 Ų | 89.4 | 62% | 0.624 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -101.6 | -26.8 | 177.4 | 175.1 | 0 | 0 | 0 | 0 | 112.1 | A745 T746 L747 | A745-V749 VanDerWaalsContact O-CG2 3.25Å; A745-V749 WeakPolarHBondContact O-CG2 3.34Å; A745-V749 PolarHBondContact O-N 2.68Å; A745-V749 VanDerWaalsContact O-N 3.07Å; T746-V749 CarbonylContact O-C 3.51Å; T746-V749 PolarHBondContact O-N 3.17Å; L747-V749 VanDerWaalsContact C-N 3.27Å; L747-V749 PolarHBondContact O-N 3.17Å |
| 750 | N | 30.9 | Very low | 50 | Low | 116 Ų | 116 | 92.3 Ų | 92.3 | 62% | 0.62 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -101.8 | 1.8 | 178.3 | -70.3 | -10.8 | 0 | 0 | 0 | 113.8 | T746 I752 | T746-N750 WeakPolarHBondContact CG2-ND2 3.38Å; T746-N750 WeakPolarHBondContact O-CB 3.39Å; T746-N750 PolarHBondContact O-N 3.23Å; N750-I752 PolarHBondContact O-N 3.11Å |
| 751 | S | 31.8 | Very low | 50.7 | Low | 70 Ų | 70 | 93.1 Ų | 93.1 | 49% | 0.49 | 51% | 0.507 | S | S | . | . | trans | -80.2 | 46.3 | 166.9 | 67.2 | 0 | 0 | 0 | 0 | 112.2 | L747 | L747-S751 WeakPolarHBondContact O-CB 3.27Å; L747-S751 PolarHBondContact O-N 3.49Å; L747-S751 PolarHBondContact O-OG 2.9Å | ||
| 752 | I | 36.4 | Very low | 51.5 | Low | 144 Ų | 144 | 92.6 Ų | 92.6 | 74% | 0.738 | 51% | 0.514 | S | S | * | . | S | Bend | trans | -108.3 | 21.9 | 161.7 | -47.5 | -178.1 | 0 | 0 | 0 | 109.6 | N750 | N750-I752 PolarHBondContact O-N 3.11Š|
| 753 | D | 35 | Very low | 52.3 | Low | 161 Ų | 161 | 92.5 Ų | 92.5 | 86% | 0.861 | 52% | 0.516 | S | S | * | . | S | Bend | trans | -149.2 | 30.8 | 165.7 | -120.5 | -0.8 | 0 | 0 | 0 | 114.2 | ||
| 754 | S | 36.9 | Very low | 53.2 | Low | 81 Ų | 81 | 88.2 Ų | 88.2 | 57% | 0.566 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -87 | 117 | 152.7 | 66.4 | 0 | 0 | 0 | 0 | 106.9 | S756 | S754-S756 PolarHBondContact O-N 3.05Š|
| 755 | E | 40.5 | Very low | 54.2 | Low | 187 Ų | 187 | 86.7 Ų | 86.7 | 87% | 0.874 | 49% | 0.489 | S | S | * | . | trans | -18 | 98.4 | 177.4 | -73.1 | -178.8 | 149.2 | 0 | 0 | 112.9 | K757 | E755-K757 PolarHBondContact O-N 3.34Š| ||
| 756 | S | 48.1 | Very low | 55.3 | Low | 66 Ų | 66 | 88.6 Ų | 88.6 | 46% | 0.462 | 49% | 0.488 | S | S | . | . | trans | -64.9 | 104.3 | 179.5 | -69.5 | 0 | 0 | 0 | 0 | 108.1 | S754 Y758 | S754-S756 PolarHBondContact O-N 3.05Å; S756-Y758 WeakPolarHBondContact CB-OH 3.32Å; S756-Y758 WeakPolarHBondContact O-CD2 3.23Å; S756-Y758 WeakPolarHBondContact O-CE2 3.46Å; S756-Y758 PolarHBondContact O-N 3.46Å; S756-Y758 VanDerWaalsContact O-N 3.11Å | ||
| 757 | K | 62 | Low | 56 | Low | 135 Ų | 135 | 92.4 Ų | 92.4 | 59% | 0.587 | 51% | 0.506 | S | S | * | . | trans | -66.6 | 108.7 | 170.7 | -81.7 | 179.6 | 178.5 | 176.9 | 0 | 108.6 | E755 Y759 D775 | E755-K757 PolarHBondContact O-N 3.34Å; K757-Y759 HydrophobicContact CB-CE2 4.44Å; K757-D775 WeakPolarHBondContact CD-OD2 3.49Å; K757-D775 IonicContact NZ-OD2 3.4Å; K757-D775 PolarHBondContact NZ-OD2 2.69Å | ||
| 758 | Y | 79.5 | Confident | 56.8 | Low | 110 Ų | 110 | 96.8 Ų | 96.8 | 43% | 0.431 | 52% | 0.524 | S | S | . | . | trans | -93.4 | 139.1 | 173.8 | -57.6 | -66.1 | 0 | 0 | 0 | 110.6 | S756 Y784 L785 | S756-Y758 WeakPolarHBondContact CB-OH 3.32Å; S756-Y758 WeakPolarHBondContact O-CD2 3.23Å; S756-Y758 WeakPolarHBondContact O-CE2 3.46Å; S756-Y758 PolarHBondContact O-N 3.46Å; S756-Y758 VanDerWaalsContact O-N 3.11Å; Y758-Y784 CarbonylContact C-O 2.65Å; Y758-Y784 VanDerWaalsContact CA-O 3.23Å; Y758-Y784 WeakPolarHBondContact CA-O 3.48Å; Y758-L785 WeakPolarHBondContact CD1-O 3.35Å; Y758-L785 WeakPolarHBondContact CE1-O 3.43Å | ||
| 759 | Y | 76.7 | Confident | 57.7 | Low | 44 Ų | 44 | 100.6 Ų | 100.6 | 17% | 0.173 | 54% | 0.538 | C | S | . | . | trans | -114.6 | 139.8 | 176.7 | -68.7 | -76.3 | 0 | 0 | 0 | 110.3 | K757 V763 P773 D775 V776 Y784 | K757-Y759 HydrophobicContact CB-CE2 4.44Å; Y759-V763 HydrophobicContact CD1-CG1 4.28Å; Y759-P773 HydrophobicContact CD1-CG 4.28Å; Y759-P773 HydrophobicContact CE1-CB 4.24Å; Y759-P773 HydrophobicContact CE1-CG 3.82Å; Y759-P773 HydrophobicContact CE2-CB 4.43Å; Y759-P773 HydrophobicContact CE2-CG 4.42Å; Y759-D775 VanDerWaalsContact OH-CG 3.25Å; Y759-D775 PolarHBondContact OH-OD1 2.74Å; Y759-D775 PolarHBondContact OH-OD2 3.49Å; Y759-D775 VanDerWaalsContact OH-OD2 3.04Å; Y759-V776 HydrophobicContact CD2-CG2 3.54Å; Y759-V776 HydrophobicContact CE2-CG2 3.34Å; Y759-V776 HydrophobicContact CG-CG2 4.49Å; Y759-Y784 HydrophobicContact CD2-CD1 4.39Å; Y759-Y784 HydrophobicContact CE2-CD1 4.46Å; Y759-Y784 PolarHBondContact N-O 3.3Å | ||
| 760 | P | 79 | Confident | 58.8 | Low | 81 Ų | 81 | 101.7 Ų | 101.7 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | trans | -56.5 | 142.9 | 171.5 | -23.6 | 33.1 | 0 | 0 | 0 | 111.1 | A762 V763 | P760-A762 PolarHBondContact O-N 3.02Å; P760-V763 HydrophobicContact CB-CG2 4.47Å; P760-V763 WeakPolarHBondContact O-CB 3.09Å; P760-V763 PolarHBondContact O-N 3.47Å | ||
| 761 | I | 79.1 | Confident | 60.2 | Low | 59 Ų | 59 | 105.4 Ų | 105.4 | 30% | 0.303 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -50.5 | -35.7 | -178 | -164.6 | -164.4 | 0 | 0 | 0 | 113.1 | V763 L764 L765 L785 V793 | I761-V763 PolarHBondContact O-N 3.25Å; I761-L764 PolarHBondContact O-N 2.78Å; I761-L764 VanDerWaalsContact O-N 3.08Å; I761-L765 HydrophobicContact CD1-CD1 3.8Å; I761-L765 HydrophobicContact CD1-CG 4.4Å; I761-L765 HydrophobicContact CG1-CD1 3.79Å; I761-L765 HydrophobicContact CG1-CG 4.01Å; I761-L765 WeakPolarHBondContact O-CB 3.47Å; I761-L765 VanDerWaalsContact O-CG 3.26Å; I761-L765 WeakPolarHBondContact O-CG 3.39Å; I761-L765 PolarHBondContact O-N 3.2Å; I761-L785 HydrophobicContact CB-CD2 4.04Å; I761-L785 HydrophobicContact CG1-CD2 4.25Å; I761-V793 HydrophobicContact CB-CG2 4.47Å; I761-V793 HydrophobicContact CD1-CB 4.47Å; I761-V793 HydrophobicContact CD1-CG1 4.37Å; I761-V793 HydrophobicContact CD1-CG2 3.27Å; I761-V793 HydrophobicContact CG1-CG2 3.9Å |
| 762 | A | 76.7 | Confident | 62.1 | Low | 69 Ų | 69 | 103.8 Ų | 103.8 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.6 | -26.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | P760 | P760-A762 PolarHBondContact O-N 3.02Å |
| 763 | V | 77.8 | Confident | 63.9 | Low | 39 Ų | 39 | 98.7 Ų | 98.7 | 24% | 0.236 | 51% | 0.512 | C | S | . | . | H | α-helix | trans | -77.4 | -37.9 | 175.5 | -179.3 | 0 | 0 | 0 | 0 | 110.6 | Y759 P760 I761 P773 | Y759-V763 HydrophobicContact CD1-CG1 4.28Å; P760-V763 HydrophobicContact CB-CG2 4.47Å; P760-V763 WeakPolarHBondContact O-CB 3.09Å; P760-V763 PolarHBondContact O-N 3.47Å; I761-V763 PolarHBondContact O-N 3.25Å; V763-P773 HydrophobicContact CG1-CG 4.16Å |
| 764 | L | 75 | Confident | 65.6 | Low | 0 Ų | 0 | 101 Ų | 101 | 0% | 0 | 52% | 0.517 | C | S | . | . | H | α-helix | trans | -78.9 | -23.8 | -177.3 | -60.9 | 172.9 | 0 | 0 | 0 | 113 | I761 K766 V776 K781 L785 L818 | I761-L764 PolarHBondContact O-N 2.78Å; I761-L764 VanDerWaalsContact O-N 3.08Å; L764-K766 VanDerWaalsContact C-N 3.28Å; L764-K766 PolarHBondContact O-N 2.88Å; L764-V776 HydrophobicContact CD2-CG1 3.79Å; L764-V776 HydrophobicContact CD2-CG2 4.28Å; L764-K781 WeakPolarHBondContact O-CD 3.44Å; L764-K781 PolarHBondContact O-NZ 3.5Å; L764-L785 HydrophobicContact CD1-CD2 3.62Å; L764-L785 HydrophobicContact CD1-CG 3.87Å; L764-L818 HydrophobicContact CB-CD2 3.82Å |
| 765 | L | 73.3 | Confident | 67.3 | Low | 67 Ų | 67 | 100.1 Ų | 100.1 | 35% | 0.351 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -1.6 | 175.9 | -71.8 | 173.1 | 0 | 0 | 0 | 114.4 | I761 N767 K816 L818 | I761-L765 HydrophobicContact CD1-CD1 3.8Å; I761-L765 HydrophobicContact CD1-CG 4.4Å; I761-L765 HydrophobicContact CG1-CD1 3.79Å; I761-L765 HydrophobicContact CG1-CG 4.01Å; I761-L765 WeakPolarHBondContact O-CB 3.47Å; I761-L765 VanDerWaalsContact O-CG 3.26Å; I761-L765 WeakPolarHBondContact O-CG 3.39Å; I761-L765 PolarHBondContact O-N 3.2Å; L765-N767 PolarHBondContact O-N 2.98Å; L765-K816 WeakPolarHBondContact CD2-O 3.22Å; L765-L818 HydrophobicContact CD2-CD2 4.4Å |
| 766 | K | 68.6 | Low | 68.9 | Low | 88 Ų | 88 | 91.7 Ų | 91.7 | 38% | 0.383 | 47% | 0.467 | S | S | . | . | trans | -64.9 | 125.8 | 175.5 | -67.1 | -174.3 | 177.9 | -174 | 0 | 109.8 | L764 Q770 | L764-K766 VanDerWaalsContact C-N 3.28Å; L764-K766 PolarHBondContact O-N 2.88Å; K766-Q770 HydrophobicContact CD-CB 4.47Å | ||
| 767 | N | 58.3 | Low | 70.1 | Confident | 132 Ų | 132 | 91.8 Ų | 91.8 | 71% | 0.706 | 46% | 0.463 | S | S | * | . | trans | -81.6 | 161.9 | -178.4 | -79.1 | -20.2 | 0 | 0 | 0 | 112.1 | L765 N769 Q770 | L765-N767 PolarHBondContact O-N 2.98Å; N767-N769 PolarHBondContact O-N 3.41Å; N767-Q770 PolarHBondContact O-N 2.54Å; N767-Q770 VanDerWaalsContact O-N 3.1Å | ||
| 768 | Q | 54.6 | Low | 70.7 | Confident | 198 Ų | 198 | 88.9 Ų | 88.9 | 93% | 0.925 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -41.1 | -3.7 | -166.7 | -77 | 175.7 | -14.6 | 0 | 0 | 120.2 | ||
| 769 | N | 54.4 | Low | 70.3 | Confident | 163 Ų | 163 | 86.4 Ų | 86.4 | 87% | 0.872 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -117.8 | 13.4 | 177.8 | -70.1 | -3.3 | 0 | 0 | 0 | 114.2 | N767 | N767-N769 PolarHBondContact O-N 3.41Š|
| 770 | Q | 59.4 | Low | 70.3 | Confident | 126 Ų | 126 | 89.6 Ų | 89.6 | 59% | 0.589 | 48% | 0.475 | S | S | * | . | S | Bend | trans | -127.1 | 129.7 | 163.6 | -72.5 | -174.5 | -1.4 | 0 | 0 | 109.1 | K766 N767 L772 | K766-Q770 HydrophobicContact CD-CB 4.47Å; N767-Q770 PolarHBondContact O-N 2.54Å; N767-Q770 VanDerWaalsContact O-N 3.1Å; Q770-L772 PolarHBondContact O-N 3.28Å |
| 771 | E | 61.1 | Low | 70.4 | Confident | 193 Ų | 193 | 86.4 Ų | 86.4 | 90% | 0.902 | 45% | 0.453 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 119.6 | -175 | -72 | 174.3 | 170.7 | 0 | 0 | 110.7 | ||
| 772 | L | 71.1 | Confident | 70.5 | Confident | 37 Ų | 37 | 84.2 Ų | 84.2 | 19% | 0.194 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -65.1 | 152.7 | 162.7 | -70.3 | 163.1 | 0 | 0 | 0 | 108.1 | Q770 E774 V776 P778 | Q770-L772 PolarHBondContact O-N 3.28Å; L772-E774 PolarHBondContact O-N 3.3Å; L772-V776 HydrophobicContact CB-CB 4.49Å; L772-P778 HydrophobicContact CD1-CB 4.12Å; L772-P778 HydrophobicContact CD1-CG 4.11Å |
| 773 | P | 74.9 | Confident | 70.7 | Confident | 37 Ų | 37 | 84.8 Ų | 84.8 | 24% | 0.24 | 44% | 0.435 | C | S | . | . | P | Polyproline II helix | trans | -51.2 | 140.9 | 172 | -23.4 | 32.8 | 0 | 0 | 0 | 111.1 | Y759 V763 D775 V776 | Y759-P773 HydrophobicContact CD1-CG 4.28Å; Y759-P773 HydrophobicContact CE1-CB 4.24Å; Y759-P773 HydrophobicContact CE1-CG 3.82Å; Y759-P773 HydrophobicContact CE2-CB 4.43Å; Y759-P773 HydrophobicContact CE2-CG 4.42Å; V763-P773 HydrophobicContact CG1-CG 4.16Å; P773-D775 VanDerWaalsContact CB-OD1 3.32Å; P773-D775 WeakPolarHBondContact CB-OD1 3.41Å; P773-D775 PolarHBondContact O-N 2.89Å; P773-V776 HydrophobicContact CB-CG2 4Å; P773-V776 HydrophobicContact CG-CG2 4.09Å; P773-V776 WeakPolarHBondContact O-CB 3.44Å; P773-V776 PolarHBondContact O-N 3.4Å |
| 774 | E | 70.5 | Confident | 70.9 | Confident | 209 Ų | 209 | 85.4 Ų | 85.4 | 98% | 0.977 | 43% | 0.433 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.9 | -174.6 | -69.1 | -175.6 | 163.2 | 0 | 0 | 113.6 | L772 | L772-E774 PolarHBondContact O-N 3.3Š|
| 775 | D | 71.7 | Confident | 71.1 | Confident | 63 Ų | 63 | 85.4 Ų | 85.4 | 34% | 0.337 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | -1.1 | 179.4 | 62.5 | -15 | 0 | 0 | 0 | 114.4 | K757 Y759 P773 Y784 | K757-D775 WeakPolarHBondContact CD-OD2 3.49Å; K757-D775 IonicContact NZ-OD2 3.4Å; K757-D775 PolarHBondContact NZ-OD2 2.69Å; Y759-D775 VanDerWaalsContact OH-CG 3.25Å; Y759-D775 PolarHBondContact OH-OD1 2.74Å; Y759-D775 PolarHBondContact OH-OD2 3.49Å; Y759-D775 VanDerWaalsContact OH-OD2 3.04Å; P773-D775 VanDerWaalsContact CB-OD1 3.32Å; P773-D775 WeakPolarHBondContact CB-OD1 3.41Å; P773-D775 PolarHBondContact O-N 2.89Å; D775-Y784 WeakPolarHBondContact O-CE1 3.28Å; D775-Y784 PolarHBondContact O-OH 3.41Å |
| 776 | V | 74.8 | Confident | 71.5 | Confident | 9 Ų | 9 | 83.4 Ų | 83.4 | 6% | 0.055 | 43% | 0.425 | C | S | . | . | trans | -95.9 | 114.8 | 179.2 | 176.3 | 0 | 0 | 0 | 0 | 111.1 | Y759 L764 L772 P773 P778 K781 Y784 | Y759-V776 HydrophobicContact CD2-CG2 3.54Å; Y759-V776 HydrophobicContact CE2-CG2 3.34Å; Y759-V776 HydrophobicContact CG-CG2 4.49Å; L764-V776 HydrophobicContact CD2-CG1 3.79Å; L764-V776 HydrophobicContact CD2-CG2 4.28Å; L772-V776 HydrophobicContact CB-CB 4.49Å; P773-V776 HydrophobicContact CB-CG2 4Å; P773-V776 HydrophobicContact CG-CG2 4.09Å; P773-V776 WeakPolarHBondContact O-CB 3.44Å; P773-V776 PolarHBondContact O-N 3.4Å; V776-P778 VanDerWaalsContact O-CD 3.22Å; V776-P778 WeakPolarHBondContact O-CD 3.03Å; V776-K781 HydrophobicContact CG1-CG 4.43Å; V776-Y784 HydrophobicContact CG1-CD2 4Å; V776-Y784 HydrophobicContact CG1-CE2 4.09Å; V776-Y784 HydrophobicContact CG1-CG 4.42Å; V776-Y784 HydrophobicContact CG2-CD1 4.18Å; V776-Y784 HydrophobicContact CG2-CE1 4.37Å; V776-Y784 HydrophobicContact CG2-CG 4.31Å | ||
| 777 | N | 74.2 | Confident | 71.9 | Confident | 69 Ų | 69 | 85.8 Ų | 85.8 | 37% | 0.369 | 44% | 0.437 | S | S | . | . | trans | -71.4 | 115 | 171.2 | -175.1 | -25.5 | 0 | 0 | 0 | 110.6 | A779 K780 K781 Y784 | N777-A779 PolarHBondContact O-N 3.04Å; N777-A779 WeakPolarHBondContact OD1-CB 3.44Å; N777-A779 PolarHBondContact OD1-N 3.3Å; N777-K780 HydrophobicContact CB-CB 4.41Å; N777-K780 CarbonylContact O-C 3.54Å; N777-K780 PolarHBondContact O-N 3.11Å; N777-K781 PolarHBondContact O-N 3.42Å; N777-Y784 HydrophobicContact CB-CE2 4.14Å; N777-Y784 PolarHBondContact N-OH 3.25Å | ||
| 778 | P | 73.1 | Confident | 72.9 | Confident | 74 Ų | 74 | 87.5 Ų | 87.5 | 48% | 0.481 | 44% | 0.441 | S | S | . | . | G | 310 helix | trans | -62.7 | -26.8 | -177.1 | -22.6 | 34.5 | 0 | 0 | 0 | 113.8 | L772 V776 K780 K781 | L772-P778 HydrophobicContact CD1-CB 4.12Å; L772-P778 HydrophobicContact CD1-CG 4.11Å; V776-P778 VanDerWaalsContact O-CD 3.22Å; V776-P778 WeakPolarHBondContact O-CD 3.03Å; P778-K780 VanDerWaalsContact C-N 3.31Å; P778-K781 WeakPolarHBondContact O-CG 3.31Å |
| 779 | A | 71.4 | Confident | 74.2 | Confident | 58 Ų | 58 | 80.8 Ų | 80.8 | 48% | 0.479 | 41% | 0.412 | S | S | . | . | G | 310 helix | trans | -81.3 | -10.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N777 K813 | N777-A779 PolarHBondContact O-N 3.04Å; N777-A779 WeakPolarHBondContact OD1-CB 3.44Å; N777-A779 PolarHBondContact OD1-N 3.3Å; A779-K813 PolarHBondContact O-NZ 3.4Å |
| 780 | K | 78.3 | Confident | 75.8 | Confident | 110 Ų | 110 | 73.2 Ų | 73.2 | 48% | 0.478 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -136.8 | 39.5 | -176.1 | -62.4 | -170.1 | 179.1 | -177.4 | 0 | 112.5 | N777 P778 E782 N783 Y784 | N777-K780 HydrophobicContact CB-CB 4.41Å; N777-K780 CarbonylContact O-C 3.54Å; N777-K780 PolarHBondContact O-N 3.11Å; P778-K780 VanDerWaalsContact C-N 3.31Å; K780-E782 VanDerWaalsContact CA-OE2 3.27Å; K780-E782 WeakPolarHBondContact CA-OE2 3.5Å; K780-E782 PolarHBondContact O-N 3.32Å; K780-N783 WeakPolarHBondContact O-CB 3.27Å; K780-N783 PolarHBondContact O-N 3.48Å; K780-Y784 WeakPolarHBondContact O-CD2 3.29Å; K780-Y784 WeakPolarHBondContact O-CE2 3.34Å |
| 781 | K | 79.4 | Confident | 77 | Confident | 14 Ų | 14 | 70.3 Ų | 70.3 | 6% | 0.061 | 36% | 0.361 | C | S | . | . | G | 310 helix | trans | -55.5 | -32.7 | -177.8 | -69.1 | 172.3 | 173 | -163.8 | 0 | 113.3 | L764 V776 N777 P778 N783 Y784 L818 | L764-K781 WeakPolarHBondContact O-CD 3.44Å; L764-K781 PolarHBondContact O-NZ 3.5Å; V776-K781 HydrophobicContact CG1-CG 4.43Å; N777-K781 PolarHBondContact O-N 3.42Å; P778-K781 WeakPolarHBondContact O-CG 3.31Å; K781-N783 PolarHBondContact O-N 3.46Å; K781-Y784 PolarHBondContact O-N 3.24Å; K781-Y784 VanDerWaalsContact O-N 3.11Å; K781-L818 HydrophobicContact CB-CB 4.31Å; K781-L818 HydrophobicContact CB-CD2 3.88Å; K781-L818 HydrophobicContact CD-CD2 4.32Å |
| 782 | E | 81.2 | Confident | 78.1 | Confident | 14 Ų | 14 | 65.9 Ų | 65.9 | 7% | 0.065 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -59.6 | -26.2 | 178 | 73.5 | -78.1 | -166 | 0 | 0 | 113.6 | K780 Y784 L785 F790 F794 R798 F801 K813 | K780-E782 VanDerWaalsContact CA-OE2 3.27Å; K780-E782 WeakPolarHBondContact CA-OE2 3.5Å; K780-E782 PolarHBondContact O-N 3.32Å; E782-Y784 PolarHBondContact O-N 3.34Å; E782-L785 PolarHBondContact O-N 3.41Å; E782-F790 HydrophobicContact CB-CE2 3.92Å; E782-F790 HydrophobicContact CG-CE2 4.2Å; E782-F790 WeakPolarHBondContact O-CD2 3.25Å; E782-F794 HydrophobicContact CB-CE2 3.95Å; E782-F794 HydrophobicContact CB-CZ 4.07Å; E782-R798 PolarHBondContact O-NH2 3.01Å; E782-F801 HydrophobicContact CG-CE1 4.49Å; E782-K813 VanDerWaalsContact CD-CE 3.5Å; E782-K813 HydrophobicContact CG-CD 4.44Å; E782-K813 IonicContact OE1-NZ 2.72Å; E782-K813 PolarHBondContact OE1-NZ 2.67Å; E782-K813 WeakPolarHBondContact OE2-CE 3.4Å; E782-K813 IonicContact OE2-NZ 2.8Å; E782-K813 PolarHBondContact OE2-NZ 3Å |
| 783 | N | 80.8 | Confident | 78.7 | Confident | 80 Ų | 80 | 64.7 Ų | 64.7 | 43% | 0.428 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -70.9 | -17.6 | 179.4 | -70 | -9.7 | 0 | 0 | 0 | 112.8 | K780 K781 R798 | K780-N783 WeakPolarHBondContact O-CB 3.27Å; K780-N783 PolarHBondContact O-N 3.48Å; K781-N783 PolarHBondContact O-N 3.46Å; N783-R798 VanDerWaalsContact C-NH2 3.26Å; N783-R798 PolarHBondContact O-NH2 2.83Å |
| 784 | Y | 82.5 | Confident | 79.1 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 20% | 0.204 | 34% | 0.338 | C | S | . | . | G | 310 helix | trans | -98.8 | 4.8 | -177.9 | -56.7 | -90.1 | 0 | 0 | 0 | 113.3 | Y758 Y759 D775 V776 N777 K780 K781 E782 | Y758-Y784 CarbonylContact C-O 2.65Å; Y758-Y784 VanDerWaalsContact CA-O 3.23Å; Y758-Y784 WeakPolarHBondContact CA-O 3.48Å; Y759-Y784 HydrophobicContact CD2-CD1 4.39Å; Y759-Y784 HydrophobicContact CE2-CD1 4.46Å; Y759-Y784 PolarHBondContact N-O 3.3Å; D775-Y784 WeakPolarHBondContact O-CE1 3.28Å; D775-Y784 PolarHBondContact O-OH 3.41Å; V776-Y784 HydrophobicContact CG1-CD2 4Å; V776-Y784 HydrophobicContact CG1-CE2 4.09Å; V776-Y784 HydrophobicContact CG1-CG 4.42Å; V776-Y784 HydrophobicContact CG2-CD1 4.18Å; V776-Y784 HydrophobicContact CG2-CE1 4.37Å; V776-Y784 HydrophobicContact CG2-CG 4.31Å; N777-Y784 HydrophobicContact CB-CE2 4.14Å; N777-Y784 PolarHBondContact N-OH 3.25Å; K780-Y784 WeakPolarHBondContact O-CD2 3.29Å; K780-Y784 WeakPolarHBondContact O-CE2 3.34Å; K781-Y784 PolarHBondContact O-N 3.24Å; K781-Y784 VanDerWaalsContact O-N 3.11Å; E782-Y784 PolarHBondContact O-N 3.34Å |
| 785 | L | 79.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.322 | C | S | . | . | S | Bend | trans | -81.8 | 141.6 | 170 | -69.4 | 170.4 | 0 | 0 | 0 | 110.3 | Y758 I761 L764 E782 D789 F790 V793 F794 R798 L818 | Y758-L785 WeakPolarHBondContact CD1-O 3.35Å; Y758-L785 WeakPolarHBondContact CE1-O 3.43Å; I761-L785 HydrophobicContact CB-CD2 4.04Å; I761-L785 HydrophobicContact CG1-CD2 4.25Å; L764-L785 HydrophobicContact CD1-CD2 3.62Å; L764-L785 HydrophobicContact CD1-CG 3.87Å; E782-L785 PolarHBondContact O-N 3.41Å; L785-D789 HydrophobicContact CB-CB 4.21Å; L785-D789 HydrophobicContact CD2-CB 4.04Å; L785-F790 HydrophobicContact CB-CB 4.2Å; L785-F790 HydrophobicContact CB-CD2 4.43Å; L785-F790 HydrophobicContact CD1-CD2 4.35Å; L785-V793 HydrophobicContact CD1-CB 4.29Å; L785-V793 HydrophobicContact CD1-CG1 4.44Å; L785-V793 HydrophobicContact CD1-CG2 4.2Å; L785-F794 HydrophobicContact CD1-CE2 4.09Å; L785-R798 PolarHBondContact O-NH2 3.47Å; L785-L818 HydrophobicContact CD1-CD1 3.88Å |
| 786 | S | 81.8 | Confident | 80.2 | Confident | 25 Ų | 25 | 55.7 Ų | 55.7 | 18% | 0.175 | 32% | 0.316 | C | S | . | . | trans | -59.5 | 161.2 | 167.8 | 73.5 | 0 | 0 | 0 | 0 | 110.6 | Q788 D789 F790 | S786-Q788 PolarHBondContact O-N 2.87Å; S786-D789 PolarHBondContact O-N 3.37Å; S786-D789 WeakPolarHBondContact OG-CB 3.47Å; S786-D789 PolarHBondContact OG-N 3.27Å; S786-D789 VanDerWaalsContact OG-N 3.08Å; S786-D789 PolarHBondContact OG-OD2 2.73Å; S786-F790 VanDerWaalsContact O-CB 3.31Å; S786-F790 WeakPolarHBondContact O-CB 3.22Å; S786-F790 PolarHBondContact O-N 3Å | ||
| 787 | E | 76.9 | Confident | 80.6 | Confident | 139 Ų | 139 | 58.4 Ų | 58.4 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -55.7 | -39.6 | 175.6 | -98.3 | -163.4 | 150.7 | 0 | 0 | 112.3 | F790 V791 | E787-F790 PolarHBondContact O-N 2.95Å; E787-V791 WeakPolarHBondContact O-CG2 3.21Å; E787-V791 PolarHBondContact O-N 2.73Å |
| 788 | Q | 79.4 | Confident | 80.8 | Confident | 167 Ų | 167 | 58.3 Ų | 58.3 | 78% | 0.78 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -68 | -41.9 | 179.8 | -166.3 | 169.3 | 9.6 | 0 | 0 | 111.8 | S786 S792 | S786-Q788 PolarHBondContact O-N 2.87Å; Q788-S792 WeakPolarHBondContact O-CB 3.42Å; Q788-S792 PolarHBondContact O-N 3.03Å |
| 789 | D | 82.6 | Confident | 81 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 31% | 0.31 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | 175.7 | -64.5 | -44.7 | 0 | 0 | 0 | 111.6 | L785 S786 V791 S792 V793 | L785-D789 HydrophobicContact CB-CB 4.21Å; L785-D789 HydrophobicContact CD2-CB 4.04Å; S786-D789 PolarHBondContact O-N 3.37Å; S786-D789 WeakPolarHBondContact OG-CB 3.47Å; S786-D789 PolarHBondContact OG-N 3.27Å; S786-D789 VanDerWaalsContact OG-N 3.08Å; S786-D789 PolarHBondContact OG-OD2 2.73Å; D789-V791 PolarHBondContact O-N 3.09Å; D789-S792 WeakPolarHBondContact O-CB 3.39Å; D789-S792 PolarHBondContact O-N 2.77Å; D789-V793 WeakPolarHBondContact O-CB 3.4Å; D789-V793 WeakPolarHBondContact O-CG2 3.18Å; D789-V793 PolarHBondContact O-N 3.31Å |
| 790 | F | 87.4 | Confident | 81.2 | Confident | 4 Ų | 4 | 59.8 Ų | 59.8 | 2% | 0.018 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -60.8 | -46.7 | 177.4 | -168.3 | -78.4 | 0 | 0 | 0 | 111 | E782 L785 S786 E787 S792 V793 F794 R798 F801 | E782-F790 HydrophobicContact CB-CE2 3.92Å; E782-F790 HydrophobicContact CG-CE2 4.2Å; E782-F790 WeakPolarHBondContact O-CD2 3.25Å; L785-F790 HydrophobicContact CB-CB 4.2Å; L785-F790 HydrophobicContact CB-CD2 4.43Å; L785-F790 HydrophobicContact CD1-CD2 4.35Å; S786-F790 VanDerWaalsContact O-CB 3.31Å; S786-F790 WeakPolarHBondContact O-CB 3.22Å; S786-F790 PolarHBondContact O-N 3Å; E787-F790 PolarHBondContact O-N 2.95Å; F790-S792 VanDerWaalsContact C-N 3.35Å; F790-V793 PolarHBondContact O-N 3.29Å; F790-F794 AromaticContact CD1-CD2 3.94Å; F790-F794 HydrophobicContact CD1-CD2 3.94Å; F790-F794 AromaticContact CD2-CD2 4Å; F790-F794 HydrophobicContact CD2-CD2 4Å; F790-F794 HydrophobicContact CD2-CE2 4.06Å; F790-F794 HydrophobicContact CE1-CB 4.32Å; F790-F794 AromaticContact CE1-CD2 3.76Å; F790-F794 HydrophobicContact CE1-CD2 3.76Å; F790-F794 HydrophobicContact CE1-CG 4.32Å; F790-F794 AromaticContact CE2-CD2 3.85Å; F790-F794 HydrophobicContact CE2-CD2 3.85Å; F790-F794 AromaticContact CE2-CE2 3.79Å; F790-F794 HydrophobicContact CE2-CE2 3.79Å; F790-F794 HydrophobicContact CG-CD2 4.04Å; F790-F794 AromaticContact CZ-CD2 3.72Å; F790-F794 HydrophobicContact CZ-CD2 3.72Å; F790-F794 HydrophobicContact CZ-CE2 4.02Å; F790-F794 HydrophobicContact CZ-CG 4.45Å; F790-F794 PolarHBondContact O-N 3.4Å; F790-R798 HydrophobicContact CB-CG 4.28Å; F790-R798 HydrophobicContact CD1-CB 4.47Å; F790-R798 HydrophobicContact CD1-CG 3.57Å; F790-R798 HydrophobicContact CD2-CG 3.7Å; F790-R798 HydrophobicContact CE1-CB 4.33Å; F790-R798 HydrophobicContact CE1-CG 3.73Å; F790-R798 HydrophobicContact CE2-CG 3.83Å; F790-R798 HydrophobicContact CG-CG 3.57Å; F790-R798 HydrophobicContact CZ-CG 3.86Å; F790-F801 HydrophobicContact CE1-CB 3.81Å; F790-F801 HydrophobicContact CE1-CD2 4.45Å; F790-F801 HydrophobicContact CE1-CG 4.13Å; F790-F801 HydrophobicContact CZ-CB 3.76Å; F790-F801 AromaticContact CZ-CD1 3.88Å; F790-F801 HydrophobicContact CZ-CD1 3.88Å; F790-F801 HydrophobicContact CZ-CD2 4.06Å; F790-F801 HydrophobicContact CZ-CE1 4.5Å; F790-F801 AromaticContact CZ-CG 3.64Å; F790-F801 HydrophobicContact CZ-CG 3.64Å |
| 791 | V | 84.7 | Confident | 81.4 | Confident | 64 Ų | 64 | 55 Ų | 55 | 39% | 0.388 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -65.3 | -39.4 | 175.6 | 175.1 | 0 | 0 | 0 | 0 | 111 | E787 D789 V793 G795 T797 | E787-V791 WeakPolarHBondContact O-CG2 3.21Å; E787-V791 PolarHBondContact O-N 2.73Å; D789-V791 PolarHBondContact O-N 3.09Å; V791-V793 VanDerWaalsContact C-N 3.33Å; V791-V793 PolarHBondContact O-N 3.06Å; V791-G795 WeakPolarHBondContact O-CA 3.44Å; V791-G795 PolarHBondContact O-N 3.15Å; V791-T797 HydrophobicContact CG2-CG2 4.33Å |
| 792 | S | 83.9 | Confident | 81.3 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 71% | 0.706 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -62.1 | -38.4 | 175.5 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | Q788 D789 F790 | Q788-S792 WeakPolarHBondContact O-CB 3.42Å; Q788-S792 PolarHBondContact O-N 3.03Å; D789-S792 WeakPolarHBondContact O-CB 3.39Å; D789-S792 PolarHBondContact O-N 2.77Å; F790-S792 VanDerWaalsContact C-N 3.35Å |
| 793 | V | 83.6 | Confident | 81.1 | Confident | 12 Ų | 12 | 61 Ų | 61 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -78.1 | -47.4 | -177.1 | 172.1 | 0 | 0 | 0 | 0 | 112.7 | I761 L785 D789 F790 V791 K816 L818 | I761-V793 HydrophobicContact CB-CG2 4.47Å; I761-V793 HydrophobicContact CD1-CB 4.47Å; I761-V793 HydrophobicContact CD1-CG1 4.37Å; I761-V793 HydrophobicContact CD1-CG2 3.27Å; I761-V793 HydrophobicContact CG1-CG2 3.9Å; L785-V793 HydrophobicContact CD1-CB 4.29Å; L785-V793 HydrophobicContact CD1-CG1 4.44Å; L785-V793 HydrophobicContact CD1-CG2 4.2Å; D789-V793 WeakPolarHBondContact O-CB 3.4Å; D789-V793 WeakPolarHBondContact O-CG2 3.18Å; D789-V793 PolarHBondContact O-N 3.31Å; F790-V793 PolarHBondContact O-N 3.29Å; V791-V793 VanDerWaalsContact C-N 3.33Å; V791-V793 PolarHBondContact O-N 3.06Å; V793-K816 HydrophobicContact CG1-CB 3.98Å; V793-K816 HydrophobicContact CG1-CD 4.18Å; V793-K816 HydrophobicContact CG1-CG 3.94Å; V793-K816 WeakPolarHBondContact O-CD 3.44Å; V793-K816 WeakPolarHBondContact O-CE 3.5Å; V793-K816 PolarHBondContact O-NZ 2.87Å; V793-L818 HydrophobicContact CG1-CD1 3.98Å |
| 794 | F | 83.5 | Confident | 80.9 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 6% | 0.061 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -100.6 | -12.7 | -172.4 | -66.2 | -72.4 | 0 | 0 | 0 | 114 | E782 L785 F790 I796 F801 M812 K813 K816 L818 | E782-F794 HydrophobicContact CB-CE2 3.95Å; E782-F794 HydrophobicContact CB-CZ 4.07Å; L785-F794 HydrophobicContact CD1-CE2 4.09Å; F790-F794 AromaticContact CD1-CD2 3.94Å; F790-F794 HydrophobicContact CD1-CD2 3.94Å; F790-F794 AromaticContact CD2-CD2 4Å; F790-F794 HydrophobicContact CD2-CD2 4Å; F790-F794 HydrophobicContact CD2-CE2 4.06Å; F790-F794 HydrophobicContact CE1-CB 4.32Å; F790-F794 AromaticContact CE1-CD2 3.76Å; F790-F794 HydrophobicContact CE1-CD2 3.76Å; F790-F794 HydrophobicContact CE1-CG 4.32Å; F790-F794 AromaticContact CE2-CD2 3.85Å; F790-F794 HydrophobicContact CE2-CD2 3.85Å; F790-F794 AromaticContact CE2-CE2 3.79Å; F790-F794 HydrophobicContact CE2-CE2 3.79Å; F790-F794 HydrophobicContact CG-CD2 4.04Å; F790-F794 AromaticContact CZ-CD2 3.72Å; F790-F794 HydrophobicContact CZ-CD2 3.72Å; F790-F794 HydrophobicContact CZ-CE2 4.02Å; F790-F794 HydrophobicContact CZ-CG 4.45Å; F790-F794 PolarHBondContact O-N 3.4Å; F794-I796 HydrophobicContact CB-CG1 4.12Å; F794-I796 PolarHBondContact O-N 2.84Å; F794-F801 HydrophobicContact CD1-CD2 4.45Å; F794-F801 HydrophobicContact CD1-CE2 4.12Å; F794-F801 HydrophobicContact CE1-CE2 4.09Å; F794-F801 HydrophobicContact CZ-CE2 4.5Å; F794-M812 HydrophobicContact CB-CE 4.31Å; F794-M812 HydrophobicContact CD1-CB 4.17Å; F794-M812 HydrophobicContact CD1-CE 4.23Å; F794-M812 HydrophobicContact CE1-CB 4.22Å; F794-K813 HydrophobicContact CZ-CG 4.38Å; F794-K816 HydrophobicContact CD1-CG 4.18Å; F794-K816 HydrophobicContact CE1-CB 4.26Å; F794-K816 HydrophobicContact CE1-CG 3.98Å; F794-L818 HydrophobicContact CE2-CD1 3.99Å; F794-L818 HydrophobicContact CZ-CD1 3.68Å |
| 795 | G | 81.9 | Confident | 80.5 | Confident | 62 Ų | 62 | 60 Ų | 60 | 64% | 0.639 | 37% | 0.368 | S | S | * | . | S | Bend | trans | 71.1 | 3.2 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | V791 | V791-G795 WeakPolarHBondContact O-CA 3.44Å; V791-G795 PolarHBondContact O-N 3.15Å |
| 796 | I | 84.1 | Confident | 80.2 | Confident | 43 Ų | 43 | 62 Ų | 62 | 22% | 0.221 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -138.4 | 159.8 | -177.5 | 61.4 | 172.9 | 0 | 0 | 0 | 110.4 | F794 Q800 F801 L804 M812 | F794-I796 HydrophobicContact CB-CG1 4.12Å; F794-I796 PolarHBondContact O-N 2.84Å; I796-Q800 HydrophobicContact CB-CB 4.22Å; I796-Q800 HydrophobicContact CD1-CB 4.47Å; I796-F801 HydrophobicContact CD1-CB 4.02Å; I796-F801 HydrophobicContact CD1-CD2 4.23Å; I796-F801 HydrophobicContact CG1-CB 4.42Å; I796-L804 HydrophobicContact CD1-CD1 3.92Å; I796-M812 HydrophobicContact CD1-CE 3.93Å; I796-M812 HydrophobicContact CD1-SD 4.39Å; I796-M812 HydrophobicContact CG1-CE 4.34Å |
| 797 | T | 83.6 | Confident | 80 | Confident | 66 Ų | 66 | 69 Ų | 69 | 41% | 0.405 | 41% | 0.412 | S | S | . | . | trans | -75.6 | 160.4 | 178.8 | 69.4 | 0 | 0 | 0 | 0 | 112 | V791 G799 Q800 F801 | V791-T797 HydrophobicContact CG2-CG2 4.33Å; T797-G799 VanDerWaalsContact C-N 3.28Å; T797-G799 PolarHBondContact O-N 3.5Å; T797-Q800 VanDerWaalsContact N-OE1 3.16Å; T797-Q800 PolarHBondContact O-N 3.36Å; T797-Q800 VanDerWaalsContact O-N 3.12Å; T797-Q800 WeakPolarHBondContact OG1-CG 3.37Å; T797-Q800 PolarHBondContact OG1-N 3.34Å; T797-Q800 PolarHBondContact OG1-OE1 2.9Å; T797-F801 PolarHBondContact O-N 2.8Å | ||
| 798 | R | 78.4 | Confident | 80.1 | Confident | 68 Ų | 68 | 66.8 Ų | 66.8 | 26% | 0.257 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 176.1 | -76.1 | -179.8 | 168.1 | -146.8 | -5.9 | 112.7 | E782 N783 L785 F790 F801 A802 | E782-R798 PolarHBondContact O-NH2 3.01Å; N783-R798 VanDerWaalsContact C-NH2 3.26Å; N783-R798 PolarHBondContact O-NH2 2.83Å; L785-R798 PolarHBondContact O-NH2 3.47Å; F790-R798 HydrophobicContact CB-CG 4.28Å; F790-R798 HydrophobicContact CD1-CB 4.47Å; F790-R798 HydrophobicContact CD1-CG 3.57Å; F790-R798 HydrophobicContact CD2-CG 3.7Å; F790-R798 HydrophobicContact CE1-CB 4.33Å; F790-R798 HydrophobicContact CE1-CG 3.73Å; F790-R798 HydrophobicContact CE2-CG 3.83Å; F790-R798 HydrophobicContact CG-CG 3.57Å; F790-R798 HydrophobicContact CZ-CG 3.86Å; R798-F801 PolarHBondContact O-N 3.43Å; R798-A802 WeakPolarHBondContact O-CB 3.42Å; R798-A802 PolarHBondContact O-N 2.91Å |
| 799 | G | 76 | Confident | 80.2 | Confident | 54 Ų | 54 | 61.1 Ų | 61.1 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -63.4 | -40.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | T797 A803 | T797-G799 VanDerWaalsContact C-N 3.28Å; T797-G799 PolarHBondContact O-N 3.5Å; G799-A803 PolarHBondContact O-N 3.02Å |
| 800 | Q | 76.6 | Confident | 80.1 | Confident | 108 Ų | 108 | 61.9 Ų | 61.9 | 51% | 0.505 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -68.6 | -39.1 | 175 | -71.9 | 173.5 | -30.9 | 0 | 0 | 112.1 | I796 T797 A803 | I796-Q800 HydrophobicContact CB-CB 4.22Å; I796-Q800 HydrophobicContact CD1-CB 4.47Å; T797-Q800 VanDerWaalsContact N-OE1 3.16Å; T797-Q800 PolarHBondContact O-N 3.36Å; T797-Q800 VanDerWaalsContact O-N 3.12Å; T797-Q800 WeakPolarHBondContact OG1-CG 3.37Å; T797-Q800 PolarHBondContact OG1-N 3.34Å; T797-Q800 PolarHBondContact OG1-OE1 2.9Å; Q800-A803 PolarHBondContact O-N 3.32Å |
| 801 | F | 82.2 | Confident | 79.9 | Confident | 10 Ų | 10 | 66.2 Ų | 66.2 | 4% | 0.044 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -63.7 | -43.8 | 176.1 | -176.2 | -90 | 0 | 0 | 0 | 111.9 | E782 F790 F794 I796 T797 R798 A803 L804 Q809 M812 K813 | E782-F801 HydrophobicContact CG-CE1 4.49Å; F790-F801 HydrophobicContact CE1-CB 3.81Å; F790-F801 HydrophobicContact CE1-CD2 4.45Å; F790-F801 HydrophobicContact CE1-CG 4.13Å; F790-F801 HydrophobicContact CZ-CB 3.76Å; F790-F801 AromaticContact CZ-CD1 3.88Å; F790-F801 HydrophobicContact CZ-CD1 3.88Å; F790-F801 HydrophobicContact CZ-CD2 4.06Å; F790-F801 HydrophobicContact CZ-CE1 4.5Å; F790-F801 AromaticContact CZ-CG 3.64Å; F790-F801 HydrophobicContact CZ-CG 3.64Å; F794-F801 HydrophobicContact CD1-CD2 4.45Å; F794-F801 HydrophobicContact CD1-CE2 4.12Å; F794-F801 HydrophobicContact CE1-CE2 4.09Å; F794-F801 HydrophobicContact CZ-CE2 4.5Å; I796-F801 HydrophobicContact CD1-CB 4.02Å; I796-F801 HydrophobicContact CD1-CD2 4.23Å; I796-F801 HydrophobicContact CG1-CB 4.42Å; T797-F801 PolarHBondContact O-N 2.8Å; R798-F801 PolarHBondContact O-N 3.43Å; F801-A803 VanDerWaalsContact C-N 3.26Å; F801-A803 PolarHBondContact O-N 3.18Å; F801-L804 WeakPolarHBondContact O-CB 3.38Å; F801-L804 PolarHBondContact O-N 2.84Å; F801-L804 VanDerWaalsContact O-N 3.13Å; F801-Q809 HydrophobicContact CD1-CG 4.24Å; F801-Q809 HydrophobicContact CE1-CB 3.88Å; F801-Q809 HydrophobicContact CE1-CG 3.9Å; F801-Q809 HydrophobicContact CE2-CB 4.28Å; F801-Q809 HydrophobicContact CE2-CG 4.48Å; F801-Q809 HydrophobicContact CZ-CB 3.64Å; F801-Q809 HydrophobicContact CZ-CG 4.03Å; F801-Q809 WeakPolarHBondContact O-CG 3.23Å; F801-Q809 PolarHBondContact O-NE2 2.86Å; F801-Q809 VanDerWaalsContact O-NE2 3.16Å; F801-M812 HydrophobicContact CD2-SD 4.42Å; F801-M812 HydrophobicContact CE2-CB 4.15Å; F801-M812 HydrophobicContact CE2-SD 4.4Å; F801-K813 HydrophobicContact CZ-CD 4.26Å; F801-K813 HydrophobicContact CZ-CG 4.06Å |
| 802 | A | 76.4 | Confident | 79.9 | Confident | 69 Ų | 69 | 64.9 Ų | 64.9 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -64.5 | -29.2 | 178 | 0 | 0 | 0 | 0 | 0 | 113.2 | R798 L804 Q809 | R798-A802 WeakPolarHBondContact O-CB 3.42Å; R798-A802 PolarHBondContact O-N 2.91Å; A802-L804 VanDerWaalsContact C-N 3.28Å; A802-L804 PolarHBondContact O-N 2.94Å; A802-Q809 PolarHBondContact O-NE2 2.87Å |
| 803 | A | 76.8 | Confident | 80 | Confident | 85 Ų | 85 | 60.7 Ų | 60.7 | 70% | 0.702 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -9.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | G799 Q800 F801 | G799-A803 PolarHBondContact O-N 3.02Å; Q800-A803 PolarHBondContact O-N 3.32Å; F801-A803 VanDerWaalsContact C-N 3.26Å; F801-A803 PolarHBondContact O-N 3.18Å |
| 804 | L | 76.9 | Confident | 79.9 | Confident | 40 Ų | 40 | 66.2 Ų | 66.2 | 21% | 0.209 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -77.2 | 148 | 177.5 | -64 | 176.3 | 0 | 0 | 0 | 111.6 | I796 F801 A802 K808 Q809 M812 | I796-L804 HydrophobicContact CD1-CD1 3.92Å; F801-L804 WeakPolarHBondContact O-CB 3.38Å; F801-L804 PolarHBondContact O-N 2.84Å; F801-L804 VanDerWaalsContact O-N 3.13Å; A802-L804 VanDerWaalsContact C-N 3.28Å; A802-L804 PolarHBondContact O-N 2.94Å; L804-K808 HydrophobicContact CD1-CG 4.5Å; L804-K808 HydrophobicContact CD2-CD 4.28Å; L804-Q809 HydrophobicContact CB-CG 3.94Å; L804-Q809 PolarHBondContact O-NE2 3.48Å; L804-M812 HydrophobicContact CD1-SD 3.71Å |
| 805 | P | 74 | Confident | 79.9 | Confident | 70 Ų | 70 | 71.5 Ų | 71.5 | 46% | 0.455 | 41% | 0.405 | S | S | . | . | trans | -56 | 142 | 169.8 | -25.2 | 34.7 | 0 | 0 | 0 | 112 | W807 K808 Q809 | P805-W807 VanDerWaalsContact C-N 3.26Å; P805-W807 PolarHBondContact O-N 3.18Å; P805-W807 VanDerWaalsContact O-N 3.1Å; P805-K808 WeakPolarHBondContact O-CA 3.26Å; P805-K808 WeakPolarHBondContact O-CB 3.47Å; P805-K808 PolarHBondContact O-N 3.08Å; P805-Q809 PolarHBondContact O-N 2.85Å | ||
| 806 | G | 74.5 | Confident | 79.9 | Confident | 44 Ų | 44 | 73 Ų | 73 | 45% | 0.454 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -55.4 | -34.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | K808 Q809 L810 | G806-K808 VanDerWaalsContact C-N 3.28Å; G806-K808 PolarHBondContact O-N 3.01Å; G806-Q809 PolarHBondContact O-N 2.96Å; G806-L810 WeakPolarHBondContact O-CD1 3.4Å; G806-L810 WeakPolarHBondContact O-CG 3.24Å; G806-L810 PolarHBondContact O-N 3.21Å |
| 807 | W | 77.6 | Confident | 79.6 | Confident | 171 Ų | 171 | 72.5 Ų | 72.5 | 65% | 0.648 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.9 | -33 | 175.8 | 69 | -96.7 | 0 | 0 | 0 | 112.9 | P805 Q811 | P805-W807 VanDerWaalsContact C-N 3.26Å; P805-W807 PolarHBondContact O-N 3.18Å; P805-W807 VanDerWaalsContact O-N 3.1Å; W807-Q811 PolarHBondContact O-N 3.04Å; W807-Q811 VanDerWaalsContact O-N 3.09Å |
| 808 | K | 77.1 | Confident | 79.3 | Confident | 93 Ų | 93 | 69.4 Ų | 69.4 | 40% | 0.404 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -78.6 | -36.8 | -179.7 | -164.8 | 167.8 | 179.8 | 179.3 | 0 | 111.3 | L804 P805 G806 L810 Q811 M812 | L804-K808 HydrophobicContact CD1-CG 4.5Å; L804-K808 HydrophobicContact CD2-CD 4.28Å; P805-K808 WeakPolarHBondContact O-CA 3.26Å; P805-K808 WeakPolarHBondContact O-CB 3.47Å; P805-K808 PolarHBondContact O-N 3.08Å; G806-K808 VanDerWaalsContact C-N 3.28Å; G806-K808 PolarHBondContact O-N 3.01Å; K808-L810 VanDerWaalsContact C-N 3.35Å; K808-Q811 PolarHBondContact O-N 3.19Å; K808-M812 WeakPolarHBondContact O-CG 3.36Å; K808-M812 PolarHBondContact O-N 2.88Å; K808-M812 VanDerWaalsContact O-N 3.09Å |
| 809 | Q | 81.8 | Confident | 79.1 | Confident | 47 Ų | 47 | 72.3 Ų | 72.3 | 22% | 0.22 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 169.8 | -62.8 | -176.7 | 21.9 | 0 | 0 | 111.2 | F801 A802 L804 P805 G806 Q811 M812 K813 | F801-Q809 HydrophobicContact CD1-CG 4.24Å; F801-Q809 HydrophobicContact CE1-CB 3.88Å; F801-Q809 HydrophobicContact CE1-CG 3.9Å; F801-Q809 HydrophobicContact CE2-CB 4.28Å; F801-Q809 HydrophobicContact CE2-CG 4.48Å; F801-Q809 HydrophobicContact CZ-CB 3.64Å; F801-Q809 HydrophobicContact CZ-CG 4.03Å; F801-Q809 WeakPolarHBondContact O-CG 3.23Å; F801-Q809 PolarHBondContact O-NE2 2.86Å; F801-Q809 VanDerWaalsContact O-NE2 3.16Å; A802-Q809 PolarHBondContact O-NE2 2.87Å; L804-Q809 HydrophobicContact CB-CG 3.94Å; L804-Q809 PolarHBondContact O-NE2 3.48Å; P805-Q809 PolarHBondContact O-N 2.85Å; G806-Q809 PolarHBondContact O-N 2.96Å; Q809-Q811 PolarHBondContact O-N 3.08Å; Q809-M812 PolarHBondContact O-N 2.94Å; Q809-K813 WeakPolarHBondContact O-CG 3.5Å; Q809-K813 PolarHBondContact O-N 3.23Å |
| 810 | L | 81.1 | Confident | 79.2 | Confident | 75 Ų | 75 | 73.3 Ų | 73.3 | 39% | 0.393 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.5 | -82 | 157.5 | 0 | 0 | 0 | 112.7 | G806 K808 K813 K814 F819 | G806-L810 WeakPolarHBondContact O-CD1 3.4Å; G806-L810 WeakPolarHBondContact O-CG 3.24Å; G806-L810 PolarHBondContact O-N 3.21Å; K808-L810 VanDerWaalsContact C-N 3.35Å; L810-K813 PolarHBondContact O-N 3.07Å; L810-K814 WeakPolarHBondContact O-CG 3.21Å; L810-K814 PolarHBondContact O-N 2.92Å; L810-F819 HydrophobicContact CD2-CD2 3.69Å; L810-F819 HydrophobicContact CD2-CE2 3.3Å; L810-F819 HydrophobicContact CD2-CZ 4.37Å |
| 811 | Q | 84.2 | Confident | 79.4 | Confident | 94 Ų | 94 | 71.4 Ų | 71.4 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.2 | -48 | 177.2 | -176.7 | 179.9 | -9.5 | 0 | 0 | 111.7 | W807 K808 Q809 K813 K814 E815 | W807-Q811 PolarHBondContact O-N 3.04Å; W807-Q811 VanDerWaalsContact O-N 3.09Å; K808-Q811 PolarHBondContact O-N 3.19Å; Q809-Q811 PolarHBondContact O-N 3.08Å; Q811-K813 VanDerWaalsContact C-N 3.3Å; Q811-K813 PolarHBondContact O-N 2.95Å; Q811-K814 PolarHBondContact O-N 3.08Å; Q811-E815 PolarHBondContact NE2-OE1 3.12Å; Q811-E815 VanDerWaalsContact NE2-OE1 3.12Å; Q811-E815 WeakPolarHBondContact O-CG 3.45Å; Q811-E815 PolarHBondContact O-N 3.2Å |
| 812 | M | 84.4 | Confident | 79.2 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 18% | 0.177 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -62.5 | -37.3 | 178.9 | -68.6 | -179.8 | 77.2 | 0 | 0 | 112.1 | F794 I796 F801 L804 K808 Q809 E815 K816 | F794-M812 HydrophobicContact CB-CE 4.31Å; F794-M812 HydrophobicContact CD1-CB 4.17Å; F794-M812 HydrophobicContact CD1-CE 4.23Å; F794-M812 HydrophobicContact CE1-CB 4.22Å; I796-M812 HydrophobicContact CD1-CE 3.93Å; I796-M812 HydrophobicContact CD1-SD 4.39Å; I796-M812 HydrophobicContact CG1-CE 4.34Å; F801-M812 HydrophobicContact CD2-SD 4.42Å; F801-M812 HydrophobicContact CE2-CB 4.15Å; F801-M812 HydrophobicContact CE2-SD 4.4Å; L804-M812 HydrophobicContact CD1-SD 3.71Å; K808-M812 WeakPolarHBondContact O-CG 3.36Å; K808-M812 PolarHBondContact O-N 2.88Å; K808-M812 VanDerWaalsContact O-N 3.09Å; Q809-M812 PolarHBondContact O-N 2.94Å; M812-E815 PolarHBondContact O-N 3.3Å; M812-K816 WeakPolarHBondContact O-CG 3.18Å; M812-K816 PolarHBondContact O-N 3.02Å |
| 813 | K | 85.4 | Confident | 79.4 | Confident | 14 Ų | 14 | 75.2 Ų | 75.2 | 6% | 0.061 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.2 | -74.3 | 174.7 | 61.1 | 163.4 | 0 | 112.3 | A779 E782 F794 F801 Q809 L810 Q811 K816 G817 L818 F819 | A779-K813 PolarHBondContact O-NZ 3.4Å; E782-K813 VanDerWaalsContact CD-CE 3.5Å; E782-K813 HydrophobicContact CG-CD 4.44Å; E782-K813 IonicContact OE1-NZ 2.72Å; E782-K813 PolarHBondContact OE1-NZ 2.67Å; E782-K813 WeakPolarHBondContact OE2-CE 3.4Å; E782-K813 IonicContact OE2-NZ 2.8Å; E782-K813 PolarHBondContact OE2-NZ 3Å; F794-K813 HydrophobicContact CZ-CG 4.38Å; F801-K813 HydrophobicContact CZ-CD 4.26Å; F801-K813 HydrophobicContact CZ-CG 4.06Å; Q809-K813 WeakPolarHBondContact O-CG 3.5Å; Q809-K813 PolarHBondContact O-N 3.23Å; L810-K813 PolarHBondContact O-N 3.07Å; Q811-K813 VanDerWaalsContact C-N 3.3Å; Q811-K813 PolarHBondContact O-N 2.95Å; K813-K816 CarbonylContact O-C 3.5Å; K813-K816 PolarHBondContact O-N 3.45Å; K813-G817 PolarHBondContact O-N 2.93Å; K813-G817 VanDerWaalsContact O-N 3.11Å; K813-L818 VanDerWaalsContact CE-O 3.23Å; K813-L818 WeakPolarHBondContact CE-O 3.32Å; K813-L818 PolarHBondContact O-N 3.04Å; K813-F819 HydrophobicContact CB-CB 4.19Å; K813-F819 PolarHBondContact O-N 2.68Å |
| 814 | K | 81.1 | Confident | 79.5 | Confident | 127 Ų | 127 | 74.6 Ų | 74.6 | 55% | 0.552 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.1 | -44.8 | 177 | -74.3 | 176.4 | 179.2 | -176.8 | 0 | 111.8 | L810 Q811 K816 G817 F819 | L810-K814 WeakPolarHBondContact O-CG 3.21Å; L810-K814 PolarHBondContact O-N 2.92Å; Q811-K814 PolarHBondContact O-N 3.08Å; K814-K816 PolarHBondContact O-N 3.22Å; K814-G817 PolarHBondContact O-N 3.47Å; K814-F819 HydrophobicContact CB-CB 4.3Å; K814-F819 HydrophobicContact CD-CD1 4.24Å; K814-F819 HydrophobicContact CD-CG 4.32Å; K814-F819 VanDerWaalsContact CE-CE1 3.47Å; K814-F819 HydrophobicContact CG-CB 3.49Å; K814-F819 VanDerWaalsContact CG-CB 3.49Å; K814-F819 HydrophobicContact CG-CD1 3.73Å; K814-F819 HydrophobicContact CG-CD2 4.18Å; K814-F819 HydrophobicContact CG-CG 3.5Å |
| 815 | E | 83.6 | Confident | 79.7 | Confident | 126 Ų | 126 | 76.9 Ų | 76.9 | 59% | 0.589 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -60 | -29.4 | 177.5 | -74 | 172.7 | -169.9 | 0 | 0 | 112.8 | Q811 M812 | Q811-E815 PolarHBondContact NE2-OE1 3.12Å; Q811-E815 VanDerWaalsContact NE2-OE1 3.12Å; Q811-E815 WeakPolarHBondContact O-CG 3.45Å; Q811-E815 PolarHBondContact O-N 3.2Å; M812-E815 PolarHBondContact O-N 3.3Å |
| 816 | K | 83 | Confident | 80.1 | Confident | 94 Ų | 94 | 77.4 Ų | 77.4 | 41% | 0.409 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | 6.3 | -179.3 | -57.9 | -63.9 | 175 | 161.9 | 0 | 113.9 | L765 V793 F794 M812 K813 K814 L818 | L765-K816 WeakPolarHBondContact CD2-O 3.22Å; V793-K816 HydrophobicContact CG1-CB 3.98Å; V793-K816 HydrophobicContact CG1-CD 4.18Å; V793-K816 HydrophobicContact CG1-CG 3.94Å; V793-K816 WeakPolarHBondContact O-CD 3.44Å; V793-K816 WeakPolarHBondContact O-CE 3.5Å; V793-K816 PolarHBondContact O-NZ 2.87Å; F794-K816 HydrophobicContact CD1-CG 4.18Å; F794-K816 HydrophobicContact CE1-CB 4.26Å; F794-K816 HydrophobicContact CE1-CG 3.98Å; M812-K816 WeakPolarHBondContact O-CG 3.18Å; M812-K816 PolarHBondContact O-N 3.02Å; K813-K816 CarbonylContact O-C 3.5Å; K813-K816 PolarHBondContact O-N 3.45Å; K814-K816 PolarHBondContact O-N 3.22Å; K816-L818 HydrophobicContact CB-CD1 4.38Å; K816-L818 PolarHBondContact O-N 3.1Å |
| 817 | G | 76.7 | Confident | 80.5 | Confident | 32 Ų | 32 | 79.9 Ų | 79.9 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.8 | 21.1 | 179 | 0 | 0 | 0 | 0 | 0 | 114.7 | K813 K814 | K813-G817 PolarHBondContact O-N 2.93Å; K813-G817 VanDerWaalsContact O-N 3.11Å; K814-G817 PolarHBondContact O-N 3.47Å |
| 818 | L | 77.7 | Confident | 80.8 | Confident | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.345 | C | S | . | . | trans | -107.7 | 16 | -179.1 | -64.7 | 172.9 | 0 | 0 | 0 | 112.5 | L764 L765 K781 L785 V793 F794 K813 K816 | L764-L818 HydrophobicContact CB-CD2 3.82Å; L765-L818 HydrophobicContact CD2-CD2 4.4Å; K781-L818 HydrophobicContact CB-CB 4.31Å; K781-L818 HydrophobicContact CB-CD2 3.88Å; K781-L818 HydrophobicContact CD-CD2 4.32Å; L785-L818 HydrophobicContact CD1-CD1 3.88Å; V793-L818 HydrophobicContact CG1-CD1 3.98Å; F794-L818 HydrophobicContact CE2-CD1 3.99Å; F794-L818 HydrophobicContact CZ-CD1 3.68Å; K813-L818 VanDerWaalsContact CE-O 3.23Å; K813-L818 WeakPolarHBondContact CE-O 3.32Å; K813-L818 PolarHBondContact O-N 3.04Å; K816-L818 HydrophobicContact CB-CD1 4.38Å; K816-L818 PolarHBondContact O-N 3.1Å | ||
| 819 | F | 73.4 | Confident | 81.1 | Confident | 130 Ų | 130 | 70.5 Ų | 70.5 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | trans | -95.2 | 0 | 174.6 | 179.2 | -103.6 | 0 | 0 | 0 | 112 | L810 K813 K814 | L810-F819 HydrophobicContact CD2-CD2 3.69Å; L810-F819 HydrophobicContact CD2-CE2 3.3Å; L810-F819 HydrophobicContact CD2-CZ 4.37Å; K813-F819 HydrophobicContact CB-CB 4.19Å; K813-F819 PolarHBondContact O-N 2.68Å; K814-F819 HydrophobicContact CB-CB 4.3Å; K814-F819 HydrophobicContact CD-CD1 4.24Å; K814-F819 HydrophobicContact CD-CG 4.32Å; K814-F819 VanDerWaalsContact CE-CE1 3.47Å; K814-F819 HydrophobicContact CG-CB 3.49Å; K814-F819 VanDerWaalsContact CG-CB 3.49Å; K814-F819 HydrophobicContact CG-CD1 3.73Å; K814-F819 HydrophobicContact CG-CD2 4.18Å; K814-F819 HydrophobicContact CG-CG 3.5Å |
Retrieved 819 of 819 residues in 590.7 ms
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