| 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 | 34.6 | Very low | 71.9 | Confident | 233 Ų | 233 | 69.7 Ų | 69.7 | 100% | 1.148 | 38% | 0.38 | S | S | * | . | 0 | 119.3 | 0 | -68.9 | 173.5 | -150.6 | 0 | 0 | 106.7 | Q3 | M1-Q3 PolarHBondContact O-N 3.25Å; M1-Q3 VanDerWaalsContact O-N 3.13Å | |||
| 2 | A | 42.6 | Very low | 73.4 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 81% | 0.81 | 35% | 0.349 | S | S | * | . | trans | -50.5 | 123.5 | 161 | 0 | 0 | 0 | 0 | 0 | 106.2 | S4 | A2-S4 PolarHBondContact O-N 3.01Š| ||
| 3 | Q | 51.5 | Low | 74.3 | Confident | 157 Ų | 157 | 59 Ų | 59 | 73% | 0.734 | 32% | 0.322 | S | S | * | . | trans | -56 | 108.2 | 177.2 | -76.8 | 178.1 | -15 | 0 | 0 | 106.3 | M1 I5 | M1-Q3 PolarHBondContact O-N 3.25Å; M1-Q3 VanDerWaalsContact O-N 3.13Å; Q3-I5 PolarHBondContact O-N 3.13Å | ||
| 4 | S | 62.2 | Low | 74.8 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 66% | 0.657 | 30% | 0.301 | S | S | * | . | trans | -64.2 | 108.3 | -179.3 | 55.4 | 0 | 0 | 0 | 0 | 107 | A2 F6 | A2-S4 PolarHBondContact O-N 3.01Å; S4-F6 PolarHBondContact O-N 3.37Å | ||
| 5 | I | 73.6 | Confident | 74.5 | Confident | 94 Ų | 94 | 53.5 Ų | 53.5 | 48% | 0.482 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -61.3 | 120.7 | 178.1 | -58.8 | 171.9 | 0 | 0 | 0 | 107.6 | Q3 R43 | Q3-I5 PolarHBondContact O-N 3.13Å; I5-R43 HydrophobicContact CG2-CB 3.61Å |
| 6 | F | 77.9 | Confident | 73.8 | Confident | 17 Ų | 17 | 55.9 Ų | 55.9 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 124.2 | -173.7 | 176.4 | -108.7 | 0 | 0 | 0 | 111.5 | S4 V8 V41 I42 R43 F74 F302 L313 F317 | S4-F6 PolarHBondContact O-N 3.37Å; F6-V8 HydrophobicContact CD1-CG2 3.63Å; F6-V8 HydrophobicContact CE1-CG2 3.64Å; F6-V41 WeakPolarHBondContact CB-O 3.45Å; F6-V41 PolarHBondContact N-O 2.86Å; F6-I42 HydrophobicContact CB-CG2 4.35Å; F6-I42 HydrophobicContact CD1-CG2 4.14Å; F6-I42 CarbonylContact O-C 3.51Å; F6-I42 VanDerWaalsContact O-CA 3.26Å; F6-I42 WeakPolarHBondContact O-CA 3.29Å; F6-R43 PolarHBondContact O-N 3.15Å; F6-F74 HydrophobicContact CE1-CE2 4.04Å; F6-F74 HydrophobicContact CE2-CE2 4.42Å; F6-F74 HydrophobicContact CZ-CD2 4.43Å; F6-F74 AromaticContact CZ-CE2 3.45Å; F6-F74 HydrophobicContact CZ-CE2 3.45Å; F6-F74 VanDerWaalsContact CZ-CE2 3.45Å; F6-F74 AromaticContact CZ-CZ 3.78Å; F6-F74 HydrophobicContact CZ-CZ 3.78Å; F6-F302 AromaticContact CE1-CD1 3.96Å; F6-F302 HydrophobicContact CE1-CD1 3.96Å; F6-F302 HydrophobicContact CE1-CE1 4.33Å; F6-L313 HydrophobicContact CD1-CD1 4.08Å; F6-L313 HydrophobicContact CD2-CB 4.1Å; F6-L313 HydrophobicContact CE1-CB 3.97Å; F6-L313 HydrophobicContact CE1-CD1 3.67Å; F6-L313 HydrophobicContact CE1-CD2 4.08Å; F6-L313 HydrophobicContact CE1-CG 4.12Å; F6-L313 HydrophobicContact CE2-CB 3.56Å; F6-L313 VanDerWaalsContact CE2-O 3.32Å; F6-L313 WeakPolarHBondContact CE2-O 3.49Å; F6-L313 HydrophobicContact CZ-CB 3.48Å; F6-L313 VanDerWaalsContact CZ-CB 3.48Å; F6-L313 HydrophobicContact CZ-CD1 4.04Å; F6-L313 HydrophobicContact CZ-CD2 3.83Å; F6-L313 HydrophobicContact CZ-CG 3.97Å; F6-F317 HydrophobicContact CE2-CD2 4.26Å |
| 7 | R | 84.2 | Confident | 72.9 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.5 | 128.9 | 178.8 | -65 | 175.8 | -175.7 | -169.8 | 9.6 | 110.8 | P9 R43 E45 F317 E320 | R7-P9 WeakPolarHBondContact O-CD 3.38Å; R7-R43 CarbonylContact C-O 3.5Å; R7-R43 WeakPolarHBondContact CA-O 3.38Å; R7-E45 WeakPolarHBondContact CD-OE1 3.46Å; R7-E45 WeakPolarHBondContact CG-OE1 3.4Å; R7-E45 IonicContact NE-OE1 3.13Å; R7-F317 HydrophobicContact CB-CE2 4.43Å; R7-F317 HydrophobicContact CB-CZ 4.31Å; R7-F317 WeakPolarHBondContact O-CE2 3.46Å; R7-E320 IonicContact CZ-OE1 3.78Å; R7-E320 IonicContact NH1-OE1 3.6Å; R7-E320 PolarHBondContact NH1-OE1 3.11Å; R7-E320 IonicContact NH2-OE1 2.65Å; R7-E320 PolarHBondContact NH2-OE1 3.13Å |
| 8 | V | 89 | Confident | 71.8 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 90.5 | 179.1 | -173.4 | 0 | 0 | 0 | 0 | 108.6 | F6 I10 I42 R43 L44 E45 F74 V298 F302 | F6-V8 HydrophobicContact CD1-CG2 3.63Å; F6-V8 HydrophobicContact CE1-CG2 3.64Å; V8-I10 HydrophobicContact CG1-CG1 4.2Å; V8-I42 HydrophobicContact CG2-CB 4.03Å; V8-I42 HydrophobicContact CG2-CD1 4.47Å; V8-I42 HydrophobicContact CG2-CG2 4.38Å; V8-R43 PolarHBondContact N-O 3.05Å; V8-L44 HydrophobicContact CB-CD2 3.82Å; V8-L44 HydrophobicContact CG1-CD2 4.17Å; V8-L44 HydrophobicContact CG2-CD2 4.23Å; V8-E45 PolarHBondContact O-N 2.84Å; V8-F74 HydrophobicContact CG1-CD2 4.32Å; V8-V298 HydrophobicContact CG1-CG1 4.38Å; V8-F302 HydrophobicContact CG1-CD1 3.93Å; V8-F302 HydrophobicContact CG1-CD2 3.69Å; V8-F302 HydrophobicContact CG1-CE1 3.99Å; V8-F302 HydrophobicContact CG1-CE2 3.77Å; V8-F302 HydrophobicContact CG1-CG 3.78Å; V8-F302 HydrophobicContact CG1-CZ 3.93Å; V8-F302 HydrophobicContact CG2-CB 4.05Å; V8-F302 HydrophobicContact CG2-CD1 3.89Å; V8-F302 HydrophobicContact CG2-CG 3.92Å |
| 9 | P | 90.9 | Very high | 71.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.9 | 128.5 | 173.4 | 30.6 | -39.7 | 0 | 0 | 0 | 111.1 | R7 E45 G72 V73 F74 F317 F322 | R7-P9 WeakPolarHBondContact O-CD 3.38Å; P9-E45 CarbonylContact C-O 3.45Å; P9-E45 VanDerWaalsContact CA-O 3.3Å; P9-E45 WeakPolarHBondContact CA-O 3.37Å; P9-G72 WeakPolarHBondContact CB-O 3.43Å; P9-G72 WeakPolarHBondContact CG-O 3.4Å; P9-V73 HydrophobicContact CB-CG1 4.25Å; P9-F74 HydrophobicContact CG-CD2 3.89Å; P9-F74 HydrophobicContact CG-CE2 4.13Å; P9-F74 PolarHBondContact O-N 2.78Å; P9-F317 HydrophobicContact CG-CE2 3.94Å; P9-F317 HydrophobicContact CG-CZ 3.66Å; P9-F322 HydrophobicContact CG-CD2 4.27Å; P9-F322 HydrophobicContact CG-CE2 4.45Å |
| 10 | I | 92.8 | Very high | 71.3 | Confident | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 124.3 | -178.5 | -61.4 | 165.7 | 0 | 0 | 0 | 107.8 | V8 L44 E45 T46 R47 T75 L77 M295 V298 | V8-I10 HydrophobicContact CG1-CG1 4.2Å; I10-L44 HydrophobicContact CD1-CB 4.38Å; I10-L44 HydrophobicContact CD1-CD1 4.49Å; I10-L44 HydrophobicContact CD1-CD2 4.06Å; I10-E45 PolarHBondContact N-O 3.37Å; I10-T46 CarbonylContact O-C 3.59Å; I10-T46 WeakPolarHBondContact O-CA 3.35Å; I10-R47 PolarHBondContact O-N 3.32Å; I10-T75 HydrophobicContact CB-CG2 4.37Å; I10-T75 HydrophobicContact CG1-CG2 3.92Å; I10-T75 HydrophobicContact CG2-CG2 4Å; I10-L77 HydrophobicContact CG2-CB 4.25Å; I10-L77 HydrophobicContact CG2-CD1 3.43Å; I10-L77 VanDerWaalsContact CG2-CD1 3.43Å; I10-L77 HydrophobicContact CG2-CG 3.51Å; I10-M295 HydrophobicContact CD1-CE 3.91Å; I10-M295 HydrophobicContact CD1-SD 4.08Å; I10-V298 HydrophobicContact CD1-CB 4.43Å; I10-V298 HydrophobicContact CD1-CG1 3.63Å; I10-V298 HydrophobicContact CG1-CG1 4.13Å |
| 11 | G | 91.6 | Very high | 71.8 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 115.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 109.8 | R47 T75 L76 L77 | G11-R47 CarbonylContact C-O 3.54Å; G11-T75 PolarHBondContact N-O 3.36Å; G11-L76 CarbonylContact O-C 3.51Å; G11-L76 WeakPolarHBondContact O-CA 3.42Å; G11-L77 PolarHBondContact O-N 3.39Å |
| 12 | A | 90.2 | Very high | 74.2 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | F14 L26 R47 K48 G49 L77 | A12-F14 HydrophobicContact CB-CE2 3.69Å; A12-F14 HydrophobicContact CB-CZ 4.19Å; A12-L26 HydrophobicContact CB-CD2 3.64Å; A12-R47 PolarHBondContact N-O 3.08Å; A12-K48 CarbonylContact O-C 3.04Å; A12-K48 WeakPolarHBondContact O-CA 3.39Å; A12-G49 PolarHBondContact O-N 3.23Å; A12-L77 CarbonylContact C-O 3.5Å; A12-L77 VanDerWaalsContact CA-O 3.23Å; A12-L77 WeakPolarHBondContact CA-O 3.49Å; A12-L77 HydrophobicContact CB-CB 4.27Å |
| 13 | V | 85.5 | Confident | 76.3 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 132.9 | -177.8 | -177.8 | 0 | 0 | 0 | 0 | 111 | G49 I51 L64 L68 L77 G78 F88 | V13-G49 CarbonylContact C-O 3.57Å; V13-G49 WeakPolarHBondContact CA-O 3.44Å; V13-I51 HydrophobicContact CG1-CD1 3.48Å; V13-I51 VanDerWaalsContact CG1-CD1 3.48Å; V13-I51 HydrophobicContact CG1-CG1 3.97Å; V13-L64 HydrophobicContact CG1-CD2 3.94Å; V13-L68 HydrophobicContact CG2-CD1 3.35Å; V13-L77 PolarHBondContact N-O 3.09Å; V13-G78 VanDerWaalsContact O-CA 3.31Å; V13-G78 WeakPolarHBondContact O-CA 3.36Å; V13-F88 HydrophobicContact CB-CZ 3.98Å; V13-F88 HydrophobicContact CG1-CE2 4.32Å; V13-F88 HydrophobicContact CG1-CZ 3.89Å; V13-F88 HydrophobicContact CG2-CE1 4.01Å; V13-F88 HydrophobicContact CG2-CZ 3.72Å |
| 14 | F | 80.5 | Confident | 78 | Confident | 7 Ų | 7 | 38 Ų | 38 | 3% | 0.031 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 153.8 | -173.8 | -67.4 | -73.6 | 0 | 0 | 0 | 110.9 | A12 V18 L22 L23 L26 G49 I50 I51 W102 | A12-F14 HydrophobicContact CB-CE2 3.69Å; A12-F14 HydrophobicContact CB-CZ 4.19Å; F14-V18 HydrophobicContact CB-CB 4.48Å; F14-V18 HydrophobicContact CB-CG2 3.93Å; F14-V18 HydrophobicContact CD1-CG1 4.17Å; F14-V18 HydrophobicContact CD1-CG2 4.2Å; F14-L22 HydrophobicContact CD1-CB 4.43Å; F14-L22 HydrophobicContact CE1-CB 4.03Å; F14-L23 HydrophobicContact CD2-CD1 4.49Å; F14-L23 HydrophobicContact CE2-CD1 4.16Å; F14-L26 HydrophobicContact CE2-CD2 3.71Å; F14-L26 HydrophobicContact CZ-CB 4.29Å; F14-L26 HydrophobicContact CZ-CD2 3.65Å; F14-L26 HydrophobicContact CZ-CG 4.4Å; F14-G49 PolarHBondContact N-O 3.31Å; F14-I50 CarbonylContact O-C 3.46Å; F14-I50 WeakPolarHBondContact O-CA 3.3Å; F14-I51 PolarHBondContact O-N 3.3Å; F14-W102 HydrophobicContact CD1-CZ2 4.45Å; F14-W102 HydrophobicContact CE1-CH2 4.2Å; F14-W102 HydrophobicContact CE1-CZ2 4.01Å; F14-W102 HydrophobicContact CZ-CH2 4.43Å |
| 15 | H | 71 | Confident | 79.3 | Confident | 29 Ų | 29 | 33.6 Ų | 33.6 | 13% | 0.134 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 160.1 | 170.3 | -166 | -101.2 | 0 | 0 | 0 | 111.3 | E17 V18 I51 | H15-E17 VanDerWaalsContact C-N 3.3Å; H15-E17 WeakPolarHBondContact ND1-CB 3.33Å; H15-E17 PolarHBondContact ND1-N 3.05Å; H15-E17 PolarHBondContact O-N 3.26Å; H15-V18 HydrophobicContact CB-CG2 4.08Å; H15-V18 VanDerWaalsContact N-CG2 3.32Å; H15-V18 WeakPolarHBondContact O-CB 3.1Å; H15-V18 WeakPolarHBondContact O-CG2 3.14Å; H15-V18 PolarHBondContact O-N 3.27Å; H15-V18 VanDerWaalsContact O-N 3.1Å; H15-I51 CarbonylContact C-O 3.55Å |
| 16 | D | 63.3 | Low | 80.2 | Confident | 91 Ų | 91 | 29.1 Ų | 29.1 | 49% | 0.487 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | -33.9 | 178.7 | -138.6 | -1.3 | 0 | 0 | 0 | 112.3 | V18 I51 R52 A53 | D16-V18 PolarHBondContact O-N 3.45Å; D16-V18 VanDerWaalsContact O-N 3.08Å; D16-I51 WeakPolarHBondContact CB-O 3.11Å; D16-I51 PolarHBondContact N-O 3.27Å; D16-R52 WeakPolarHBondContact OD2-CA 3.16Å; D16-A53 HydrophobicContact CB-CB 4.45Å |
| 17 | E | 57.3 | Low | 80.8 | Confident | 137 Ų | 137 | 29 Ų | 29 | 64% | 0.64 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71 | 5.2 | 174.1 | -62.8 | -179.7 | 176.5 | 0 | 0 | 112.9 | H15 E19 | H15-E17 VanDerWaalsContact C-N 3.3Å; H15-E17 WeakPolarHBondContact ND1-CB 3.33Å; H15-E17 PolarHBondContact ND1-N 3.05Å; H15-E17 PolarHBondContact O-N 3.26Å; E17-E19 PolarHBondContact O-N 3.17Å; E17-E19 VanDerWaalsContact O-N 3.12Å |
| 18 | V | 54.2 | Low | 81.1 | Confident | 38 Ų | 38 | 26.4 Ų | 26.4 | 23% | 0.23 | 14% | 0.138 | C | C | . | . | trans | -60.8 | 121.4 | -176.1 | 161.3 | 0 | 0 | 0 | 0 | 110.1 | F14 H15 D16 D20 L22 | F14-V18 HydrophobicContact CB-CB 4.48Å; F14-V18 HydrophobicContact CB-CG2 3.93Å; F14-V18 HydrophobicContact CD1-CG1 4.17Å; F14-V18 HydrophobicContact CD1-CG2 4.2Å; H15-V18 HydrophobicContact CB-CG2 4.08Å; H15-V18 VanDerWaalsContact N-CG2 3.32Å; H15-V18 WeakPolarHBondContact O-CB 3.1Å; H15-V18 WeakPolarHBondContact O-CG2 3.14Å; H15-V18 PolarHBondContact O-N 3.27Å; H15-V18 VanDerWaalsContact O-N 3.1Å; D16-V18 PolarHBondContact O-N 3.45Å; D16-V18 VanDerWaalsContact O-N 3.08Å; V18-D20 PolarHBondContact O-N 2.7Å; V18-L22 HydrophobicContact CG1-CB 3.85Å; V18-L22 HydrophobicContact CG1-CD1 4.05Å; V18-L22 HydrophobicContact CG1-CG 4.32Å; V18-L22 HydrophobicContact CG2-CD1 4.34Å | ||
| 19 | E | 62.1 | Low | 81.3 | Confident | 47 Ų | 47 | 26.8 Ų | 26.8 | 22% | 0.22 | 14% | 0.141 | C | C | . | . | trans | -52.1 | 117.9 | 165.5 | -66.5 | -179 | 166.4 | 0 | 0 | 107.6 | E17 G21 L22 R204 L205 | E17-E19 PolarHBondContact O-N 3.17Å; E17-E19 VanDerWaalsContact O-N 3.12Å; E19-G21 PolarHBondContact O-N 2.77Å; E19-L22 PolarHBondContact O-N 3.18Å; E19-R204 IonicContact OE1-NH1 3.58Å; E19-R204 PolarHBondContact OE1-NH1 2.83Å; E19-R204 IonicContact OE2-CZ 2.73Å; E19-R204 IonicContact OE2-NH1 3.9Å; E19-R204 PolarHBondContact OE2-NH1 3.3Å; E19-L205 WeakPolarHBondContact OE1-CD2 3.17Å | ||
| 20 | D | 71.9 | Confident | 81.3 | Confident | 102 Ų | 102 | 27 Ų | 27 | 55% | 0.545 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -32.9 | -24.1 | 169.6 | -101 | -19.3 | 0 | 0 | 0 | 115.6 | V18 S24 R278 | V18-D20 PolarHBondContact O-N 2.7Å; D20-S24 PolarHBondContact O-N 2.92Å; D20-R278 VanDerWaalsContact C-NH1 3.34Å; D20-R278 VanDerWaalsContact CB-CZ 3.42Å; D20-R278 VanDerWaalsContact CG-CZ 3.5Å; D20-R278 PolarHBondContact O-NH1 3.07Å; D20-R278 IonicContact OD1-CZ 2.89Å; D20-R278 IonicContact OD1-NH2 3.88Å; D20-R278 PolarHBondContact OD1-NH2 2.82Å; D20-R278 IonicContact OD2-CZ 2.82Å; D20-R278 IonicContact OD2-NE 3.69Å; D20-R278 IonicContact OD2-NH2 3.78Å; D20-R278 PolarHBondContact OD2-NH2 3.25Å |
| 21 | G | 80.9 | Confident | 81.2 | Confident | 14 Ų | 14 | 30.5 Ų | 30.5 | 14% | 0.144 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -67 | -40 | 172.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | E19 L23 S24 I25 | E19-G21 PolarHBondContact O-N 2.77Å; G21-L23 PolarHBondContact O-N 3.49Å; G21-S24 WeakPolarHBondContact O-CB 3.41Å; G21-S24 PolarHBondContact O-N 3.28Å; G21-I25 PolarHBondContact O-N 2.88Å |
| 22 | L | 86.1 | Confident | 81 | Confident | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.6 | -39.9 | -178.6 | -64.1 | -179.4 | 0 | 0 | 0 | 111.9 | F14 V18 E19 S24 I25 L26 E287 E288 V291 | F14-L22 HydrophobicContact CD1-CB 4.43Å; F14-L22 HydrophobicContact CE1-CB 4.03Å; V18-L22 HydrophobicContact CG1-CB 3.85Å; V18-L22 HydrophobicContact CG1-CD1 4.05Å; V18-L22 HydrophobicContact CG1-CG 4.32Å; V18-L22 HydrophobicContact CG2-CD1 4.34Å; E19-L22 PolarHBondContact O-N 3.18Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-I25 WeakPolarHBondContact O-CG2 3.49Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 PolarHBondContact O-N 3.3Å; L22-L26 VanDerWaalsContact O-N 3.08Å; L22-E287 HydrophobicContact CD2-CB 3.79Å; L22-E288 HydrophobicContact CD2-CB 4.4Å; L22-E288 HydrophobicContact CD2-CG 3.77Å; L22-V291 HydrophobicContact CD2-CG2 4.12Å |
| 23 | L | 85.8 | Confident | 81 | Confident | 47 Ų | 47 | 33.6 Ų | 33.6 | 25% | 0.246 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.6 | -39.5 | 175.9 | -171.2 | 62.6 | 0 | 0 | 0 | 111.3 | F14 G21 T27 K48 | F14-L23 HydrophobicContact CD2-CD1 4.49Å; F14-L23 HydrophobicContact CE2-CD1 4.16Å; G21-L23 PolarHBondContact O-N 3.49Å; L23-T27 WeakPolarHBondContact O-CB 3.32Å; L23-T27 PolarHBondContact O-N 3.36Å; L23-T27 VanDerWaalsContact O-N 3.1Å; L23-T27 PolarHBondContact O-OG1 3.06Å; L23-K48 HydrophobicContact CD1-CD 3.62Å; L23-K48 HydrophobicContact CD1-CG 4.12Å |
| 24 | S | 87.6 | Confident | 81.1 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.9 | -49.7 | 177.6 | 178.4 | 0 | 0 | 0 | 0 | 111.5 | D20 G21 L22 L26 T27 Y28 W268 D272 | D20-S24 PolarHBondContact O-N 2.92Å; G21-S24 WeakPolarHBondContact O-CB 3.41Å; G21-S24 PolarHBondContact O-N 3.28Å; L22-S24 VanDerWaalsContact C-N 3.32Å; S24-L26 PolarHBondContact O-N 3.25Å; S24-T27 PolarHBondContact O-N 2.65Å; S24-Y28 WeakPolarHBondContact O-CB 3.19Å; S24-Y28 PolarHBondContact O-N 2.88Å; S24-W268 PolarHBondContact OG-NE1 3.31Å; S24-D272 WeakPolarHBondContact CB-OD1 3.08Å; S24-D272 PolarHBondContact OG-OD1 3.13Å |
| 25 | I | 90 | Very high | 81.2 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -66.5 | -36.7 | -178.7 | -164.6 | 72.9 | 0 | 0 | 0 | 112.1 | G21 L22 T27 Y28 A29 W268 E288 V291 F292 | G21-I25 PolarHBondContact O-N 2.88Å; L22-I25 WeakPolarHBondContact O-CG2 3.49Å; I25-T27 VanDerWaalsContact C-N 3.35Å; I25-Y28 HydrophobicContact CD1-CD1 3.97Å; I25-Y28 PolarHBondContact O-N 3.5Å; I25-A29 WeakPolarHBondContact O-CB 3.5Å; I25-A29 PolarHBondContact O-N 2.95Å; I25-W268 HydrophobicContact CB-CH2 4.48Å; I25-W268 HydrophobicContact CB-CZ2 3.92Å; I25-W268 HydrophobicContact CD1-CB 4.25Å; I25-W268 HydrophobicContact CD1-CD2 3.39Å; I25-W268 HydrophobicContact CD1-CE3 3.74Å; I25-W268 HydrophobicContact CD1-CG 3.62Å; I25-W268 HydrophobicContact CD1-CZ2 4.24Å; I25-W268 HydrophobicContact CD1-CZ3 4.29Å; I25-E288 HydrophobicContact CB-CB 4.43Å; I25-E288 HydrophobicContact CG1-CB 4.45Å; I25-E288 HydrophobicContact CG2-CB 4.01Å; I25-E288 HydrophobicContact CG2-CG 4.1Å; I25-V291 HydrophobicContact CG2-CB 4.18Å; I25-V291 HydrophobicContact CG2-CG1 3.98Å; I25-F292 HydrophobicContact CD1-CD2 4.23Å; I25-F292 HydrophobicContact CG1-CB 4.08Å; I25-F292 HydrophobicContact CG1-CD2 4.27Å |
| 26 | L | 91.4 | Very high | 81.2 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 172.5 | -178.5 | 80.4 | 0 | 0 | 0 | 110.5 | A12 F14 L22 S24 Y28 A29 T30 T46 L77 V291 M295 | A12-L26 HydrophobicContact CB-CD2 3.64Å; F14-L26 HydrophobicContact CE2-CD2 3.71Å; F14-L26 HydrophobicContact CZ-CB 4.29Å; F14-L26 HydrophobicContact CZ-CD2 3.65Å; F14-L26 HydrophobicContact CZ-CG 4.4Å; L22-L26 WeakPolarHBondContact O-CB 3.45Å; L22-L26 PolarHBondContact O-N 3.3Å; L22-L26 VanDerWaalsContact O-N 3.08Å; S24-L26 PolarHBondContact O-N 3.25Å; L26-Y28 VanDerWaalsContact C-N 3.35Å; L26-A29 PolarHBondContact O-N 2.92Å; L26-T30 WeakPolarHBondContact O-CB 3.39Å; L26-T30 PolarHBondContact O-N 3.06Å; L26-T30 PolarHBondContact O-OG1 2.97Å; L26-T46 HydrophobicContact CD1-CG2 4.4Å; L26-T46 HydrophobicContact CD2-CG2 4.21Å; L26-T46 HydrophobicContact CG-CG2 4.24Å; L26-L77 HydrophobicContact CD1-CD1 4.32Å; L26-V291 HydrophobicContact CB-CG1 3.99Å; L26-V291 HydrophobicContact CD1-CG1 3.94Å; L26-M295 HydrophobicContact CD1-CE 4.39Å; L26-M295 HydrophobicContact CD1-CG 3.62Å; L26-M295 HydrophobicContact CD1-SD 3.54Å; L26-M295 VanDerWaalsContact CD1-SD 3.54Å |
| 27 | T | 90.4 | Very high | 81.4 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 9% | 0.092 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.1 | -42.2 | -179.3 | -52.6 | 0 | 0 | 0 | 0 | 110.3 | L23 S24 I25 T30 M31 K48 F271 | L23-T27 WeakPolarHBondContact O-CB 3.32Å; L23-T27 PolarHBondContact O-N 3.36Å; L23-T27 VanDerWaalsContact O-N 3.1Å; L23-T27 PolarHBondContact O-OG1 3.06Å; S24-T27 PolarHBondContact O-N 2.65Å; I25-T27 VanDerWaalsContact C-N 3.35Å; T27-T30 WeakPolarHBondContact O-CB 3.32Å; T27-T30 PolarHBondContact O-N 3.13Å; T27-M31 HydrophobicContact CG2-CG 4.44Å; T27-M31 WeakPolarHBondContact O-CB 3.26Å; T27-M31 VanDerWaalsContact O-CG 3.24Å; T27-M31 WeakPolarHBondContact O-CG 3.41Å; T27-M31 PolarHBondContact O-N 3.19Å; T27-K48 PolarHBondContact OG1-NZ 2.82Å; T27-F271 HydrophobicContact CG2-CE1 4.43Å; T27-F271 HydrophobicContact CG2-CZ 4.05Å |
| 28 | Y | 91.4 | Very high | 81.5 | Confident | 20 Ų | 20 | 46.2 Ų | 46.2 | 8% | 0.078 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.9 | -46.9 | 174.2 | 170.8 | -110.8 | 0 | 0 | 0 | 112.2 | S24 I25 L26 T30 M31 K32 V264 G267 W268 F271 F292 | S24-Y28 WeakPolarHBondContact O-CB 3.19Å; S24-Y28 PolarHBondContact O-N 2.88Å; I25-Y28 HydrophobicContact CD1-CD1 3.97Å; I25-Y28 PolarHBondContact O-N 3.5Å; L26-Y28 VanDerWaalsContact C-N 3.35Å; Y28-T30 VanDerWaalsContact C-N 3.29Å; Y28-T30 PolarHBondContact O-N 3.41Å; Y28-M31 PolarHBondContact O-N 3.32Å; Y28-K32 HydrophobicContact CE1-CD 4.2Å; Y28-K32 WeakPolarHBondContact O-CB 3.49Å; Y28-K32 PolarHBondContact O-N 3.44Å; Y28-V264 HydrophobicContact CE1-CG1 4.19Å; Y28-G267 WeakPolarHBondContact OH-CA 3.46Å; Y28-W268 HydrophobicContact CD1-CB 3.82Å; Y28-W268 AromaticContact CD1-CD1 3.96Å; Y28-W268 HydrophobicContact CD1-CG 4.05Å; Y28-W268 HydrophobicContact CE1-CB 3.77Å; Y28-W268 HydrophobicContact CE1-CG 4.48Å; Y28-W268 HydrophobicContact CG-CB 4.2Å; Y28-W268 AromaticContact CG-CD1 3.75Å; Y28-W268 HydrophobicContact CG-CG 4.25Å; Y28-W268 PolarHBondContact OH-N 3.15Å; Y28-F271 HydrophobicContact CD2-CB 3.68Å; Y28-F271 HydrophobicContact CD2-CD1 4.01Å; Y28-F271 HydrophobicContact CD2-CD2 4.24Å; Y28-F271 AromaticContact CD2-CG 3.72Å; Y28-F271 HydrophobicContact CD2-CG 3.72Å; Y28-F271 HydrophobicContact CE2-CB 4.16Å; Y28-F271 HydrophobicContact CG-CD1 4.3Å; Y28-F271 HydrophobicContact CG-CG 4.46Å; Y28-F292 HydrophobicContact CD1-CD2 4.48Å; Y28-F292 HydrophobicContact CD1-CE2 4.24Å; Y28-F292 HydrophobicContact CE1-CE2 4.02Å |
| 29 | A | 92.4 | Very high | 82.1 | Confident | 8 Ų | 8 | 51 Ų | 51 | 7% | 0.066 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.8 | -40.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | I25 L26 N33 F292 M295 | I25-A29 WeakPolarHBondContact O-CB 3.5Å; I25-A29 PolarHBondContact O-N 2.95Å; L26-A29 PolarHBondContact O-N 2.92Å; A29-N33 PolarHBondContact O-N 3.14Å; A29-F292 HydrophobicContact CB-CD2 3.87Å; A29-F292 HydrophobicContact CB-CE2 4.15Å; A29-M295 HydrophobicContact CB-CB 3.76Å; A29-M295 HydrophobicContact CB-CG 4Å |
| 30 | T | 91.8 | Very high | 82.3 | Confident | 5 Ų | 5 | 50.2 Ų | 50.2 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62 | -49.9 | 175.5 | -53.4 | 0 | 0 | 0 | 0 | 111.5 | L26 T27 Y28 N33 N34 L44 T46 M295 | L26-T30 WeakPolarHBondContact O-CB 3.39Å; L26-T30 PolarHBondContact O-N 3.06Å; L26-T30 PolarHBondContact O-OG1 2.97Å; T27-T30 WeakPolarHBondContact O-CB 3.32Å; T27-T30 PolarHBondContact O-N 3.13Å; Y28-T30 VanDerWaalsContact C-N 3.29Å; Y28-T30 PolarHBondContact O-N 3.41Å; T30-N33 PolarHBondContact O-N 3.18Å; T30-N34 WeakPolarHBondContact O-CB 3.1Å; T30-N34 PolarHBondContact O-N 3.19Å; T30-N34 PolarHBondContact O-OD1 3.28Å; T30-L44 HydrophobicContact CG2-CB 3.99Å; T30-T46 HydrophobicContact CG2-CG2 4.08Å; T30-T46 WeakPolarHBondContact OG1-CG2 3.39Å; T30-M295 WeakPolarHBondContact OG1-CE 3.25Å |
| 31 | M | 89.4 | Confident | 82.6 | Confident | 72 Ų | 72 | 48.1 Ų | 48.1 | 36% | 0.355 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -67.6 | -40.5 | -179.8 | -67.3 | -63.9 | 170 | 0 | 0 | 111.8 | T27 Y28 N33 N34 Y35 F271 | T27-M31 HydrophobicContact CG2-CG 4.44Å; T27-M31 WeakPolarHBondContact O-CB 3.26Å; T27-M31 VanDerWaalsContact O-CG 3.24Å; T27-M31 WeakPolarHBondContact O-CG 3.41Å; T27-M31 PolarHBondContact O-N 3.19Å; Y28-M31 PolarHBondContact O-N 3.32Å; M31-N33 VanDerWaalsContact C-N 3.29Å; M31-N33 PolarHBondContact O-N 3.39Å; M31-N34 PolarHBondContact O-N 3.46Å; M31-N34 VanDerWaalsContact O-N 3.09Å; M31-Y35 HydrophobicContact CB-CD2 4.45Å; M31-Y35 WeakPolarHBondContact O-CD2 3.34Å; M31-Y35 PolarHBondContact O-N 2.88Å; M31-Y35 HydrophobicContact SD-CD2 4.13Å; M31-Y35 HydrophobicContact SD-CE2 3.58Å; M31-Y35 VanDerWaalsContact SD-CE2 3.58Å; M31-F271 HydrophobicContact CB-CE2 4.12Å; M31-F271 HydrophobicContact CB-CZ 4.49Å; M31-F271 HydrophobicContact CG-CE2 3.98Å; M31-F271 HydrophobicContact CG-CZ 4.07Å |
| 32 | K | 89 | Confident | 82.9 | Confident | 54 Ų | 54 | 47.5 Ų | 47.5 | 24% | 0.235 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.4 | -44.5 | 175.9 | -174.5 | 179.6 | -178.4 | 173.4 | 0 | 110.7 | Y28 N36 F292 | Y28-K32 HydrophobicContact CE1-CD 4.2Å; Y28-K32 WeakPolarHBondContact O-CB 3.49Å; Y28-K32 PolarHBondContact O-N 3.44Å; K32-N36 WeakPolarHBondContact CG-ND2 3.21Å; K32-N36 VanDerWaalsContact O-CB 3.3Å; K32-N36 WeakPolarHBondContact O-CB 3.49Å; K32-N36 PolarHBondContact O-N 2.81Å; K32-F292 HydrophobicContact CD-CE2 4.29Å; K32-F292 HydrophobicContact CD-CZ 4.29Å |
| 33 | N | 88.3 | Confident | 83 | Confident | 11 Ų | 11 | 52.6 Ų | 52.6 | 6% | 0.059 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.7 | -52 | 172.1 | 178.8 | 76.9 | 0 | 0 | 0 | 111 | A29 T30 M31 Y35 Q40 I42 L44 T299 | A29-N33 PolarHBondContact O-N 3.14Å; T30-N33 PolarHBondContact O-N 3.18Å; M31-N33 VanDerWaalsContact C-N 3.29Å; M31-N33 PolarHBondContact O-N 3.39Å; N33-Y35 VanDerWaalsContact C-N 3.3Å; N33-Y35 PolarHBondContact O-N 2.75Å; N33-Q40 VanDerWaalsContact C-NE2 3.34Å; N33-Q40 PolarHBondContact ND2-NE2 2.85Å; N33-Q40 VanDerWaalsContact ND2-NE2 3.1Å; N33-Q40 VanDerWaalsContact O-CD 3.29Å; N33-Q40 PolarHBondContact O-NE2 2.82Å; N33-Q40 PolarHBondContact O-OE1 3.02Å; N33-I42 PolarHBondContact ND2-O 3.46Å; N33-L44 HydrophobicContact CB-CD1 3.82Å; N33-L44 HydrophobicContact CB-CG 4.29Å; N33-L44 WeakPolarHBondContact ND2-CG 3.26Å; N33-T299 WeakPolarHBondContact OD1-CG2 3.34Å |
| 34 | N | 88.6 | Confident | 83.2 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 13% | 0.134 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -67.9 | -15.6 | -169.5 | -70.4 | -5.3 | 0 | 0 | 0 | 116.3 | T30 M31 Q40 L44 | T30-N34 WeakPolarHBondContact O-CB 3.1Å; T30-N34 PolarHBondContact O-N 3.19Å; T30-N34 PolarHBondContact O-OD1 3.28Å; M31-N34 PolarHBondContact O-N 3.46Å; M31-N34 VanDerWaalsContact O-N 3.09Å; N34-Q40 VanDerWaalsContact C-OE1 3.28Å; N34-Q40 VanDerWaalsContact CA-NE2 3.27Å; N34-Q40 PolarHBondContact O-OE1 3.3Å; N34-Q40 VanDerWaalsContact O-OE1 3.06Å; N34-L44 PolarHBondContact ND2-O 3.08Å; N34-L44 PolarHBondContact OD1-N 2.99Å |
| 35 | Y | 82.3 | Confident | 83.3 | Confident | 172 Ų | 172 | 52.8 Ų | 52.8 | 68% | 0.675 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -129 | -15.4 | -174.1 | -68.1 | -76 | 0 | 0 | 0 | 115.9 | M31 N33 | M31-Y35 HydrophobicContact CB-CD2 4.45Å; M31-Y35 WeakPolarHBondContact O-CD2 3.34Å; M31-Y35 PolarHBondContact O-N 2.88Å; M31-Y35 HydrophobicContact SD-CD2 4.13Å; M31-Y35 HydrophobicContact SD-CE2 3.58Å; M31-Y35 VanDerWaalsContact SD-CE2 3.58Å; N33-Y35 VanDerWaalsContact C-N 3.3Å; N33-Y35 PolarHBondContact O-N 2.75Å |
| 36 | N | 72.1 | Confident | 83.3 | Confident | 100 Ų | 100 | 54.3 Ų | 54.3 | 54% | 0.535 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -90.7 | -6.3 | -173.3 | -77 | -9.2 | 0 | 0 | 0 | 115.4 | K32 | K32-N36 WeakPolarHBondContact CG-ND2 3.21Å; K32-N36 VanDerWaalsContact O-CB 3.3Å; K32-N36 WeakPolarHBondContact O-CB 3.49Å; K32-N36 PolarHBondContact O-N 2.81Å |
| 37 | H | 67.2 | Low | 83.2 | Confident | 104 Ų | 104 | 57.6 Ų | 57.6 | 48% | 0.481 | 28% | 0.283 | S | S | . | . | trans | -117.5 | 117.9 | -172.9 | -67.9 | -60.1 | 0 | 0 | 0 | 112.7 | N39 Q40 | H37-N39 VanDerWaalsContact C-N 3.29Å; H37-N39 PolarHBondContact O-N 3.12Å; H37-Q40 HydrophobicContact CB-CB 4.34Å; H37-Q40 WeakPolarHBondContact O-CB 3.34Å | ||
| 38 | P | 59.2 | Low | 83 | Confident | 128 Ų | 128 | 61.2 Ų | 61.2 | 83% | 0.831 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -23.2 | 178.9 | 24.7 | -31.8 | 0 | 0 | 0 | 113.7 | ||
| 39 | N | 66 | Low | 82.7 | Confident | 139 Ų | 139 | 60.4 Ų | 60.4 | 74% | 0.743 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.8 | 45 | 178.4 | -69.6 | -12.7 | 0 | 0 | 0 | 111.8 | H37 V41 | H37-N39 VanDerWaalsContact C-N 3.29Å; H37-N39 PolarHBondContact O-N 3.12Å; N39-V41 PolarHBondContact O-N 2.89Å |
| 40 | Q | 67.5 | Low | 82 | Confident | 31 Ų | 31 | 64.8 Ų | 64.8 | 15% | 0.145 | 32% | 0.316 | C | S | . | . | trans | -75.8 | 115.4 | -170.7 | -177.2 | 153.9 | 15.7 | 0 | 0 | 112.7 | N33 N34 H37 I42 | N33-Q40 VanDerWaalsContact C-NE2 3.34Å; N33-Q40 PolarHBondContact ND2-NE2 2.85Å; N33-Q40 VanDerWaalsContact ND2-NE2 3.1Å; N33-Q40 VanDerWaalsContact O-CD 3.29Å; N33-Q40 PolarHBondContact O-NE2 2.82Å; N33-Q40 PolarHBondContact O-OE1 3.02Å; N34-Q40 VanDerWaalsContact C-OE1 3.28Å; N34-Q40 VanDerWaalsContact CA-NE2 3.27Å; N34-Q40 PolarHBondContact O-OE1 3.3Å; N34-Q40 VanDerWaalsContact O-OE1 3.06Å; H37-Q40 HydrophobicContact CB-CB 4.34Å; H37-Q40 WeakPolarHBondContact O-CB 3.34Å; Q40-I42 WeakPolarHBondContact CG-O 3.26Å; Q40-I42 PolarHBondContact NE2-O 3.33Å | ||
| 41 | V | 78.3 | Confident | 81 | Confident | 58 Ų | 58 | 64.8 Ų | 64.8 | 35% | 0.352 | 32% | 0.316 | S | S | . | . | trans | -87.9 | -29 | 179.4 | -170.1 | 0 | 0 | 0 | 0 | 111.7 | F6 N39 A306 | F6-V41 WeakPolarHBondContact CB-O 3.45Å; F6-V41 PolarHBondContact N-O 2.86Å; N39-V41 PolarHBondContact O-N 2.89Å; V41-A306 HydrophobicContact CG1-CB 3.61Å | ||
| 42 | I | 85.3 | Confident | 80 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 1% | 0.005 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 145.5 | -174.2 | 68.4 | 170.6 | 0 | 0 | 0 | 112.2 | F6 V8 N33 Q40 L44 T299 F302 E303 A306 | F6-I42 HydrophobicContact CB-CG2 4.35Å; F6-I42 HydrophobicContact CD1-CG2 4.14Å; F6-I42 CarbonylContact O-C 3.51Å; F6-I42 VanDerWaalsContact O-CA 3.26Å; F6-I42 WeakPolarHBondContact O-CA 3.29Å; V8-I42 HydrophobicContact CG2-CB 4.03Å; V8-I42 HydrophobicContact CG2-CD1 4.47Å; V8-I42 HydrophobicContact CG2-CG2 4.38Å; N33-I42 PolarHBondContact ND2-O 3.46Å; Q40-I42 WeakPolarHBondContact CG-O 3.26Å; Q40-I42 PolarHBondContact NE2-O 3.33Å; I42-L44 HydrophobicContact CD1-CD2 4.16Å; I42-T299 HydrophobicContact CD1-CG2 4.21Å; I42-T299 WeakPolarHBondContact CD1-O 3.46Å; I42-F302 HydrophobicContact CD1-CB 3.74Å; I42-F302 HydrophobicContact CG2-CB 4.36Å; I42-E303 HydrophobicContact CD1-CG 3.9Å; I42-E303 HydrophobicContact CG1-CG 4.17Å; I42-A306 HydrophobicContact CG2-CB 4.19Å |
| 43 | R | 88.2 | Confident | 78.7 | Confident | 115 Ų | 115 | 68.5 Ų | 68.5 | 43% | 0.434 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 122.3 | 172.9 | 177.3 | 176.9 | -179.6 | 170.9 | -0.5 | 108.8 | I5 F6 R7 V8 | I5-R43 HydrophobicContact CG2-CB 3.61Å; F6-R43 PolarHBondContact O-N 3.15Å; R7-R43 CarbonylContact C-O 3.5Å; R7-R43 WeakPolarHBondContact CA-O 3.38Å; V8-R43 PolarHBondContact N-O 3.05Å |
| 44 | L | 91 | Very high | 77.3 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 138.2 | 179.6 | -55.6 | -178.7 | 0 | 0 | 0 | 110.5 | V8 I10 T30 N33 N34 I42 M295 T299 | V8-L44 HydrophobicContact CB-CD2 3.82Å; V8-L44 HydrophobicContact CG1-CD2 4.17Å; V8-L44 HydrophobicContact CG2-CD2 4.23Å; I10-L44 HydrophobicContact CD1-CB 4.38Å; I10-L44 HydrophobicContact CD1-CD1 4.49Å; I10-L44 HydrophobicContact CD1-CD2 4.06Å; T30-L44 HydrophobicContact CG2-CB 3.99Å; N33-L44 HydrophobicContact CB-CD1 3.82Å; N33-L44 HydrophobicContact CB-CG 4.29Å; N33-L44 WeakPolarHBondContact ND2-CG 3.26Å; N34-L44 PolarHBondContact ND2-O 3.08Å; N34-L44 PolarHBondContact OD1-N 2.99Å; I42-L44 HydrophobicContact CD1-CD2 4.16Å; L44-M295 HydrophobicContact CD1-CE 3.6Å; L44-T299 WeakPolarHBondContact CD1-OG1 3.44Å |
| 45 | E | 89.5 | Confident | 75.8 | Confident | 48 Ų | 48 | 75.3 Ų | 75.3 | 22% | 0.224 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 101 | 175.4 | -68.2 | -177.3 | 172.2 | 0 | 0 | 109.2 | R7 V8 P9 I10 | R7-E45 WeakPolarHBondContact CD-OE1 3.46Å; R7-E45 WeakPolarHBondContact CG-OE1 3.4Å; R7-E45 IonicContact NE-OE1 3.13Å; V8-E45 PolarHBondContact O-N 2.84Å; P9-E45 CarbonylContact C-O 3.45Å; P9-E45 VanDerWaalsContact CA-O 3.3Å; P9-E45 WeakPolarHBondContact CA-O 3.37Å; I10-E45 PolarHBondContact N-O 3.37Å |
| 46 | T | 90.7 | Very high | 74.7 | Confident | 32 Ų | 32 | 71.3 Ų | 71.3 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 119.1 | 179.6 | 56.1 | 0 | 0 | 0 | 0 | 110.9 | I10 L26 T30 M295 | I10-T46 CarbonylContact O-C 3.59Å; I10-T46 WeakPolarHBondContact O-CA 3.35Å; L26-T46 HydrophobicContact CD1-CG2 4.4Å; L26-T46 HydrophobicContact CD2-CG2 4.21Å; L26-T46 HydrophobicContact CG-CG2 4.24Å; T30-T46 HydrophobicContact CG2-CG2 4.08Å; T30-T46 WeakPolarHBondContact OG1-CG2 3.39Å; T46-M295 HydrophobicContact CG2-CE 3.76Å; T46-M295 HydrophobicContact CG2-SD 4.36Å |
| 47 | R | 89.2 | Confident | 74.6 | Confident | 70 Ų | 70 | 71.8 Ų | 71.8 | 26% | 0.264 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 130.4 | 169.5 | -57 | -171.3 | -167.6 | -137.3 | 10.3 | 108.8 | I10 G11 A12 L68 D71 | I10-R47 PolarHBondContact O-N 3.32Å; G11-R47 CarbonylContact C-O 3.54Å; A12-R47 PolarHBondContact N-O 3.08Å; R47-L68 HydrophobicContact CB-CD2 3.89Å; R47-D71 IonicContact CZ-OD2 3.52Å; R47-D71 IonicContact NH1-OD1 3.46Å; R47-D71 IonicContact NH1-OD2 3.61Å; R47-D71 PolarHBondContact NH1-OD2 3.09Å; R47-D71 PolarHBondContact NH2-O 3.1Å |
| 48 | K | 86.3 | Confident | 74.7 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 39% | 0.391 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.4 | -169.6 | -65.1 | 155.7 | 170.5 | -166 | 0 | 109.7 | A12 L23 T27 | A12-K48 CarbonylContact O-C 3.04Å; A12-K48 WeakPolarHBondContact O-CA 3.39Å; L23-K48 HydrophobicContact CD1-CD 3.62Å; L23-K48 HydrophobicContact CD1-CG 4.12Å; T27-K48 PolarHBondContact OG1-NZ 2.82Å |
| 49 | G | 83.8 | Confident | 75.6 | Confident | 3 Ų | 3 | 70 Ų | 70 | 3% | 0.031 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 130.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 110 | A12 V13 F14 | A12-G49 PolarHBondContact O-N 3.23Å; V13-G49 CarbonylContact C-O 3.57Å; V13-G49 WeakPolarHBondContact CA-O 3.44Å; F14-G49 PolarHBondContact N-O 3.31Å |
| 50 | I | 78.7 | Confident | 76.2 | Confident | 100 Ų | 100 | 64.8 Ų | 64.8 | 51% | 0.513 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 128.6 | 176.7 | -57.1 | 174.1 | 0 | 0 | 0 | 108.4 | F14 | F14-I50 CarbonylContact O-C 3.46Å; F14-I50 WeakPolarHBondContact O-CA 3.3Å |
| 51 | I | 70.9 | Confident | 76.6 | Confident | 6 Ų | 6 | 63.4 Ų | 63.4 | 3% | 0.031 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 121.3 | 177.5 | -57.9 | 152.5 | 0 | 0 | 0 | 108.4 | V13 F14 H15 D16 L61 L64 | V13-I51 HydrophobicContact CG1-CD1 3.48Å; V13-I51 VanDerWaalsContact CG1-CD1 3.48Å; V13-I51 HydrophobicContact CG1-CG1 3.97Å; F14-I51 PolarHBondContact O-N 3.3Å; H15-I51 CarbonylContact C-O 3.55Å; D16-I51 WeakPolarHBondContact CB-O 3.11Å; D16-I51 PolarHBondContact N-O 3.27Å; I51-L61 HydrophobicContact CD1-CD2 3.28Å; I51-L61 HydrophobicContact CD1-CG 3.94Å; I51-L61 HydrophobicContact CG1-CD2 4.2Å; I51-L61 HydrophobicContact CG1-CG 4.41Å; I51-L64 HydrophobicContact CD1-CD2 4.44Å; I51-L64 HydrophobicContact CG1-CD2 3.48Å; I51-L64 VanDerWaalsContact CG1-CD2 3.48Å |
| 52 | R | 67.3 | Low | 76.8 | Confident | 165 Ų | 165 | 62.6 Ų | 62.6 | 62% | 0.623 | 31% | 0.309 | S | S | * | . | trans | -70.3 | 139.6 | 174.4 | -64.7 | -173.7 | 176.5 | 168.4 | -0.7 | 111.3 | D16 D54 S55 | D16-R52 WeakPolarHBondContact OD2-CA 3.16Å; R52-D54 WeakPolarHBondContact CB-OD1 3.44Å; R52-D54 PolarHBondContact O-N 3.12Å; R52-S55 PolarHBondContact O-N 2.91Å; R52-S55 PolarHBondContact O-OG 2.81Å | ||
| 53 | A | 62.1 | Low | 76.8 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 31% | 0.314 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -60.6 | -27.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | D16 S55 | D16-A53 HydrophobicContact CB-CB 4.45Å; A53-S55 PolarHBondContact O-N 3.4Å |
| 54 | D | 59 | Low | 76.7 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 73% | 0.733 | 32% | 0.316 | S | S | * | . | G | 310 helix | trans | -71.7 | -12.9 | 175.8 | 60.9 | -10.8 | 0 | 0 | 0 | 113.9 | R52 | R52-D54 WeakPolarHBondContact CB-OD1 3.44Å; R52-D54 PolarHBondContact O-N 3.12Å |
| 55 | S | 57.3 | Low | 76.5 | Confident | 42 Ų | 42 | 63.2 Ų | 63.2 | 29% | 0.294 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -111.6 | 17.3 | -170.3 | 71.4 | 0 | 0 | 0 | 0 | 114.7 | R52 A53 N57 | R52-S55 PolarHBondContact O-N 2.91Å; R52-S55 PolarHBondContact O-OG 2.81Å; A53-S55 PolarHBondContact O-N 3.4Å; S55-N57 PolarHBondContact O-N 2.74Å |
| 56 | L | 58.6 | Low | 76.5 | Confident | 88 Ų | 88 | 61.6 Ų | 61.6 | 46% | 0.461 | 31% | 0.31 | S | S | . | . | trans | -64 | 75.2 | 179.4 | -75.9 | 165.7 | 0 | 0 | 0 | 112.6 | ||||
| 57 | N | 69.7 | Low | 76.4 | Confident | 110 Ų | 110 | 64.8 Ų | 64.8 | 59% | 0.588 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -134 | 136.9 | 165.6 | -175.5 | -4.7 | 0 | 0 | 0 | 108.2 | S55 W59 A60 L61 | S55-N57 PolarHBondContact O-N 2.74Å; N57-W59 PolarHBondContact O-N 3.06Å; N57-A60 PolarHBondContact O-N 3.24Å; N57-L61 WeakPolarHBondContact O-CD1 3.3Å; N57-L61 PolarHBondContact O-N 2.77Å |
| 58 | G | 69.9 | Low | 76.4 | Confident | 20 Ų | 20 | 62 Ų | 62 | 21% | 0.206 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -51.3 | -25.9 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | T62 | G58-T62 WeakPolarHBondContact O-CB 3.4Å; G58-T62 PolarHBondContact O-N 3.12Å; G58-T62 PolarHBondContact O-OG1 2.93Å |
| 59 | W | 79.4 | Confident | 76.6 | Confident | 174 Ų | 174 | 57.8 Ų | 57.8 | 66% | 0.659 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -66.7 | -49 | 173.4 | -178 | 83 | 0 | 0 | 0 | 114 | N57 L61 T62 K63 | N57-W59 PolarHBondContact O-N 3.06Å; W59-L61 PolarHBondContact O-N 3.47Å; W59-T62 PolarHBondContact O-N 2.86Å; W59-K63 HydrophobicContact CH2-CD 3.92Å; W59-K63 HydrophobicContact CZ2-CD 4.29Å; W59-K63 HydrophobicContact CZ3-CD 4.31Å; W59-K63 PolarHBondContact O-N 3.37Å |
| 60 | A | 78.3 | Confident | 76.8 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 25% | 0.248 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -62.7 | -38.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | N57 K63 L64 | N57-A60 PolarHBondContact O-N 3.24Å; A60-K63 WeakPolarHBondContact O-CB 3.39Å; A60-K63 PolarHBondContact O-N 2.9Å; A60-L64 PolarHBondContact O-N 2.98Å |
| 61 | L | 75 | Confident | 76.8 | Confident | 2 Ų | 2 | 62.4 Ų | 62.4 | 1% | 0.01 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 172.7 | -85.6 | 128.2 | 0 | 0 | 0 | 113.3 | I51 N57 W59 K63 L64 A65 S84 F88 | I51-L61 HydrophobicContact CD1-CD2 3.28Å; I51-L61 HydrophobicContact CD1-CG 3.94Å; I51-L61 HydrophobicContact CG1-CD2 4.2Å; I51-L61 HydrophobicContact CG1-CG 4.41Å; N57-L61 WeakPolarHBondContact O-CD1 3.3Å; N57-L61 PolarHBondContact O-N 2.77Å; W59-L61 PolarHBondContact O-N 3.47Å; L61-K63 PolarHBondContact O-N 2.74Å; L61-L64 PolarHBondContact O-N 2.95Å; L61-A65 WeakPolarHBondContact O-CB 3.39Å; L61-A65 PolarHBondContact O-N 2.92Å; L61-S84 WeakPolarHBondContact CD1-OG 3.49Å; L61-S84 WeakPolarHBondContact CD2-OG 3.43Å; L61-F88 HydrophobicContact CD2-CD2 4.34Å; L61-F88 HydrophobicContact CD2-CE2 3.56Å; L61-F88 HydrophobicContact CD2-CZ 4.42Å |
| 62 | T | 81.8 | Confident | 77.5 | Confident | 41 Ų | 41 | 62.1 Ų | 62.1 | 25% | 0.252 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.3 | -40.3 | 176.3 | -56.3 | 0 | 0 | 0 | 0 | 110.2 | G58 W59 A65 C66 L91 | G58-T62 WeakPolarHBondContact O-CB 3.4Å; G58-T62 PolarHBondContact O-N 3.12Å; G58-T62 PolarHBondContact O-OG1 2.93Å; W59-T62 PolarHBondContact O-N 2.86Å; T62-A65 PolarHBondContact O-N 2.84Å; T62-C66 WeakPolarHBondContact O-CB 3.37Å; T62-C66 PolarHBondContact O-N 3.11Å; T62-C66 PolarHBondContact O-SG 2.79Å; T62-L91 HydrophobicContact CG2-CD2 4.39Å |
| 63 | K | 86 | Confident | 78.5 | Confident | 100 Ų | 100 | 54.3 Ų | 54.3 | 44% | 0.435 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.4 | -47.4 | 176.5 | -172.3 | -179.7 | 176.9 | -174 | 0 | 112.3 | W59 A60 L61 A65 C66 E67 | W59-K63 HydrophobicContact CH2-CD 3.92Å; W59-K63 HydrophobicContact CZ2-CD 4.29Å; W59-K63 HydrophobicContact CZ3-CD 4.31Å; W59-K63 PolarHBondContact O-N 3.37Å; A60-K63 WeakPolarHBondContact O-CB 3.39Å; A60-K63 PolarHBondContact O-N 2.9Å; L61-K63 PolarHBondContact O-N 2.74Å; K63-A65 VanDerWaalsContact C-N 3.33Å; K63-A65 PolarHBondContact O-N 3.32Å; K63-C66 CarbonylContact O-C 3.52Å; K63-C66 WeakPolarHBondContact O-CB 2.89Å; K63-C66 PolarHBondContact O-N 3.17Å; K63-C66 VanDerWaalsContact O-N 3.14Å; K63-E67 WeakPolarHBondContact CE-OE1 3.34Å; K63-E67 WeakPolarHBondContact O-CG 3.45Å; K63-E67 PolarHBondContact O-N 2.87Å |
| 64 | L | 85.8 | Confident | 80 | Confident | 30 Ų | 30 | 52.5 Ų | 52.5 | 16% | 0.157 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -43 | 176.5 | 179.6 | 65.8 | 0 | 0 | 0 | 111.7 | V13 I51 A60 L61 C66 E67 L68 | V13-L64 HydrophobicContact CG1-CD2 3.94Å; I51-L64 HydrophobicContact CD1-CD2 4.44Å; I51-L64 HydrophobicContact CG1-CD2 3.48Å; I51-L64 VanDerWaalsContact CG1-CD2 3.48Å; A60-L64 PolarHBondContact O-N 2.98Å; L61-L64 PolarHBondContact O-N 2.95Å; L64-C66 VanDerWaalsContact C-N 3.31Å; L64-C66 PolarHBondContact O-N 3.37Å; L64-E67 PolarHBondContact O-N 2.78Å; L64-L68 PolarHBondContact O-N 2.88Å |
| 65 | A | 86.4 | Confident | 81.6 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.008 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.2 | -44.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | L61 T62 K63 E67 L68 L69 F88 L91 | L61-A65 WeakPolarHBondContact O-CB 3.39Å; L61-A65 PolarHBondContact O-N 2.92Å; T62-A65 PolarHBondContact O-N 2.84Å; K63-A65 VanDerWaalsContact C-N 3.33Å; K63-A65 PolarHBondContact O-N 3.32Å; A65-E67 VanDerWaalsContact C-N 3.32Å; A65-E67 PolarHBondContact O-N 2.73Å; A65-L68 WeakPolarHBondContact O-CB 3.38Å; A65-L68 PolarHBondContact O-N 2.85Å; A65-L68 VanDerWaalsContact O-N 3.17Å; A65-L69 VanDerWaalsContact O-CG 3.32Å; A65-L69 WeakPolarHBondContact O-CG 3.41Å; A65-L69 PolarHBondContact O-N 3.37Å; A65-F88 HydrophobicContact CB-CD1 4.08Å; A65-F88 HydrophobicContact CB-CE1 3.36Å; A65-F88 HydrophobicContact CB-CZ 3.85Å; A65-L91 HydrophobicContact CB-CD2 3.45Å; A65-L91 VanDerWaalsContact CB-CD2 3.45Å |
| 66 | C | 90.4 | Very high | 83.3 | Confident | 14 Ų | 14 | 44 Ų | 44 | 10% | 0.095 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.7 | -34.1 | 175.8 | -72.1 | 0 | 0 | 0 | 0 | 113.6 | T62 K63 L64 L69 K70 C332 | T62-C66 WeakPolarHBondContact O-CB 3.37Å; T62-C66 PolarHBondContact O-N 3.11Å; T62-C66 PolarHBondContact O-SG 2.79Å; K63-C66 CarbonylContact O-C 3.52Å; K63-C66 WeakPolarHBondContact O-CB 2.89Å; K63-C66 PolarHBondContact O-N 3.17Å; K63-C66 VanDerWaalsContact O-N 3.14Å; L64-C66 VanDerWaalsContact C-N 3.31Å; L64-C66 PolarHBondContact O-N 3.37Å; C66-L69 PolarHBondContact O-N 3.37Å; C66-K70 WeakPolarHBondContact O-CB 3.45Å; C66-K70 PolarHBondContact O-N 3.33Å; C66-C332 WeakPolarHBondContact CA-SG 3.49Å; C66-C332 HydrophobicContact CB-CB 3.71Å; C66-C332 WeakPolarHBondContact CB-SG 3.46Å; C66-C332 WeakPolarHBondContact SG-CB 3.33Å; C66-C332 CovalentContact SG-SG 2.02Å; C66-C332 PolarHBondContact SG-SG 3.44Å |
| 67 | E | 89.6 | Confident | 84.8 | Confident | 100 Ų | 100 | 39.8 Ų | 39.8 | 47% | 0.467 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -65.8 | -39.8 | 172.2 | -73.4 | 173 | -175.5 | 0 | 0 | 111.4 | K63 L64 A65 | K63-E67 WeakPolarHBondContact CE-OE1 3.34Å; K63-E67 WeakPolarHBondContact O-CG 3.45Å; K63-E67 PolarHBondContact O-N 2.87Å; L64-E67 PolarHBondContact O-N 2.78Å; A65-E67 VanDerWaalsContact C-N 3.32Å; A65-E67 PolarHBondContact O-N 2.73Å |
| 68 | L | 89.2 | Confident | 85.5 | Confident | 12 Ų | 12 | 34.5 Ų | 34.5 | 6% | 0.063 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.9 | -37.8 | 172.5 | -68.2 | 173.8 | 0 | 0 | 0 | 112.6 | V13 R47 L64 A65 V73 | V13-L68 HydrophobicContact CG2-CD1 3.35Å; R47-L68 HydrophobicContact CB-CD2 3.89Å; L64-L68 PolarHBondContact O-N 2.88Å; A65-L68 WeakPolarHBondContact O-CB 3.38Å; A65-L68 PolarHBondContact O-N 2.85Å; A65-L68 VanDerWaalsContact O-N 3.17Å; L68-V73 WeakPolarHBondContact O-CG1 3.07Å |
| 69 | L | 90.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -68.9 | -38.9 | 177.1 | -67.9 | -176.1 | 0 | 0 | 0 | 112.2 | A65 C66 D71 G72 V73 L76 L91 M95 V97 L330 | A65-L69 VanDerWaalsContact O-CG 3.32Å; A65-L69 WeakPolarHBondContact O-CG 3.41Å; A65-L69 PolarHBondContact O-N 3.37Å; C66-L69 PolarHBondContact O-N 3.37Å; L69-D71 PolarHBondContact O-N 2.9Å; L69-D71 VanDerWaalsContact O-N 3.11Å; L69-G72 WeakPolarHBondContact O-CA 3.32Å; L69-G72 PolarHBondContact O-N 3.46Å; L69-V73 HydrophobicContact CD2-CG2 3.51Å; L69-L76 HydrophobicContact CD2-CD1 4.07Å; L69-L76 HydrophobicContact CD2-CD2 4.1Å; L69-L76 HydrophobicContact CD2-CG 4.18Å; L69-L91 HydrophobicContact CD1-CD2 4.08Å; L69-L91 HydrophobicContact CD1-CG 4.28Å; L69-M95 HydrophobicContact CD1-CB 4.13Å; L69-M95 HydrophobicContact CD1-CE 4.21Å; L69-M95 HydrophobicContact CD1-CG 3.71Å; L69-V97 HydrophobicContact CD2-CB 4.26Å; L69-V97 HydrophobicContact CD2-CG1 4.01Å; L69-V97 HydrophobicContact CD2-CG2 3.91Å; L69-L330 CarbonylContact C-O 3.53Å; L69-L330 HydrophobicContact CB-CD2 4.49Å; L69-L330 WeakPolarHBondContact CB-O 3.34Å; L69-L330 HydrophobicContact CD2-CD2 4.2Å; L69-L330 WeakPolarHBondContact O-CB 3.33Å; L69-L330 PolarHBondContact O-N 2.86Å; L69-L330 VanDerWaalsContact O-O 3.07Å |
| 70 | K | 87.3 | Confident | 84.3 | Confident | 115 Ų | 115 | 26.3 Ų | 26.3 | 50% | 0.5 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -50.9 | -39.6 | 178.8 | 171.4 | 171.5 | -177.6 | 179.5 | 0 | 112 | C66 G72 G329 L330 L331 | C66-K70 WeakPolarHBondContact O-CB 3.45Å; C66-K70 PolarHBondContact O-N 3.33Å; K70-G72 VanDerWaalsContact C-N 3.28Å; K70-G72 PolarHBondContact O-N 2.95Å; K70-G329 WeakPolarHBondContact O-CA 3.44Å; K70-L330 WeakPolarHBondContact CA-O 3.41Å; K70-L330 PolarHBondContact N-O 3.26Å; K70-L330 VanDerWaalsContact N-O 3.17Å; K70-L331 HydrophobicContact CB-CD2 3.99Å; K70-L331 HydrophobicContact CD-CD2 4Å; K70-L331 HydrophobicContact CG-CD2 3.64Å |
| 71 | D | 79.7 | Confident | 83.5 | Confident | 86 Ų | 86 | 27.2 Ų | 27.2 | 46% | 0.46 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -11.7 | -179.2 | -101 | 16.7 | 0 | 0 | 0 | 114.5 | R47 L69 | R47-D71 IonicContact CZ-OD2 3.52Å; R47-D71 IonicContact NH1-OD1 3.46Å; R47-D71 IonicContact NH1-OD2 3.61Å; R47-D71 PolarHBondContact NH1-OD2 3.09Å; R47-D71 PolarHBondContact NH2-O 3.1Å; L69-D71 PolarHBondContact O-N 2.9Å; L69-D71 VanDerWaalsContact O-N 3.11Å |
| 72 | G | 83.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.156 | C | C | . | . | trans | 83.3 | 95.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | P9 L69 K70 F322 | P9-G72 WeakPolarHBondContact CB-O 3.43Å; P9-G72 WeakPolarHBondContact CG-O 3.4Å; L69-G72 WeakPolarHBondContact O-CA 3.32Å; L69-G72 PolarHBondContact O-N 3.46Å; K70-G72 VanDerWaalsContact C-N 3.28Å; K70-G72 PolarHBondContact O-N 2.95Å; G72-F322 VanDerWaalsContact CA-CG 3.44Å | ||
| 73 | V | 90.3 | Very high | 82.6 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.165 | C | C | . | . | trans | -124.3 | 144.4 | 172.8 | -62.2 | 0 | 0 | 0 | 0 | 110 | P9 L68 L69 L76 | P9-V73 HydrophobicContact CB-CG1 4.25Å; L68-V73 WeakPolarHBondContact O-CG1 3.07Å; L69-V73 HydrophobicContact CD2-CG2 3.51Å; V73-L76 HydrophobicContact CG2-CD2 3.85Å | ||
| 74 | F | 91.6 | Very high | 82.1 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -88.3 | -21.1 | 179.1 | -70.8 | -60.3 | 0 | 0 | 0 | 113.8 | F6 V8 P9 P98 F302 H316 F317 F322 L348 P350 I354 | F6-F74 HydrophobicContact CE1-CE2 4.04Å; F6-F74 HydrophobicContact CE2-CE2 4.42Å; F6-F74 HydrophobicContact CZ-CD2 4.43Å; F6-F74 AromaticContact CZ-CE2 3.45Å; F6-F74 HydrophobicContact CZ-CE2 3.45Å; F6-F74 VanDerWaalsContact CZ-CE2 3.45Å; F6-F74 AromaticContact CZ-CZ 3.78Å; F6-F74 HydrophobicContact CZ-CZ 3.78Å; V8-F74 HydrophobicContact CG1-CD2 4.32Å; P9-F74 HydrophobicContact CG-CD2 3.89Å; P9-F74 HydrophobicContact CG-CE2 4.13Å; P9-F74 PolarHBondContact O-N 2.78Å; F74-P98 WeakPolarHBondContact O-CD 3.48Å; F74-F302 HydrophobicContact CB-CE1 4.15Å; F74-F302 HydrophobicContact CB-CE2 4.49Å; F74-F302 HydrophobicContact CB-CZ 3.57Å; F74-F302 AromaticContact CD2-CE1 4Å; F74-F302 HydrophobicContact CD2-CE1 4Å; F74-F302 HydrophobicContact CD2-CZ 4.22Å; F74-F302 HydrophobicContact CG-CE1 4.11Å; F74-F302 HydrophobicContact CG-CZ 4.03Å; F74-H316 HydrophobicContact CE1-CB 4.17Å; F74-H316 HydrophobicContact CZ-CB 4.01Å; F74-F317 HydrophobicContact CE2-CD2 4.37Å; F74-F317 AromaticContact CE2-CE2 3.76Å; F74-F317 HydrophobicContact CE2-CE2 3.76Å; F74-F317 HydrophobicContact CZ-CD2 4.34Å; F74-F317 HydrophobicContact CZ-CE2 4.05Å; F74-F322 AromaticContact CD1-CE2 3.89Å; F74-F322 HydrophobicContact CD1-CE2 3.89Å; F74-F322 HydrophobicContact CD1-CZ 4.19Å; F74-F322 AromaticContact CE1-CE2 3.46Å; F74-F322 HydrophobicContact CE1-CE2 3.46Å; F74-F322 VanDerWaalsContact CE1-CE2 3.46Å; F74-F322 AromaticContact CE1-CZ 3.89Å; F74-F322 HydrophobicContact CE1-CZ 3.89Å; F74-F322 HydrophobicContact CE2-CE2 4.17Å; F74-F322 HydrophobicContact CG-CE2 4.39Å; F74-F322 HydrophobicContact CZ-CD2 4.38Å; F74-F322 AromaticContact CZ-CE2 3.61Å; F74-F322 HydrophobicContact CZ-CE2 3.61Å; F74-F322 HydrophobicContact CZ-CZ 4.45Å; F74-L348 HydrophobicContact CD1-CD1 4.35Å; F74-L348 HydrophobicContact CD1-CD2 4.42Å; F74-P350 HydrophobicContact CE1-CG 4.34Å; F74-I354 HydrophobicContact CB-CD1 4.21Å; F74-I354 HydrophobicContact CD1-CD1 3.89Å; F74-I354 HydrophobicContact CG-CD1 4.34Å |
| 75 | T | 93.3 | Very high | 81.7 | Confident | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 144.6 | 178.6 | -175 | 0 | 0 | 0 | 0 | 109.4 | I10 G11 P98 V298 | I10-T75 HydrophobicContact CB-CG2 4.37Å; I10-T75 HydrophobicContact CG1-CG2 3.92Å; I10-T75 HydrophobicContact CG2-CG2 4Å; G11-T75 PolarHBondContact N-O 3.36Å; T75-P98 CarbonylContact C-O 3.38Å; T75-P98 VanDerWaalsContact CA-O 3.26Å; T75-P98 WeakPolarHBondContact CA-O 3.34Å; T75-P98 PolarHBondContact OG1-O 3.05Å; T75-V298 HydrophobicContact CG2-CG1 4.12Å; T75-V298 HydrophobicContact CG2-CG2 3.99Å |
| 76 | L | 92.7 | Very high | 81.5 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 134.7 | 170.5 | -66.2 | 174.8 | 0 | 0 | 0 | 108.9 | G11 L69 V73 F88 V97 P98 F99 I100 | G11-L76 CarbonylContact O-C 3.51Å; G11-L76 WeakPolarHBondContact O-CA 3.42Å; L69-L76 HydrophobicContact CD2-CD1 4.07Å; L69-L76 HydrophobicContact CD2-CD2 4.1Å; L69-L76 HydrophobicContact CD2-CG 4.18Å; V73-L76 HydrophobicContact CG2-CD2 3.85Å; L76-F88 HydrophobicContact CD1-CD1 4.13Å; L76-F88 HydrophobicContact CD1-CE1 4.34Å; L76-V97 HydrophobicContact CD1-CG1 4.49Å; L76-V97 HydrophobicContact CG-CG1 4.07Å; L76-P98 PolarHBondContact N-O 3.36Å; L76-F99 HydrophobicContact CB-CD2 3.9Å; L76-F99 CarbonylContact O-C 3.53Å; L76-F99 WeakPolarHBondContact O-CA 3.43Å; L76-I100 PolarHBondContact O-N 3.23Å |
| 77 | L | 91.3 | Very high | 81.1 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 139.1 | 174.4 | -71.8 | -167.9 | 0 | 0 | 0 | 106.1 | I10 G11 A12 V13 L26 I100 W102 M295 V298 | I10-L77 HydrophobicContact CG2-CB 4.25Å; I10-L77 HydrophobicContact CG2-CD1 3.43Å; I10-L77 VanDerWaalsContact CG2-CD1 3.43Å; I10-L77 HydrophobicContact CG2-CG 3.51Å; G11-L77 PolarHBondContact O-N 3.39Å; A12-L77 CarbonylContact C-O 3.5Å; A12-L77 VanDerWaalsContact CA-O 3.23Å; A12-L77 WeakPolarHBondContact CA-O 3.49Å; A12-L77 HydrophobicContact CB-CB 4.27Å; V13-L77 PolarHBondContact N-O 3.09Å; L26-L77 HydrophobicContact CD1-CD1 4.32Å; L77-I100 HydrophobicContact CD2-CB 3.56Å; L77-I100 HydrophobicContact CD2-CD1 3.65Å; L77-I100 HydrophobicContact CD2-CG1 4.02Å; L77-I100 HydrophobicContact CD2-CG2 4.21Å; L77-W102 HydrophobicContact CB-CH2 4.24Å; L77-W102 HydrophobicContact CB-CZ3 3.76Å; L77-M295 HydrophobicContact CD1-CG 4.36Å; L77-M295 HydrophobicContact CD1-SD 3.41Å; L77-M295 WeakPolarHBondContact CD1-SD 3.45Å; L77-V298 HydrophobicContact CD2-CG2 4.29Å |
| 78 | G | 83.3 | Confident | 80.9 | Confident | 0 Ų | 0 | 24.8 Ų | 24.8 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 137.2 | 176.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | V13 F99 I100 W102 | V13-G78 VanDerWaalsContact O-CA 3.31Å; V13-G78 WeakPolarHBondContact O-CA 3.36Å; G78-F99 WeakPolarHBondContact O-CE2 3.49Å; G78-F99 WeakPolarHBondContact O-CZ 3.4Å; G78-I100 PolarHBondContact N-O 3Å; G78-W102 VanDerWaalsContact CA-CH2 3.42Å |
| 79 | T | 66.7 | Low | 80.8 | Confident | 10 Ų | 10 | 24.2 Ų | 24.2 | 6% | 0.061 | 13% | 0.127 | C | C | . | . | trans | -161.2 | 161.4 | -171.4 | 64.8 | 0 | 0 | 0 | 0 | 109.8 | W102 L103 | T79-W102 HydrophobicContact CG2-CD2 4.02Å; T79-W102 HydrophobicContact CG2-CG 3.82Å; T79-W102 PolarHBondContact OG1-NE1 3.38Å; T79-L103 HydrophobicContact CG2-CB 3.68Å; T79-L103 HydrophobicContact CG2-CD1 4.23Å; T79-L103 HydrophobicContact CG2-CG 3.74Å; T79-L103 WeakPolarHBondContact OG1-CD1 3.39Å; T79-L103 WeakPolarHBondContact OG1-CG 3.3Å | ||
| 80 | A | 56.8 | Low | 80.7 | Confident | 11 Ų | 11 | 26.6 Ų | 26.6 | 9% | 0.091 | 14% | 0.143 | C | C | . | . | trans | -156 | -164.2 | 140.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | S84 | A80-S84 WeakPolarHBondContact CB-OG 3.43Š| ||
| 81 | D | 62.8 | Low | 80.8 | Confident | 50 Ų | 50 | 21.9 Ų | 21.9 | 27% | 0.267 | 12% | 0.124 | S | C | . | . | S | Bend | trans | -33.9 | 163.8 | 179.6 | 73.9 | -33.4 | 0 | 0 | 0 | 117.5 | A83 S84 Q85 | D81-A83 PolarHBondContact O-N 3.1Å; D81-A83 WeakPolarHBondContact OD2-CB 3.35Å; D81-S84 WeakPolarHBondContact O-CA 3.39Å; D81-S84 WeakPolarHBondContact O-CB 3.24Å; D81-S84 PolarHBondContact O-N 2.74Å; D81-S84 WeakPolarHBondContact OD1-CB 3.49Å; D81-S84 PolarHBondContact OD1-N 3Å; D81-S84 PolarHBondContact OD1-OG 2.89Å; D81-Q85 PolarHBondContact O-N 3.49Å |
| 82 | R | 66.3 | Low | 81.4 | Confident | 113 Ų | 113 | 17.8 Ų | 17.8 | 43% | 0.426 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -48.8 | -35.1 | -179.9 | -170.2 | 177.8 | -177.4 | 177.3 | 3.1 | 113.2 | N86 | R82-N86 PolarHBondContact O-N 3.17Å; R82-N86 VanDerWaalsContact O-N 3.14Å; R82-N86 PolarHBondContact O-ND2 2.95Å |
| 83 | A | 70.8 | Confident | 81.7 | Confident | 52 Ų | 52 | 19.3 Ų | 19.3 | 43% | 0.43 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -67 | -44.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | D81 N86 A87 | D81-A83 PolarHBondContact O-N 3.1Å; D81-A83 WeakPolarHBondContact OD2-CB 3.35Å; A83-N86 PolarHBondContact O-N 3.35Å; A83-A87 PolarHBondContact O-N 2.9Å; A83-A87 VanDerWaalsContact O-N 3.12Å |
| 84 | S | 75.6 | Confident | 81.8 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.007 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.2 | -46.3 | 174.5 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | L61 A80 D81 N86 A87 F88 | L61-S84 WeakPolarHBondContact CD1-OG 3.49Å; L61-S84 WeakPolarHBondContact CD2-OG 3.43Å; A80-S84 WeakPolarHBondContact CB-OG 3.43Å; D81-S84 WeakPolarHBondContact O-CA 3.39Å; D81-S84 WeakPolarHBondContact O-CB 3.24Å; D81-S84 PolarHBondContact O-N 2.74Å; D81-S84 WeakPolarHBondContact OD1-CB 3.49Å; D81-S84 PolarHBondContact OD1-N 3Å; D81-S84 PolarHBondContact OD1-OG 2.89Å; S84-N86 VanDerWaalsContact C-N 3.3Å; S84-N86 PolarHBondContact O-N 2.98Å; S84-A87 WeakPolarHBondContact O-CB 3.12Å; S84-A87 PolarHBondContact O-N 3.46Å; S84-A87 VanDerWaalsContact O-N 3.11Å; S84-F88 WeakPolarHBondContact O-CD2 3.44Å; S84-F88 PolarHBondContact O-N 2.82Å |
| 85 | Q | 78.7 | Confident | 81.8 | Confident | 7 Ų | 7 | 26.9 Ų | 26.9 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -59.3 | -43.4 | 178.9 | -172.2 | -177.4 | 2.9 | 0 | 0 | 111.4 | D81 A87 F88 A89 F99 E106 E115 | D81-Q85 PolarHBondContact O-N 3.49Å; Q85-A87 VanDerWaalsContact C-N 3.32Å; Q85-A87 PolarHBondContact O-N 2.88Å; Q85-F88 PolarHBondContact O-N 2.98Å; Q85-A89 VanDerWaalsContact O-CB 3.26Å; Q85-A89 WeakPolarHBondContact O-CB 3.49Å; Q85-A89 PolarHBondContact O-N 3.13Å; Q85-F99 HydrophobicContact CG-CE1 4.32Å; Q85-E106 PolarHBondContact NE2-O 3.26Å; Q85-E106 PolarHBondContact OE1-O 3.26Å; Q85-E115 WeakPolarHBondContact CG-OE1 3.17Å; Q85-E115 PolarHBondContact NE2-OE1 3.47Å |
| 86 | N | 81.4 | Confident | 81.8 | Confident | 42 Ų | 42 | 29.8 Ų | 29.8 | 23% | 0.225 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -61.4 | -39.6 | 175.8 | -70.3 | -20.4 | 0 | 0 | 0 | 112.2 | R82 A83 S84 S90 | R82-N86 PolarHBondContact O-N 3.17Å; R82-N86 VanDerWaalsContact O-N 3.14Å; R82-N86 PolarHBondContact O-ND2 2.95Å; A83-N86 PolarHBondContact O-N 3.35Å; S84-N86 VanDerWaalsContact C-N 3.3Å; S84-N86 PolarHBondContact O-N 2.98Å; N86-S90 VanDerWaalsContact O-CB 3.3Å; N86-S90 WeakPolarHBondContact O-CB 3.26Å; N86-S90 PolarHBondContact O-N 3.5Å |
| 87 | A | 82.8 | Confident | 81.8 | Confident | 18 Ų | 18 | 29.8 Ų | 29.8 | 15% | 0.149 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65 | -45.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A83 S84 Q85 S90 L91 | A83-A87 PolarHBondContact O-N 2.9Å; A83-A87 VanDerWaalsContact O-N 3.12Å; S84-A87 WeakPolarHBondContact O-CB 3.12Å; S84-A87 PolarHBondContact O-N 3.46Å; S84-A87 VanDerWaalsContact O-N 3.11Å; Q85-A87 VanDerWaalsContact C-N 3.32Å; Q85-A87 PolarHBondContact O-N 2.88Å; A87-S90 PolarHBondContact O-N 2.79Å; A87-L91 WeakPolarHBondContact O-CB 3.15Å; A87-L91 PolarHBondContact O-N 2.78Å |
| 88 | F | 84.9 | Confident | 82 | Confident | 3 Ų | 3 | 29.9 Ų | 29.9 | 1% | 0.013 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.4 | -85.2 | -78.6 | 0 | 0 | 0 | 112.8 | V13 L61 A65 L76 S84 Q85 L91 S92 F99 | V13-F88 HydrophobicContact CB-CZ 3.98Å; V13-F88 HydrophobicContact CG1-CE2 4.32Å; V13-F88 HydrophobicContact CG1-CZ 3.89Å; V13-F88 HydrophobicContact CG2-CE1 4.01Å; V13-F88 HydrophobicContact CG2-CZ 3.72Å; L61-F88 HydrophobicContact CD2-CD2 4.34Å; L61-F88 HydrophobicContact CD2-CE2 3.56Å; L61-F88 HydrophobicContact CD2-CZ 4.42Å; A65-F88 HydrophobicContact CB-CD1 4.08Å; A65-F88 HydrophobicContact CB-CE1 3.36Å; A65-F88 HydrophobicContact CB-CZ 3.85Å; L76-F88 HydrophobicContact CD1-CD1 4.13Å; L76-F88 HydrophobicContact CD1-CE1 4.34Å; S84-F88 WeakPolarHBondContact O-CD2 3.44Å; S84-F88 PolarHBondContact O-N 2.82Å; Q85-F88 PolarHBondContact O-N 2.98Å; F88-L91 PolarHBondContact O-N 2.76Å; F88-S92 WeakPolarHBondContact O-CA 3.35Å; F88-S92 WeakPolarHBondContact O-CB 3.47Å; F88-S92 PolarHBondContact O-N 2.81Å; F88-F99 HydrophobicContact CB-CD1 3.92Å; F88-F99 HydrophobicContact CB-CD2 4.25Å; F88-F99 HydrophobicContact CB-CE1 3.61Å; F88-F99 HydrophobicContact CB-CE2 3.95Å; F88-F99 HydrophobicContact CB-CG 4.24Å; F88-F99 HydrophobicContact CB-CZ 3.62Å; F88-F99 HydrophobicContact CD1-CD2 4.36Å; F88-F99 HydrophobicContact CD1-CE2 4.16Å; F88-F99 HydrophobicContact CG-CE1 4.5Å; F88-F99 HydrophobicContact CG-CE2 4.04Å; F88-F99 HydrophobicContact CG-CZ 4.03Å |
| 89 | A | 87.5 | Confident | 82.5 | Confident | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.008 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.8 | -43.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q85 S92 D93 | Q85-A89 VanDerWaalsContact O-CB 3.26Å; Q85-A89 WeakPolarHBondContact O-CB 3.49Å; Q85-A89 PolarHBondContact O-N 3.13Å; A89-S92 WeakPolarHBondContact O-CB 3.32Å; A89-S92 PolarHBondContact O-N 3.22Å; A89-D93 PolarHBondContact O-N 3.23Å |
| 90 | S | 87.7 | Confident | 83.8 | Confident | 49 Ų | 49 | 29.4 Ų | 29.4 | 34% | 0.343 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.1 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | N86 A87 D93 R94 | N86-S90 VanDerWaalsContact O-CB 3.3Å; N86-S90 WeakPolarHBondContact O-CB 3.26Å; N86-S90 PolarHBondContact O-N 3.5Å; A87-S90 PolarHBondContact O-N 2.79Å; S90-D93 PolarHBondContact O-N 3.47Å; S90-R94 WeakPolarHBondContact O-CB 3.25Å; S90-R94 PolarHBondContact O-N 3.43Å |
| 91 | L | 88.8 | Confident | 85.4 | Confident | 17 Ų | 17 | 29 Ų | 29 | 9% | 0.089 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.3 | -42 | 176.3 | -177.2 | 65 | 0 | 0 | 0 | 111.7 | T62 A65 L69 A87 F88 D93 R94 M95 | T62-L91 HydrophobicContact CG2-CD2 4.39Å; A65-L91 HydrophobicContact CB-CD2 3.45Å; A65-L91 VanDerWaalsContact CB-CD2 3.45Å; L69-L91 HydrophobicContact CD1-CD2 4.08Å; L69-L91 HydrophobicContact CD1-CG 4.28Å; A87-L91 WeakPolarHBondContact O-CB 3.15Å; A87-L91 PolarHBondContact O-N 2.78Å; F88-L91 PolarHBondContact O-N 2.76Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-D93 PolarHBondContact O-N 2.86Å; L91-R94 PolarHBondContact O-N 3.43Å; L91-M95 HydrophobicContact CD1-CG 3.58Å; L91-M95 HydrophobicContact CD1-SD 4.37Å; L91-M95 HydrophobicContact CG-CG 4.01Å; L91-M95 VanDerWaalsContact O-CB 3.32Å; L91-M95 WeakPolarHBondContact O-CB 3.32Å; L91-M95 VanDerWaalsContact O-CG 3.25Å; L91-M95 WeakPolarHBondContact O-CG 3.41Å; L91-M95 PolarHBondContact O-N 3.17Å |
| 92 | S | 91.4 | Very high | 86.5 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -56.9 | -46.5 | 175.9 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | F88 A89 R94 Q96 V97 F114 | F88-S92 WeakPolarHBondContact O-CA 3.35Å; F88-S92 WeakPolarHBondContact O-CB 3.47Å; F88-S92 PolarHBondContact O-N 2.81Å; A89-S92 WeakPolarHBondContact O-CB 3.32Å; A89-S92 PolarHBondContact O-N 3.22Å; S92-R94 PolarHBondContact O-N 3.04Å; S92-Q96 CarbonylContact O-C 3.6Å; S92-Q96 WeakPolarHBondContact O-CA 2.96Å; S92-Q96 PolarHBondContact O-N 3.03Å; S92-V97 WeakPolarHBondContact CB-O 3.39Å; S92-V97 PolarHBondContact O-N 2.02Å; S92-V97 VanDerWaalsContact O-N 3.13Å; S92-V97 PolarHBondContact OG-O 2.95Å; S92-F114 WeakPolarHBondContact OG-CB 3.4Å; S92-F114 PolarHBondContact OG-O 2.73Å; S92-F114 VanDerWaalsContact OG-O 3.13Å |
| 93 | D | 91 | Very high | 87.1 | Confident | 32 Ų | 32 | 23.4 Ų | 23.4 | 17% | 0.171 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -63.8 | -42.4 | 176 | -75 | -8.8 | 0 | 0 | 0 | 112.3 | A89 S90 L91 G112 R113 F114 | A89-D93 PolarHBondContact O-N 3.23Å; S90-D93 PolarHBondContact O-N 3.47Å; L91-D93 VanDerWaalsContact C-N 3.34Å; L91-D93 PolarHBondContact O-N 2.86Å; D93-G112 PolarHBondContact OD2-N 2.87Å; D93-R113 WeakPolarHBondContact OD1-CA 3.38Å; D93-R113 WeakPolarHBondContact OD1-CB 3.24Å; D93-R113 PolarHBondContact OD1-N 3.14Å; D93-R113 PolarHBondContact OD2-N 3.46Å; D93-F114 PolarHBondContact OD1-N 3.07Å |
| 94 | R | 91.2 | Very high | 87.5 | Confident | 158 Ų | 158 | 21.5 Ų | 21.5 | 60% | 0.596 | 11% | 0.108 | S | C | * | . | H | α-helix | trans | -68.2 | -42.5 | -179.3 | -179 | 58.8 | -177.2 | -176.3 | 3 | 112.3 | S90 L91 S92 F345 | S90-R94 WeakPolarHBondContact O-CB 3.25Å; S90-R94 PolarHBondContact O-N 3.43Å; L91-R94 PolarHBondContact O-N 3.43Å; S92-R94 PolarHBondContact O-N 3.04Å; R94-F345 HydrophobicContact CG-CZ 3.87Å |
| 95 | M | 92 | Very high | 87.5 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -88.4 | -9 | -177.8 | -58 | -58 | -66.7 | 0 | 0 | 112.4 | L69 L91 V97 L330 F345 S347 L348 | L69-M95 HydrophobicContact CD1-CB 4.13Å; L69-M95 HydrophobicContact CD1-CE 4.21Å; L69-M95 HydrophobicContact CD1-CG 3.71Å; L91-M95 HydrophobicContact CD1-CG 3.58Å; L91-M95 HydrophobicContact CD1-SD 4.37Å; L91-M95 HydrophobicContact CG-CG 4.01Å; L91-M95 VanDerWaalsContact O-CB 3.32Å; L91-M95 WeakPolarHBondContact O-CB 3.32Å; L91-M95 VanDerWaalsContact O-CG 3.25Å; L91-M95 WeakPolarHBondContact O-CG 3.41Å; L91-M95 PolarHBondContact O-N 3.17Å; M95-V97 HydrophobicContact CB-CB 4.46Å; M95-V97 HydrophobicContact CB-CG2 3.84Å; M95-V97 PolarHBondContact O-N 2.91Å; M95-L330 HydrophobicContact CE-CD1 3.73Å; M95-L330 HydrophobicContact CE-CD2 3.92Å; M95-L330 HydrophobicContact CE-CG 3.47Å; M95-L330 VanDerWaalsContact CE-CG 3.47Å; M95-F345 HydrophobicContact CE-CE2 4.24Å; M95-F345 HydrophobicContact CE-CZ 4.49Å; M95-F345 HydrophobicContact SD-CE2 3.49Å; M95-F345 WeakPolarHBondContact SD-CE2 3.33Å; M95-F345 HydrophobicContact SD-CZ 3.55Å; M95-F345 VanDerWaalsContact SD-CZ 3.55Å; M95-S347 WeakPolarHBondContact O-CB 3.46Å; M95-L348 PolarHBondContact O-N 3.48Å |
| 96 | Q | 93.4 | Very high | 87.4 | Confident | 61 Ų | 61 | 23 Ų | 23 | 29% | 0.285 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 33.7 | -171.3 | -59.3 | -179.6 | -30.2 | 0 | 0 | 112.8 | S92 F114 S347 G351 | S92-Q96 CarbonylContact O-C 3.6Å; S92-Q96 WeakPolarHBondContact O-CA 2.96Å; S92-Q96 PolarHBondContact O-N 3.03Å; Q96-F114 HydrophobicContact CB-CD1 4.45Å; Q96-F114 HydrophobicContact CB-CE1 3.88Å; Q96-F114 HydrophobicContact CB-CE2 4.33Å; Q96-F114 HydrophobicContact CB-CZ 3.83Å; Q96-F114 HydrophobicContact CG-CE1 4.41Å; Q96-F114 HydrophobicContact CG-CE2 4.03Å; Q96-F114 HydrophobicContact CG-CZ 3.85Å; Q96-S347 PolarHBondContact OE1-OG 3.12Å; Q96-G351 WeakPolarHBondContact O-CA 3.41Å |
| 97 | V | 93.6 | Very high | 86.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.113 | C | C | . | . | trans | -101.4 | 112.6 | -179.9 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | L69 L76 S92 M95 F99 L330 L348 | L69-V97 HydrophobicContact CD2-CB 4.26Å; L69-V97 HydrophobicContact CD2-CG1 4.01Å; L69-V97 HydrophobicContact CD2-CG2 3.91Å; L76-V97 HydrophobicContact CD1-CG1 4.49Å; L76-V97 HydrophobicContact CG-CG1 4.07Å; S92-V97 WeakPolarHBondContact CB-O 3.39Å; S92-V97 PolarHBondContact O-N 2.02Å; S92-V97 VanDerWaalsContact O-N 3.13Å; S92-V97 PolarHBondContact OG-O 2.95Å; M95-V97 HydrophobicContact CB-CB 4.46Å; M95-V97 HydrophobicContact CB-CG2 3.84Å; M95-V97 PolarHBondContact O-N 2.91Å; V97-F99 PolarHBondContact O-N 2.92Å; V97-L330 HydrophobicContact CG2-CD2 3.4Å; V97-L330 VanDerWaalsContact CG2-CD2 3.4Å; V97-L348 HydrophobicContact CB-CD2 4.47Å; V97-L348 HydrophobicContact CG1-CD2 4.49Å; V97-L348 HydrophobicContact CG2-CB 3.83Å; V97-L348 HydrophobicContact CG2-CD2 3.95Å; V97-L348 HydrophobicContact CG2-CG 4.49Å | ||
| 98 | P | 95 | Very high | 86.2 | Confident | 1 Ų | 1 | 24.4 Ų | 24.4 | 1% | 0.006 | 12% | 0.123 | C | C | . | . | trans | -50.1 | 126.6 | -179.4 | -25.4 | 29.8 | 0 | 0 | 0 | 112.8 | F74 T75 L76 F114 I354 Y355 L358 | F74-P98 WeakPolarHBondContact O-CD 3.48Å; T75-P98 CarbonylContact C-O 3.38Å; T75-P98 VanDerWaalsContact CA-O 3.26Å; T75-P98 WeakPolarHBondContact CA-O 3.34Å; T75-P98 PolarHBondContact OG1-O 3.05Å; L76-P98 PolarHBondContact N-O 3.36Å; P98-F114 WeakPolarHBondContact CA-O 3.43Å; P98-I354 HydrophobicContact CG-CB 4.04Å; P98-I354 HydrophobicContact CG-CG2 3.81Å; P98-Y355 HydrophobicContact CB-CD2 4.27Å; P98-L358 HydrophobicContact CB-CD1 3.67Å; P98-L358 HydrophobicContact CG-CD1 4.16Å | ||
| 99 | F | 92.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 33.6 Ų | 33.6 | 0% | 0.004 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 122 | 178 | 173.1 | -127.3 | 0 | 0 | 0 | 110.2 | L76 G78 Q85 F88 V97 F114 E115 L116 | L76-F99 HydrophobicContact CB-CD2 3.9Å; L76-F99 CarbonylContact O-C 3.53Å; L76-F99 WeakPolarHBondContact O-CA 3.43Å; G78-F99 WeakPolarHBondContact O-CE2 3.49Å; G78-F99 WeakPolarHBondContact O-CZ 3.4Å; Q85-F99 HydrophobicContact CG-CE1 4.32Å; F88-F99 HydrophobicContact CB-CD1 3.92Å; F88-F99 HydrophobicContact CB-CD2 4.25Å; F88-F99 HydrophobicContact CB-CE1 3.61Å; F88-F99 HydrophobicContact CB-CE2 3.95Å; F88-F99 HydrophobicContact CB-CG 4.24Å; F88-F99 HydrophobicContact CB-CZ 3.62Å; F88-F99 HydrophobicContact CD1-CD2 4.36Å; F88-F99 HydrophobicContact CD1-CE2 4.16Å; F88-F99 HydrophobicContact CG-CE1 4.5Å; F88-F99 HydrophobicContact CG-CE2 4.04Å; F88-F99 HydrophobicContact CG-CZ 4.03Å; V97-F99 PolarHBondContact O-N 2.92Å; F99-F114 PolarHBondContact N-O 3.45Å; F99-E115 HydrophobicContact CD1-CB 4.42Å; F99-E115 HydrophobicContact CD1-CG 3.84Å; F99-E115 HydrophobicContact CE1-CG 4.35Å; F99-E115 CarbonylContact O-C 3.59Å; F99-E115 VanDerWaalsContact O-CA 3.27Å; F99-E115 WeakPolarHBondContact O-CA 3.49Å; F99-L116 PolarHBondContact O-N 3.02Å |
| 100 | I | 94 | Very high | 84.4 | Confident | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 110 | 177.3 | -54.5 | 167.5 | 0 | 0 | 0 | 108.2 | L76 L77 G78 L116 M118 L297 V298 L358 | L76-I100 PolarHBondContact O-N 3.23Å; L77-I100 HydrophobicContact CD2-CB 3.56Å; L77-I100 HydrophobicContact CD2-CD1 3.65Å; L77-I100 HydrophobicContact CD2-CG1 4.02Å; L77-I100 HydrophobicContact CD2-CG2 4.21Å; G78-I100 PolarHBondContact N-O 3Å; I100-L116 CarbonylContact C-O 3.54Å; I100-L116 WeakPolarHBondContact CA-O 3.37Å; I100-L116 HydrophobicContact CG1-CB 4.29Å; I100-L116 HydrophobicContact CG1-CD1 4.44Å; I100-M118 HydrophobicContact CG2-CG 3.32Å; I100-M118 HydrophobicContact CG2-SD 3.95Å; I100-L297 HydrophobicContact CD1-CD2 4.15Å; I100-V298 HydrophobicContact CD1-CG2 3.52Å; I100-L358 HydrophobicContact CD1-CD1 4.42Å; I100-L358 HydrophobicContact CD1-CD2 4.2Å |
| 101 | S | 90.6 | Very high | 83.5 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.007 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 135.9 | 178.3 | 176.5 | 0 | 0 | 0 | 0 | 110.5 | L116 M118 | S101-L116 PolarHBondContact N-O 2.96Å; S101-M118 WeakPolarHBondContact O-CB 3.06Å; S101-M118 PolarHBondContact O-N 3.27Å |
| 102 | W | 87.5 | Confident | 82.8 | Confident | 4 Ų | 4 | 39.6 Ų | 39.6 | 2% | 0.015 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -117.2 | -5.1 | 177.3 | 59.2 | 68.9 | 0 | 0 | 0 | 115.6 | F14 L77 G78 T79 M118 L290 V291 | F14-W102 HydrophobicContact CD1-CZ2 4.45Å; F14-W102 HydrophobicContact CE1-CH2 4.2Å; F14-W102 HydrophobicContact CE1-CZ2 4.01Å; F14-W102 HydrophobicContact CZ-CH2 4.43Å; L77-W102 HydrophobicContact CB-CH2 4.24Å; L77-W102 HydrophobicContact CB-CZ3 3.76Å; G78-W102 VanDerWaalsContact CA-CH2 3.42Å; T79-W102 HydrophobicContact CG2-CD2 4.02Å; T79-W102 HydrophobicContact CG2-CG 3.82Å; T79-W102 PolarHBondContact OG1-NE1 3.38Å; W102-M118 HydrophobicContact CB-CB 4.28Å; W102-L290 HydrophobicContact CB-CB 3.88Å; W102-L290 HydrophobicContact CB-CD1 4.45Å; W102-L290 VanDerWaalsContact O-CD1 3.29Å; W102-L290 WeakPolarHBondContact O-CD1 3.48Å; W102-V291 HydrophobicContact CD2-CG2 3.78Å; W102-V291 HydrophobicContact CE3-CG2 3.95Å; W102-V291 HydrophobicContact CG-CG2 4.33Å; W102-V291 HydrophobicContact CH2-CG2 4.01Å; W102-V291 HydrophobicContact CZ2-CG2 3.86Å; W102-V291 HydrophobicContact CZ3-CG2 4.02Å |
| 103 | L | 77.6 | Confident | 82.4 | Confident | 43 Ų | 43 | 49.4 Ų | 49.4 | 23% | 0.225 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -97.2 | -30.3 | -175.8 | -81.9 | -174.7 | 0 | 0 | 0 | 113.4 | T79 K119 E287 | T79-L103 HydrophobicContact CG2-CB 3.68Å; T79-L103 HydrophobicContact CG2-CD1 4.23Å; T79-L103 HydrophobicContact CG2-CG 3.74Å; T79-L103 WeakPolarHBondContact OG1-CD1 3.39Å; T79-L103 WeakPolarHBondContact OG1-CG 3.3Å; L103-K119 WeakPolarHBondContact O-CD 3.35Å; L103-K119 WeakPolarHBondContact O-CE 3.5Å; L103-K119 PolarHBondContact O-NZ 2.92Å; L103-E287 HydrophobicContact CD2-CG 4.2Å; L103-E287 WeakPolarHBondContact CD2-OE1 3.22Å |
| 104 | S | 79.2 | Confident | 82.4 | Confident | 11 Ų | 11 | 49.2 Ų | 49.2 | 8% | 0.077 | 23% | 0.232 | C | C | . | . | trans | -124 | 142 | 179.5 | -157.1 | 0 | 0 | 0 | 0 | 111.8 | E106 E146 | S104-E106 VanDerWaalsContact C-N 3.35Å; S104-E106 PolarHBondContact OG-N 3.42Å; S104-E146 WeakPolarHBondContact CB-OE1 3.49Å; S104-E146 PolarHBondContact OG-OE1 2.95Å | ||
| 105 | A | 77 | Confident | 82.4 | Confident | 12 Ų | 12 | 41.7 Ų | 41.7 | 10% | 0.099 | 20% | 0.204 | C | C | . | . | S | Bend | trans | -84.9 | -17.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | R117 K119 Q121 | A105-R117 WeakPolarHBondContact O-CD 3.49Å; A105-R117 PolarHBondContact O-NH1 2.71Å; A105-K119 HydrophobicContact CB-CB 4.48Å; A105-K119 WeakPolarHBondContact CB-O 3.46Å; A105-Q121 HydrophobicContact CB-CB 4.12Å |
| 106 | E | 75.7 | Confident | 82.5 | Confident | 29 Ų | 29 | 41.7 Ų | 41.7 | 14% | 0.136 | 20% | 0.204 | C | C | . | . | trans | -101.2 | 155.3 | -178.3 | -65.1 | -177 | -169.2 | 0 | 0 | 110.8 | Q85 S104 S149 N153 | Q85-E106 PolarHBondContact NE2-O 3.26Å; Q85-E106 PolarHBondContact OE1-O 3.26Å; S104-E106 VanDerWaalsContact C-N 3.35Å; S104-E106 PolarHBondContact OG-N 3.42Å; E106-S149 WeakPolarHBondContact OE2-CB 3.44Å; E106-S149 PolarHBondContact OE2-OG 3.37Å; E106-N153 PolarHBondContact OE1-ND2 3.24Å; E106-N153 PolarHBondContact OE2-ND2 3.11Å | ||
| 107 | S | 70.3 | Confident | 82.4 | Confident | 21 Ų | 21 | 40 Ų | 40 | 15% | 0.147 | 19% | 0.194 | C | C | . | . | trans | -154 | 161.4 | 161.7 | 111.5 | 0 | 0 | 0 | 0 | 109.2 | E109 E115 R117 | S107-E109 PolarHBondContact O-N 3.24Å; S107-E115 WeakPolarHBondContact CB-OE2 3.47Å; S107-E115 PolarHBondContact OG-OE2 3.41Å; S107-R117 VanDerWaalsContact CB-NH2 3.28Å; S107-R117 VanDerWaalsContact N-CZ 3.3Å; S107-R117 PolarHBondContact OG-NH2 3.35Å | ||
| 108 | N | 69.1 | Low | 82.4 | Confident | 68 Ų | 68 | 40 Ų | 40 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | trans | -70.3 | 119.8 | -175.9 | -173.3 | -5.6 | 0 | 0 | 0 | 110.1 | A110 Y111 | N108-A110 PolarHBondContact O-N 3.36Å; N108-A110 PolarHBondContact OD1-N 3.29Å; N108-Y111 CarbonylContact O-C 3.5Å; N108-Y111 PolarHBondContact O-N 2.98Å | ||
| 109 | E | 67.1 | Low | 82.2 | Confident | 196 Ų | 196 | 40.5 Ų | 40.5 | 92% | 0.916 | 20% | 0.197 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.9 | -21 | -176.8 | -63.2 | -172.1 | 160.2 | 0 | 0 | 114.6 | S107 Y111 | S107-E109 PolarHBondContact O-N 3.24Å; E109-Y111 PolarHBondContact O-N 3.17Å |
| 110 | A | 67.1 | Low | 82.1 | Confident | 65 Ų | 65 | 40.5 Ų | 40.5 | 54% | 0.537 | 20% | 0.197 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | -26 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N108 | N108-A110 PolarHBondContact O-N 3.36Å; N108-A110 PolarHBondContact OD1-N 3.29Å |
| 111 | Y | 69.4 | Low | 81.8 | Confident | 119 Ų | 119 | 42.5 Ų | 42.5 | 47% | 0.467 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -143.4 | 165.7 | -176.6 | -53.9 | -74.5 | 0 | 0 | 0 | 110.8 | N108 E109 | N108-Y111 CarbonylContact O-C 3.5Å; N108-Y111 PolarHBondContact O-N 2.98Å; E109-Y111 PolarHBondContact O-N 3.17Å |
| 112 | G | 72.9 | Confident | 81.8 | Confident | 8 Ų | 8 | 42.9 Ų | 42.9 | 8% | 0.082 | 21% | 0.208 | C | C | . | . | trans | 105.9 | 27.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | D93 F114 E115 | D93-G112 PolarHBondContact OD2-N 2.87Å; G112-F114 PolarHBondContact O-N 3.39Å; G112-E115 PolarHBondContact O-N 2.92Å | ||
| 113 | R | 84 | Confident | 82 | Confident | 207 Ų | 207 | 42.9 Ų | 42.9 | 78% | 0.781 | 21% | 0.208 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.6 | -24.4 | 171.4 | -62.5 | -178.2 | -177.6 | 177.8 | 1.3 | 112.9 | D93 Y355 | D93-R113 WeakPolarHBondContact OD1-CA 3.38Å; D93-R113 WeakPolarHBondContact OD1-CB 3.24Å; D93-R113 PolarHBondContact OD1-N 3.14Å; D93-R113 PolarHBondContact OD2-N 3.46Å; R113-Y355 WeakPolarHBondContact O-CE1 2.95Å; R113-Y355 PolarHBondContact O-OH 2.77Å |
| 114 | F | 91.4 | Very high | 82.6 | Confident | 27 Ų | 27 | 44.2 Ų | 44.2 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.2 | 22.3 | 175.8 | -78.1 | -98.8 | 0 | 0 | 0 | 112.7 | S92 D93 Q96 P98 F99 G112 P352 Y355 | S92-F114 WeakPolarHBondContact OG-CB 3.4Å; S92-F114 PolarHBondContact OG-O 2.73Å; S92-F114 VanDerWaalsContact OG-O 3.13Å; D93-F114 PolarHBondContact OD1-N 3.07Å; Q96-F114 HydrophobicContact CB-CD1 4.45Å; Q96-F114 HydrophobicContact CB-CE1 3.88Å; Q96-F114 HydrophobicContact CB-CE2 4.33Å; Q96-F114 HydrophobicContact CB-CZ 3.83Å; Q96-F114 HydrophobicContact CG-CE1 4.41Å; Q96-F114 HydrophobicContact CG-CE2 4.03Å; Q96-F114 HydrophobicContact CG-CZ 3.85Å; P98-F114 WeakPolarHBondContact CA-O 3.43Å; F99-F114 PolarHBondContact N-O 3.45Å; G112-F114 PolarHBondContact O-N 3.39Å; F114-P352 HydrophobicContact CE1-CB 4.33Å; F114-P352 HydrophobicContact CE1-CG 4.18Å; F114-P352 HydrophobicContact CZ-CB 4.27Å; F114-P352 HydrophobicContact CZ-CG 3.98Å; F114-Y355 HydrophobicContact CB-CD2 4.49Å; F114-Y355 HydrophobicContact CD1-CD2 4.4Å; F114-Y355 HydrophobicContact CD1-CG 4.05Å |
| 115 | E | 91.6 | Very high | 83.2 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 139.1 | 178.2 | -173.6 | 179.9 | -160 | 0 | 0 | 111.7 | Q85 F99 S107 G112 R117 Y355 | Q85-E115 WeakPolarHBondContact CG-OE1 3.17Å; Q85-E115 PolarHBondContact NE2-OE1 3.47Å; F99-E115 HydrophobicContact CD1-CB 4.42Å; F99-E115 HydrophobicContact CD1-CG 3.84Å; F99-E115 HydrophobicContact CE1-CG 4.35Å; F99-E115 CarbonylContact O-C 3.59Å; F99-E115 VanDerWaalsContact O-CA 3.27Å; F99-E115 WeakPolarHBondContact O-CA 3.49Å; S107-E115 WeakPolarHBondContact CB-OE2 3.47Å; S107-E115 PolarHBondContact OG-OE2 3.41Å; G112-E115 PolarHBondContact O-N 2.92Å; E115-R117 HydrophobicContact CG-CG 4.14Å; E115-R117 IonicContact OE2-NE 3.66Å; E115-Y355 WeakPolarHBondContact O-CE2 3.35Å; E115-Y355 PolarHBondContact O-OH 3.05Å |
| 116 | L | 93.4 | Very high | 84 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 132.5 | 165.8 | -66.1 | 179.6 | 0 | 0 | 0 | 109.3 | F99 I100 S101 L297 Y355 L358 K359 F372 G376 | F99-L116 PolarHBondContact O-N 3.02Å; I100-L116 CarbonylContact C-O 3.54Å; I100-L116 WeakPolarHBondContact CA-O 3.37Å; I100-L116 HydrophobicContact CG1-CB 4.29Å; I100-L116 HydrophobicContact CG1-CD1 4.44Å; S101-L116 PolarHBondContact N-O 2.96Å; L116-L297 HydrophobicContact CD1-CD2 4.17Å; L116-Y355 HydrophobicContact CD2-CE2 3.77Å; L116-Y355 HydrophobicContact CG-CD2 4.36Å; L116-Y355 HydrophobicContact CG-CE2 3.77Å; L116-L358 HydrophobicContact CD1-CB 3.43Å; L116-L358 VanDerWaalsContact CD1-CB 3.43Å; L116-L358 HydrophobicContact CD1-CD1 4.36Å; L116-L358 HydrophobicContact CD1-CG 4.42Å; L116-K359 HydrophobicContact CD2-CB 4.23Å; L116-K359 HydrophobicContact CD2-CG 4.44Å; L116-F372 HydrophobicContact CB-CE1 4.29Å; L116-F372 HydrophobicContact CD2-CB 4.49Å; L116-F372 HydrophobicContact CD2-CD1 4.27Å; L116-F372 HydrophobicContact CD2-CD2 4.48Å; L116-F372 HydrophobicContact CD2-CG 4.15Å; L116-G376 WeakPolarHBondContact CA-O 3.41Å |
| 117 | R | 91.4 | Very high | 84.9 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 9% | 0.091 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 107.7 | -173.5 | -53.6 | 179.7 | -161.4 | 159.9 | 0.7 | 109.5 | A105 S107 E115 F372 G376 R378 | A105-R117 WeakPolarHBondContact O-CD 3.49Å; A105-R117 PolarHBondContact O-NH1 2.71Å; S107-R117 VanDerWaalsContact CB-NH2 3.28Å; S107-R117 VanDerWaalsContact N-CZ 3.3Å; S107-R117 PolarHBondContact OG-NH2 3.35Å; E115-R117 HydrophobicContact CG-CG 4.14Å; E115-R117 IonicContact OE2-NE 3.66Å; R117-F372 WeakPolarHBondContact O-CE1 3.45Å; R117-G376 PolarHBondContact N-O 3.26Å; R117-R378 WeakPolarHBondContact O-CG 3.24Å; R117-R378 PolarHBondContact O-N 3.15Å |
| 118 | M | 93 | Very high | 86 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.225 | C | C | . | . | trans | -77.4 | -27.7 | -174 | -68.5 | -70.4 | -60.5 | 0 | 0 | 113.2 | I100 S101 W102 L290 D293 S294 L297 V370 F372 R378 | I100-M118 HydrophobicContact CG2-CG 3.32Å; I100-M118 HydrophobicContact CG2-SD 3.95Å; S101-M118 WeakPolarHBondContact O-CB 3.06Å; S101-M118 PolarHBondContact O-N 3.27Å; W102-M118 HydrophobicContact CB-CB 4.28Å; M118-L290 HydrophobicContact CB-CD2 4.03Å; M118-L290 VanDerWaalsContact O-CD2 3.3Å; M118-L290 WeakPolarHBondContact O-CD2 3.37Å; M118-D293 HydrophobicContact CE-CB 3.69Å; M118-S294 WeakPolarHBondContact CG-OG 3.42Å; M118-L297 HydrophobicContact SD-CD2 3.8Å; M118-V370 HydrophobicContact CE-CG1 4.21Å; M118-V370 HydrophobicContact SD-CG1 4.49Å; M118-F372 HydrophobicContact SD-CE1 4.19Å; M118-F372 HydrophobicContact SD-CZ 3.58Å; M118-F372 VanDerWaalsContact SD-CZ 3.58Å; M118-R378 VanDerWaalsContact O-CG 3.31Å; M118-R378 WeakPolarHBondContact O-CG 3.31Å; M118-R378 PolarHBondContact O-NE 3.45Å; M118-R378 PolarHBondContact O-NH2 3.09Å | ||
| 119 | K | 90.8 | Very high | 87.2 | Confident | 12 Ų | 12 | 43.3 Ų | 43.3 | 5% | 0.052 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -74 | 127 | -179.7 | -171.8 | 176.2 | 177.9 | -169 | 0 | 110 | L103 A105 E146 L290 | L103-K119 WeakPolarHBondContact O-CD 3.35Å; L103-K119 WeakPolarHBondContact O-CE 3.5Å; L103-K119 PolarHBondContact O-NZ 2.92Å; A105-K119 HydrophobicContact CB-CB 4.48Å; A105-K119 WeakPolarHBondContact CB-O 3.46Å; K119-E146 IonicContact NZ-OE1 3.83Å; K119-L290 HydrophobicContact CB-CD1 4.35Å |
| 120 | P | 91.2 | Very high | 88.5 | Confident | 1 Ų | 1 | 34 Ų | 34 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | P | Polyproline II helix | trans | -65.7 | 146 | 174.2 | -20.2 | 32.4 | 0 | 0 | 0 | 112.7 | Y253 Y381 | P120-Y253 HydrophobicContact CG-CD1 4.31Å; P120-Y253 HydrophobicContact CG-CD2 4.45Å; P120-Y253 HydrophobicContact CG-CG 4.13Å; P120-Y381 HydrophobicContact CB-CD1 4.03Å; P120-Y381 HydrophobicContact CB-CD2 3.61Å; P120-Y381 HydrophobicContact CB-CE1 4.03Å; P120-Y381 HydrophobicContact CB-CE2 3.59Å; P120-Y381 HydrophobicContact CB-CG 3.83Å; P120-Y381 HydrophobicContact CG-CD2 4.37Å; P120-Y381 HydrophobicContact CG-CG 4.34Å |
| 121 | Q | 88.5 | Confident | 89.7 | Confident | 42 Ų | 42 | 32.8 Ų | 32.8 | 20% | 0.196 | 15% | 0.151 | C | C | . | . | P | Polyproline II helix | trans | -81 | 119.3 | 174.6 | -173.4 | 174.6 | -26.7 | 0 | 0 | 110.1 | A105 Y381 | A105-Q121 HydrophobicContact CB-CB 4.12Å; Q121-Y381 PolarHBondContact N-OH 2.86Å; Q121-Y381 PolarHBondContact O-OH 2.91Å |
| 122 | K | 89.6 | Confident | 90.8 | Very high | 10 Ų | 10 | 33.5 Ų | 33.5 | 4% | 0.043 | 16% | 0.162 | C | C | . | . | trans | -91.4 | -13.4 | -177.5 | -63 | 177.8 | -176.7 | 175.5 | 0 | 113.5 | D124 A125 I126 A229 G230 L383 | K122-D124 VanDerWaalsContact C-N 3.34Å; K122-D124 PolarHBondContact O-N 3.37Å; K122-A125 PolarHBondContact O-N 3.35Å; K122-I126 HydrophobicContact CB-CD1 3.94Å; K122-I126 HydrophobicContact CB-CG1 4.42Å; K122-I126 WeakPolarHBondContact O-CG1 3.37Å; K122-I126 PolarHBondContact O-N 2.85Å; K122-A229 WeakPolarHBondContact CD-O 3.24Å; K122-G230 PolarHBondContact NZ-O 3.33Å; K122-L383 HydrophobicContact CG-CD1 4.27Å | ||
| 123 | T | 90.8 | Very high | 91.7 | Very high | 4 Ų | 4 | 36 Ų | 36 | 3% | 0.025 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -50.4 | -49.3 | -172.4 | -46.5 | 0 | 0 | 0 | 0 | 113.1 | A125 I126 G127 N153 L154 | T123-A125 VanDerWaalsContact C-N 3.35Å; T123-A125 PolarHBondContact O-N 2.81Å; T123-I126 PolarHBondContact O-N 3.34Å; T123-G127 PolarHBondContact O-N 2.76Å; T123-N153 HydrophobicContact CG2-CB 3.88Å; T123-L154 HydrophobicContact CG2-CB 3.97Å; T123-L154 HydrophobicContact CG2-CD1 4.46Å; T123-L154 VanDerWaalsContact CG2-N 3.34Å |
| 124 | D | 90.9 | Very high | 92 | Very high | 70 Ų | 70 | 32 Ų | 32 | 37% | 0.374 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -64.9 | -40.5 | -177.7 | -57.7 | -7.6 | 0 | 0 | 0 | 111.2 | K122 G127 D128 Y157 | K122-D124 VanDerWaalsContact C-N 3.34Å; K122-D124 PolarHBondContact O-N 3.37Å; D124-G127 PolarHBondContact O-N 3Å; D124-D128 WeakPolarHBondContact O-CB 3.15Å; D124-D128 VanDerWaalsContact O-CG 3.32Å; D124-D128 PolarHBondContact O-N 2.84Å; D124-Y157 HydrophobicContact CB-CD2 4.45Å; D124-Y157 HydrophobicContact CB-CE2 4.04Å |
| 125 | A | 91.9 | Very high | 92.1 | Very high | 26 Ų | 26 | 30.9 Ų | 30.9 | 22% | 0.215 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -69.6 | -35.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | K122 T123 G127 D128 F129 F251 L383 | K122-A125 PolarHBondContact O-N 3.35Å; T123-A125 VanDerWaalsContact C-N 3.35Å; T123-A125 PolarHBondContact O-N 2.81Å; A125-G127 VanDerWaalsContact C-N 3.34Å; A125-D128 PolarHBondContact O-N 3.13Å; A125-F129 WeakPolarHBondContact O-CB 3.49Å; A125-F129 PolarHBondContact O-N 3.02Å; A125-F251 HydrophobicContact CB-CE1 4.16Å; A125-F251 HydrophobicContact CB-CZ 4.24Å; A125-L383 HydrophobicContact CB-CD1 3.59Å |
| 126 | I | 93.8 | Very high | 92.1 | Very high | 6 Ų | 6 | 36.6 Ų | 36.6 | 3% | 0.031 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.7 | -44 | 171.3 | -67.1 | 161.6 | 0 | 0 | 0 | 109.5 | K122 T123 F129 I130 L154 I198 L227 A229 F251 | K122-I126 HydrophobicContact CB-CD1 3.94Å; K122-I126 HydrophobicContact CB-CG1 4.42Å; K122-I126 WeakPolarHBondContact O-CG1 3.37Å; K122-I126 PolarHBondContact O-N 2.85Å; T123-I126 PolarHBondContact O-N 3.34Å; I126-F129 PolarHBondContact O-N 3.1Å; I126-I130 HydrophobicContact CG2-CD1 3.98Å; I126-I130 VanDerWaalsContact O-CG1 3.27Å; I126-I130 WeakPolarHBondContact O-CG1 3.37Å; I126-I130 PolarHBondContact O-N 2.88Å; I126-L154 HydrophobicContact CB-CD1 4.27Å; I126-L154 HydrophobicContact CG2-CD1 3.85Å; I126-L154 HydrophobicContact CG2-CD2 3.78Å; I126-L154 HydrophobicContact CG2-CG 4.48Å; I126-I198 HydrophobicContact CG2-CD1 4.36Å; I126-L227 HydrophobicContact CB-CD2 4.49Å; I126-L227 HydrophobicContact CG1-CD2 4.36Å; I126-L227 HydrophobicContact CG2-CD2 3.79Å; I126-A229 HydrophobicContact CD1-CB 3.65Å; I126-A229 HydrophobicContact CG1-CB 4.47Å; I126-F251 HydrophobicContact CB-CE2 4.49Å; I126-F251 HydrophobicContact CG1-CD2 4.14Å; I126-F251 HydrophobicContact CG1-CE2 3.68Å |
| 127 | G | 94 | Very high | 92 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.3 | -46.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T123 D124 A125 F129 I130 L131 | T123-G127 PolarHBondContact O-N 2.76Å; D124-G127 PolarHBondContact O-N 3Å; A125-G127 VanDerWaalsContact C-N 3.34Å; G127-F129 VanDerWaalsContact C-N 3.33Å; G127-F129 PolarHBondContact O-N 3.17Å; G127-I130 PolarHBondContact O-N 3.28Å; G127-L131 VanDerWaalsContact O-CG 3.29Å; G127-L131 WeakPolarHBondContact O-CG 3.41Å; G127-L131 PolarHBondContact O-N 2.93Å |
| 128 | D | 93.8 | Very high | 92.2 | Very high | 79 Ų | 79 | 38.4 Ų | 38.4 | 42% | 0.422 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -64 | -36.8 | 176.3 | -72.6 | -12.7 | 0 | 0 | 0 | 112.3 | D124 A125 L131 L132 Y157 | D124-D128 WeakPolarHBondContact O-CB 3.15Å; D124-D128 VanDerWaalsContact O-CG 3.32Å; D124-D128 PolarHBondContact O-N 2.84Å; A125-D128 PolarHBondContact O-N 3.13Å; D128-L131 PolarHBondContact O-N 2.81Å; D128-L132 VanDerWaalsContact O-CB 3.27Å; D128-L132 WeakPolarHBondContact O-CB 3.38Å; D128-L132 PolarHBondContact O-N 2.7Å; D128-Y157 PolarHBondContact OD1-OH 3.45Å |
| 129 | F | 94.6 | Very high | 92.3 | Very high | 11 Ų | 11 | 39.2 Ų | 39.2 | 5% | 0.048 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.2 | -44.9 | 173.5 | 176.7 | -92.1 | 0 | 0 | 0 | 112 | A125 I126 G127 L131 L132 K133 W135 H225 L227 F251 L385 | A125-F129 WeakPolarHBondContact O-CB 3.49Å; A125-F129 PolarHBondContact O-N 3.02Å; I126-F129 PolarHBondContact O-N 3.1Å; G127-F129 VanDerWaalsContact C-N 3.33Å; G127-F129 PolarHBondContact O-N 3.17Å; F129-L131 VanDerWaalsContact C-N 3.32Å; F129-L131 PolarHBondContact O-N 2.74Å; F129-L132 PolarHBondContact O-N 3.26Å; F129-K133 HydrophobicContact CD1-CG 4.39Å; F129-K133 HydrophobicContact CD2-CG 4.28Å; F129-K133 HydrophobicContact CE1-CG 4.03Å; F129-K133 HydrophobicContact CE2-CD 4.43Å; F129-K133 HydrophobicContact CE2-CG 3.9Å; F129-K133 HydrophobicContact CZ-CD 4.43Å; F129-K133 HydrophobicContact CZ-CG 3.78Å; F129-K133 WeakPolarHBondContact O-CB 3.45Å; F129-K133 WeakPolarHBondContact O-CG 3.45Å; F129-K133 PolarHBondContact O-N 3.26Å; F129-W135 AromaticContact CE1-CH2 3.86Å; F129-W135 HydrophobicContact CE1-CH2 3.86Å; F129-W135 AromaticContact CE1-CZ2 3.6Å; F129-W135 HydrophobicContact CE1-CZ2 3.6Å; F129-W135 HydrophobicContact CZ-CZ2 4.36Å; F129-H225 AromaticContact CZ-CE1 3.64Å; F129-H225 AromaticContact CZ-NE2 3.74Å; F129-L227 HydrophobicContact CD1-CD1 4.26Å; F129-L227 HydrophobicContact CD1-CD2 3.8Å; F129-L227 HydrophobicContact CE1-CB 4.49Å; F129-L227 HydrophobicContact CE1-CD1 4.11Å; F129-L227 HydrophobicContact CE1-CD2 4.12Å; F129-L227 HydrophobicContact CE1-CG 4.48Å; F129-L227 HydrophobicContact CZ-CD1 4.45Å; F129-F251 HydrophobicContact CB-CZ 3.97Å; F129-F251 HydrophobicContact CG-CZ 4.41Å; F129-L385 HydrophobicContact CD2-CD1 4.41Å; F129-L385 HydrophobicContact CD2-CD2 3.79Å; F129-L385 HydrophobicContact CE2-CD1 4.37Å; F129-L385 HydrophobicContact CE2-CD2 3.87Å |
| 130 | I | 94.4 | Very high | 92.6 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.6 | -42.4 | 175.2 | -71.5 | 170.9 | 0 | 0 | 0 | 110.8 | I126 G127 Q134 W135 F138 L154 L158 M163 V165 I198 | I126-I130 HydrophobicContact CG2-CD1 3.98Å; I126-I130 VanDerWaalsContact O-CG1 3.27Å; I126-I130 WeakPolarHBondContact O-CG1 3.37Å; I126-I130 PolarHBondContact O-N 2.88Å; G127-I130 PolarHBondContact O-N 3.28Å; I130-Q134 WeakPolarHBondContact O-CA 3.44Å; I130-Q134 PolarHBondContact O-N 3.43Å; I130-W135 HydrophobicContact CG1-CD2 4.43Å; I130-W135 HydrophobicContact CG1-CE3 3.84Å; I130-W135 HydrophobicContact CG1-CZ3 4.41Å; I130-W135 HydrophobicContact CG2-CB 4.1Å; I130-W135 PolarHBondContact O-N 2.84Å; I130-W135 VanDerWaalsContact O-N 3.16Å; I130-F138 HydrophobicContact CD1-CD1 4.35Å; I130-F138 HydrophobicContact CD1-CE1 4.13Å; I130-L154 HydrophobicContact CD1-CD1 4.21Å; I130-L154 HydrophobicContact CD1-CD2 3.96Å; I130-L154 HydrophobicContact CD1-CG 4.48Å; I130-L158 HydrophobicContact CB-CD2 4.3Å; I130-L158 HydrophobicContact CD1-CD1 4.25Å; I130-L158 HydrophobicContact CG2-CD1 4.28Å; I130-L158 HydrophobicContact CG2-CD2 3.87Å; I130-M163 HydrophobicContact CG2-CE 4.12Å; I130-V165 HydrophobicContact CG2-CG2 4.35Å; I130-I198 HydrophobicContact CD1-CD1 3.92Å |
| 131 | L | 93.1 | Very high | 92.8 | Very high | 40 Ų | 40 | 38.9 Ų | 38.9 | 21% | 0.209 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63 | -44.9 | 174.8 | -72.1 | 165.3 | 0 | 0 | 0 | 111.3 | G127 D128 F129 Q134 Y157 L158 K161 M163 | G127-L131 VanDerWaalsContact O-CG 3.29Å; G127-L131 WeakPolarHBondContact O-CG 3.41Å; G127-L131 PolarHBondContact O-N 2.93Å; D128-L131 PolarHBondContact O-N 2.81Å; F129-L131 VanDerWaalsContact C-N 3.32Å; F129-L131 PolarHBondContact O-N 2.74Å; L131-Q134 PolarHBondContact O-N 2.82Å; L131-Q134 PolarHBondContact O-NE2 2.77Å; L131-Y157 HydrophobicContact CD1-CE1 4.35Å; L131-L158 HydrophobicContact CG-CD2 4.34Å; L131-K161 HydrophobicContact CD1-CB 4.18Å; L131-K161 HydrophobicContact CD1-CG 4.03Å; L131-K161 HydrophobicContact CD2-CB 4.34Å; L131-M163 HydrophobicContact CD2-CB 4Å; L131-M163 HydrophobicContact CD2-CG 4.37Å; L131-M163 HydrophobicContact CD2-SD 3.41Å; L131-M163 WeakPolarHBondContact CD2-SD 3.09Å; L131-M163 HydrophobicContact CG-SD 4.25Å |
| 132 | L | 92.6 | Very high | 93.1 | Very high | 135 Ų | 135 | 38.5 Ų | 38.5 | 71% | 0.707 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -67.8 | -41 | -178.4 | -174.8 | 143.6 | 0 | 0 | 0 | 112.1 | D128 F129 Q134 | D128-L132 VanDerWaalsContact O-CB 3.27Å; D128-L132 WeakPolarHBondContact O-CB 3.38Å; D128-L132 PolarHBondContact O-N 2.7Å; F129-L132 PolarHBondContact O-N 3.26Å; L132-Q134 VanDerWaalsContact C-N 3.31Å |
| 133 | K | 91.7 | Very high | 93 | Very high | 59 Ų | 59 | 38.5 Ų | 38.5 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -84.8 | -1.2 | 177.1 | -61.8 | -72.6 | -172.9 | 170.9 | 0 | 113.3 | F129 W135 E387 E389 | F129-K133 HydrophobicContact CD1-CG 4.39Å; F129-K133 HydrophobicContact CD2-CG 4.28Å; F129-K133 HydrophobicContact CE1-CG 4.03Å; F129-K133 HydrophobicContact CE2-CD 4.43Å; F129-K133 HydrophobicContact CE2-CG 3.9Å; F129-K133 HydrophobicContact CZ-CD 4.43Å; F129-K133 HydrophobicContact CZ-CG 3.78Å; F129-K133 WeakPolarHBondContact O-CB 3.45Å; F129-K133 WeakPolarHBondContact O-CG 3.45Å; F129-K133 PolarHBondContact O-N 3.26Å; K133-W135 VanDerWaalsContact C-N 3.34Å; K133-W135 HydrophobicContact CB-CG 4.42Å; K133-W135 PolarHBondContact O-N 2.76Å; K133-E387 WeakPolarHBondContact CE-OE2 3.21Å; K133-E387 IonicContact NZ-OE1 3.88Å; K133-E387 IonicContact NZ-OE2 2.71Å; K133-E387 PolarHBondContact NZ-OE2 3.19Å; K133-E389 IonicContact NZ-OE1 3.31Å; K133-E389 PolarHBondContact NZ-OE1 2.8Å |
| 134 | Q | 90.7 | Very high | 92.7 | Very high | 125 Ų | 125 | 38.7 Ų | 38.7 | 58% | 0.584 | 20% | 0.201 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.4 | 36.2 | 176.1 | -64.1 | -72.2 | -52.4 | 0 | 0 | 114.9 | I130 L131 L132 Q136 | I130-Q134 WeakPolarHBondContact O-CA 3.44Å; I130-Q134 PolarHBondContact O-N 3.43Å; L131-Q134 PolarHBondContact O-N 2.82Å; L131-Q134 PolarHBondContact O-NE2 2.77Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; Q134-Q136 PolarHBondContact O-N 2.85Å; Q134-Q136 PolarHBondContact O-NE2 2.99Å |
| 135 | W | 93.2 | Very high | 92.3 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.011 | 21% | 0.214 | C | C | . | . | trans | -68.3 | 113.1 | -177.6 | -68.5 | 2.2 | 0 | 0 | 0 | 112.4 | F129 I130 K133 F138 M163 H196 I198 H225 L227 | F129-W135 AromaticContact CE1-CH2 3.86Å; F129-W135 HydrophobicContact CE1-CH2 3.86Å; F129-W135 AromaticContact CE1-CZ2 3.6Å; F129-W135 HydrophobicContact CE1-CZ2 3.6Å; F129-W135 HydrophobicContact CZ-CZ2 4.36Å; I130-W135 HydrophobicContact CG1-CD2 4.43Å; I130-W135 HydrophobicContact CG1-CE3 3.84Å; I130-W135 HydrophobicContact CG1-CZ3 4.41Å; I130-W135 HydrophobicContact CG2-CB 4.1Å; I130-W135 PolarHBondContact O-N 2.84Å; I130-W135 VanDerWaalsContact O-N 3.16Å; K133-W135 VanDerWaalsContact C-N 3.34Å; K133-W135 HydrophobicContact CB-CG 4.42Å; K133-W135 PolarHBondContact O-N 2.76Å; W135-F138 HydrophobicContact CE3-CB 4.17Å; W135-F138 HydrophobicContact CZ3-CB 4.43Å; W135-M163 WeakPolarHBondContact O-CE 3.24Å; W135-H196 AromaticContact CD1-CD2 3.45Å; W135-H196 VanDerWaalsContact CD1-CD2 3.45Å; W135-H196 AromaticContact CD1-CE1 3.71Å; W135-H196 AromaticContact CD1-CG 3.76Å; W135-H196 AromaticContact CD1-ND1 3.91Å; W135-H196 AromaticContact CD1-NE2 3.42Å; W135-H196 HydrophobicContact CD2-CB 3.56Å; W135-H196 AromaticContact CD2-CD2 3.73Å; W135-H196 AromaticContact CD2-CG 3.48Å; W135-H196 VanDerWaalsContact CD2-CG 3.48Å; W135-H196 AromaticContact CE2-CD2 3.35Å; W135-H196 AromaticContact CE2-CG 3.6Å; W135-H196 HydrophobicContact CE3-CB 3.5Å; W135-H196 AromaticContact CE3-CG 3.98Å; W135-H196 HydrophobicContact CG-CB 4.14Å; W135-H196 AromaticContact CG-CD2 3.78Å; W135-H196 AromaticContact CG-CE1 3.94Å; W135-H196 AromaticContact CG-CG 3.6Å; W135-H196 AromaticContact CG-ND1 3.7Å; W135-H196 AromaticContact CG-NE2 3.99Å; W135-H196 HydrophobicContact CH2-CB 3.91Å; W135-H196 HydrophobicContact CZ2-CB 3.98Å; W135-H196 AromaticContact CZ2-CD2 3.87Å; W135-H196 HydrophobicContact CZ3-CB 3.69Å; W135-H196 AromaticContact NE1-CD2 3.18Å; W135-H196 PolarHBondContact NE1-CD2 3.47Å; W135-H196 AromaticContact NE1-CG 3.77Å; W135-H196 AromaticContact NE1-NE2 3.52Å; W135-I198 HydrophobicContact CZ3-CD1 4.4Å; W135-I198 HydrophobicContact CZ3-CG1 3.96Å; W135-H225 HydrophobicContact CZ2-CB 3.95Å; W135-H225 AromaticContact CZ2-CE1 4Å; W135-H225 AromaticContact CZ2-CG 3.57Å; W135-H225 AromaticContact CZ2-ND1 3.57Å; W135-L227 HydrophobicContact CH2-CB 3.83Å; W135-L227 HydrophobicContact CZ3-CB 4.31Å | ||
| 136 | Q | 89.9 | Confident | 91.7 | Very high | 120 Ų | 120 | 41 Ų | 41 | 56% | 0.561 | 21% | 0.208 | S | C | * | . | S | Bend | trans | -78.4 | -24.7 | 178.9 | -59.6 | -59.5 | -42.5 | 0 | 0 | 113.4 | Q134 N166 | Q134-Q136 PolarHBondContact O-N 2.85Å; Q134-Q136 PolarHBondContact O-NE2 2.99Å; Q136-N166 PolarHBondContact O-N 2.83Å; Q136-N166 VanDerWaalsContact O-N 3.13Å |
| 137 | S | 92.7 | Very high | 91.4 | Very high | 58 Ų | 58 | 40.7 Ų | 40.7 | 41% | 0.406 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 153.1 | 175.5 | 62.7 | 0 | 0 | 0 | 0 | 111.3 | N166 H196 | S137-N166 CarbonylContact C-O 3.45Å; S137-N166 WeakPolarHBondContact CA-O 3.41Å; S137-N166 VanDerWaalsContact CB-O 3.32Å; S137-N166 WeakPolarHBondContact CB-O 3.38Å; S137-H196 PolarHBondContact O-ND1 3.25Å |
| 138 | F | 95.2 | Very high | 91.1 | Very high | 6 Ų | 6 | 43.3 Ų | 43.3 | 3% | 0.026 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.6 | 157 | 171.4 | 63.1 | -95.4 | 0 | 0 | 0 | 111.9 | I130 W135 F140 L151 L154 L158 V165 N166 S167 N168 H196 I198 | I130-F138 HydrophobicContact CD1-CD1 4.35Å; I130-F138 HydrophobicContact CD1-CE1 4.13Å; W135-F138 HydrophobicContact CE3-CB 4.17Å; W135-F138 HydrophobicContact CZ3-CB 4.43Å; F138-F140 HydrophobicContact CD2-CB 4.26Å; F138-F140 HydrophobicContact CE2-CB 4.02Å; F138-F140 HydrophobicContact CE2-CD2 4.05Å; F138-F140 HydrophobicContact CE2-CG 4.49Å; F138-L151 HydrophobicContact CE2-CD1 3.81Å; F138-L151 HydrophobicContact CZ-CD1 3.89Å; F138-L154 HydrophobicContact CZ-CD2 4.1Å; F138-L158 HydrophobicContact CE1-CD1 4.42Å; F138-V165 HydrophobicContact CD1-CG1 3.53Å; F138-V165 HydrophobicContact CE1-CB 4.35Å; F138-V165 HydrophobicContact CE1-CG1 3.59Å; F138-N166 PolarHBondContact N-O 2.84Å; F138-S167 VanDerWaalsContact O-CA 3.32Å; F138-S167 WeakPolarHBondContact O-CA 3.35Å; F138-N168 PolarHBondContact O-N 2.8Å; F138-H196 CarbonylContact C-O 3.52Å; F138-H196 VanDerWaalsContact CA-O 3.24Å; F138-H196 WeakPolarHBondContact CA-O 3.02Å; F138-H196 HydrophobicContact CB-CB 3.98Å; F138-I198 HydrophobicContact CB-CG1 4.44Å; F138-I198 HydrophobicContact CD1-CD1 4.25Å; F138-I198 HydrophobicContact CD2-CB 4.45Å; F138-I198 HydrophobicContact CD2-CD1 3.55Å; F138-I198 HydrophobicContact CD2-CG1 3.9Å; F138-I198 HydrophobicContact CE1-CD1 4.35Å; F138-I198 HydrophobicContact CE2-CD1 3.67Å; F138-I198 HydrophobicContact CE2-CG1 4.42Å; F138-I198 HydrophobicContact CG-CD1 3.88Å; F138-I198 HydrophobicContact CG-CG1 4.22Å; F138-I198 HydrophobicContact CZ-CD1 4.07Å |
| 139 | T | 95.8 | Very high | 90.7 | Very high | 17 Ų | 17 | 40 Ų | 40 | 10% | 0.104 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 124.2 | 168.6 | -57.6 | 0 | 0 | 0 | 0 | 109.7 | L141 N168 I170 F186 H196 V197 I198 | T139-L141 HydrophobicContact CG2-CD2 3.84Å; T139-N168 CarbonylContact C-O 3.49Å; T139-N168 VanDerWaalsContact CA-O 3.31Å; T139-N168 WeakPolarHBondContact CA-O 3.32Å; T139-N168 HydrophobicContact CG2-CB 4.39Å; T139-I170 HydrophobicContact CG2-CD1 3.76Å; T139-I170 HydrophobicContact CG2-CG1 4.09Å; T139-F186 HydrophobicContact CG2-CE2 3.88Å; T139-F186 HydrophobicContact CG2-CZ 3.82Å; T139-H196 PolarHBondContact N-O 2.99Å; T139-V197 CarbonylContact O-C 3.49Å; T139-V197 WeakPolarHBondContact O-CA 3.01Å; T139-I198 PolarHBondContact O-N 3.18Å |
| 140 | F | 96.3 | Very high | 90.4 | Very high | 5 Ų | 5 | 40.5 Ų | 40.5 | 2% | 0.022 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 109.6 | 178.4 | -163.6 | -95.6 | 0 | 0 | 0 | 110.5 | F138 Y142 G147 L151 N168 V169 I170 I198 H200 | F138-F140 HydrophobicContact CD2-CB 4.26Å; F138-F140 HydrophobicContact CE2-CB 4.02Å; F138-F140 HydrophobicContact CE2-CD2 4.05Å; F138-F140 HydrophobicContact CE2-CG 4.49Å; F140-Y142 HydrophobicContact CD1-CD1 4.25Å; F140-Y142 HydrophobicContact CD1-CG 4.36Å; F140-Y142 HydrophobicContact CE1-CG 4.27Å; F140-G147 WeakPolarHBondContact CE1-O 3.23Å; F140-G147 WeakPolarHBondContact CZ-O 3.38Å; F140-L151 HydrophobicContact CB-CD1 4.3Å; F140-L151 HydrophobicContact CB-CD2 4.17Å; F140-L151 HydrophobicContact CD1-CB 4.19Å; F140-L151 HydrophobicContact CD1-CD1 4.5Å; F140-L151 HydrophobicContact CD1-CD2 3.88Å; F140-L151 HydrophobicContact CD1-CG 4.42Å; F140-L151 HydrophobicContact CD2-CB 4.44Å; F140-L151 HydrophobicContact CD2-CD1 3.8Å; F140-L151 HydrophobicContact CE1-CB 3.91Å; F140-L151 HydrophobicContact CE1-CD2 4.41Å; F140-L151 HydrophobicContact CE2-CB 4.19Å; F140-L151 HydrophobicContact CE2-CD1 4.22Å; F140-L151 HydrophobicContact CG-CB 4.44Å; F140-L151 HydrophobicContact CG-CD1 3.96Å; F140-L151 HydrophobicContact CG-CD2 3.97Å; F140-L151 HydrophobicContact CG-CG 4.35Å; F140-L151 HydrophobicContact CZ-CB 3.92Å; F140-N168 PolarHBondContact N-O 2.75Å; F140-V169 HydrophobicContact CB-CG1 4.48Å; F140-V169 HydrophobicContact CD1-CG1 4.31Å; F140-I170 PolarHBondContact O-N 3.43Å; F140-I198 HydrophobicContact CD2-CB 3.74Å; F140-I198 HydrophobicContact CD2-CD1 4.37Å; F140-I198 HydrophobicContact CD2-CG2 3.7Å; F140-I198 HydrophobicContact CE2-CB 4.2Å; F140-I198 HydrophobicContact CE2-CG2 3.61Å; F140-H200 HydrophobicContact CE1-CB 4.1Å; F140-H200 HydrophobicContact CE2-CB 4.34Å; F140-H200 HydrophobicContact CZ-CB 3.68Å |
| 141 | L | 95.5 | Very high | 90.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 122.8 | 176.6 | -54.1 | -176.2 | 0 | 0 | 0 | 109 | T139 I170 L172 F182 F183 F186 V197 I198 L199 H200 Y226 | T139-L141 HydrophobicContact CG2-CD2 3.84Å; L141-I170 HydrophobicContact CD2-CB 3.68Å; L141-I170 HydrophobicContact CD2-CD1 3.88Å; L141-I170 HydrophobicContact CD2-CG1 4.15Å; L141-I170 HydrophobicContact CD2-CG2 4.22Å; L141-L172 HydrophobicContact CB-CD1 3.95Å; L141-L172 HydrophobicContact CB-CD2 4.1Å; L141-L172 HydrophobicContact CB-CG 4.07Å; L141-L172 HydrophobicContact CD1-CD2 4.48Å; L141-F182 HydrophobicContact CD1-CE1 4.17Å; L141-F182 HydrophobicContact CD1-CZ 4.47Å; L141-F182 HydrophobicContact CD2-CE1 4.47Å; L141-F182 HydrophobicContact CD2-CZ 3.99Å; L141-F183 HydrophobicContact CD1-CE1 4.11Å; L141-F186 HydrophobicContact CD1-CE1 4.4Å; L141-F186 HydrophobicContact CD2-CZ 4.44Å; L141-V197 HydrophobicContact CD1-CG1 3.54Å; L141-V197 HydrophobicContact CG-CG1 3.7Å; L141-I198 PolarHBondContact N-O 3.41Å; L141-L199 HydrophobicContact CB-CD1 3.92Å; L141-L199 HydrophobicContact CD1-CD1 4.28Å; L141-H200 PolarHBondContact O-N 2.84Å; L141-Y226 HydrophobicContact CD1-CE1 4.21Å |
| 142 | Y | 93.8 | Very high | 90.2 | Very high | 35 Ų | 35 | 44.1 Ų | 44.1 | 14% | 0.137 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 150.4 | -175.1 | 78.6 | -75 | 0 | 0 | 0 | 114.4 | F140 S144 L148 V169 I170 Y171 L172 H200 | F140-Y142 HydrophobicContact CD1-CD1 4.25Å; F140-Y142 HydrophobicContact CD1-CG 4.36Å; F140-Y142 HydrophobicContact CE1-CG 4.27Å; Y142-S144 VanDerWaalsContact CD2-O 3.25Å; Y142-S144 WeakPolarHBondContact CD2-O 3.48Å; Y142-L148 HydrophobicContact CE2-CB 4.27Å; Y142-V169 HydrophobicContact CD1-CG1 3.64Å; Y142-V169 HydrophobicContact CE1-CG1 3.42Å; Y142-V169 VanDerWaalsContact CE1-CG1 3.42Å; Y142-I170 WeakPolarHBondContact CD1-O 3.48Å; Y142-I170 PolarHBondContact N-O 3.4Å; Y142-Y171 AromaticContact CD2-CD2 3.89Å; Y142-Y171 HydrophobicContact CD2-CD2 3.89Å; Y142-Y171 HydrophobicContact CD2-CE2 4.35Å; Y142-Y171 HydrophobicContact CE1-CD2 4.09Å; Y142-Y171 HydrophobicContact CE1-CG 4.38Å; Y142-Y171 AromaticContact CE2-CD2 3.44Å; Y142-Y171 HydrophobicContact CE2-CD2 3.44Å; Y142-Y171 VanDerWaalsContact CE2-CD2 3.44Å; Y142-Y171 AromaticContact CE2-CE2 3.96Å; Y142-Y171 HydrophobicContact CE2-CE2 3.96Å; Y142-Y171 HydrophobicContact CE2-CG 4.3Å; Y142-Y171 HydrophobicContact CG-CD2 4.42Å; Y142-Y171 AromaticContact CZ-CD2 3.56Å; Y142-Y171 AromaticContact CZ-CG 3.98Å; Y142-Y171 WeakPolarHBondContact O-CD2 3.45Å; Y142-L172 WeakPolarHBondContact O-CB 3.03Å; Y142-L172 PolarHBondContact O-N 2.94Å; Y142-H200 VanDerWaalsContact CA-O 3.28Å; Y142-H200 WeakPolarHBondContact CA-O 3.44Å |
| 143 | D | 89.2 | Confident | 90 | Very high | 9 Ų | 9 | 40.7 Ų | 40.7 | 5% | 0.048 | 21% | 0.205 | C | C | . | . | S | Bend | trans | -109.6 | -9.9 | -177.8 | 83 | -29.7 | 0 | 0 | 0 | 115.2 | H200 R202 | D143-H200 PolarHBondContact N-O 3.39Å; D143-R202 WeakPolarHBondContact OD1-CB 3.06Å; D143-R202 PolarHBondContact OD1-N 3.41Å; D143-R202 PolarHBondContact OD2-N 2.8Å |
| 144 | S | 84.4 | Confident | 90.1 | Very high | 8 Ų | 8 | 38.1 Ų | 38.1 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | S | Bend | trans | -154.6 | 158.7 | -168.7 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | Y142 E146 G147 R202 | Y142-S144 VanDerWaalsContact CD2-O 3.25Å; Y142-S144 WeakPolarHBondContact CD2-O 3.48Å; S144-E146 PolarHBondContact O-N 3.48Å; S144-E146 VanDerWaalsContact O-N 3.13Å; S144-G147 PolarHBondContact O-N 3.21Å; S144-R202 WeakPolarHBondContact OG-CB 3.31Å |
| 145 | L | 81.2 | Confident | 90.1 | Very high | 124 Ų | 124 | 35.9 Ų | 35.9 | 65% | 0.649 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -61.2 | -20.9 | 179.4 | -65.5 | 174.2 | 0 | 0 | 0 | 114.1 | S149 | L145-S149 PolarHBondContact O-N 2.98Å |
| 146 | E | 80.8 | Confident | 90.1 | Very high | 21 Ų | 21 | 38.5 Ų | 38.5 | 10% | 0.098 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66.2 | -44.7 | 173 | -177.1 | 175.2 | -163.8 | 0 | 0 | 110.9 | S104 K119 S144 L148 S149 E150 | S104-E146 WeakPolarHBondContact CB-OE1 3.49Å; S104-E146 PolarHBondContact OG-OE1 2.95Å; K119-E146 IonicContact NZ-OE1 3.83Å; S144-E146 PolarHBondContact O-N 3.48Å; S144-E146 VanDerWaalsContact O-N 3.13Å; E146-L148 PolarHBondContact O-N 2.96Å; E146-S149 WeakPolarHBondContact O-CB 3.34Å; E146-S149 PolarHBondContact O-N 3.26Å; E146-S149 VanDerWaalsContact O-N 3.09Å; E146-E150 PolarHBondContact O-N 3.39Å |
| 147 | G | 87 | Confident | 90.2 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.6 | -34.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | F140 S144 L151 | F140-G147 WeakPolarHBondContact CE1-O 3.23Å; F140-G147 WeakPolarHBondContact CZ-O 3.38Å; S144-G147 PolarHBondContact O-N 3.21Å; G147-L151 PolarHBondContact O-N 3.49Å |
| 148 | L | 87.2 | Confident | 90.2 | Very high | 54 Ų | 54 | 31.9 Ų | 31.9 | 28% | 0.283 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -69.1 | -40.4 | 175.2 | -172.3 | 63.9 | 0 | 0 | 0 | 112.3 | Y142 E146 E150 L151 E152 | Y142-L148 HydrophobicContact CE2-CB 4.27Å; E146-L148 PolarHBondContact O-N 2.96Å; L148-E150 VanDerWaalsContact C-N 3.35Å; L148-L151 HydrophobicContact CD1-CD2 4.36Å; L148-L151 WeakPolarHBondContact O-CB 3.3Å; L148-L151 PolarHBondContact O-N 3.37Å; L148-E152 PolarHBondContact O-N 3.44Å |
| 149 | S | 85.8 | Confident | 90 | Very high | 10 Ų | 10 | 35.3 Ų | 35.3 | 7% | 0.07 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -60.7 | -44.3 | 174.4 | -160.2 | 0 | 0 | 0 | 0 | 111.2 | E106 L145 E146 L151 E152 N153 | E106-S149 WeakPolarHBondContact OE2-CB 3.44Å; E106-S149 PolarHBondContact OE2-OG 3.37Å; L145-S149 PolarHBondContact O-N 2.98Å; E146-S149 WeakPolarHBondContact O-CB 3.34Å; E146-S149 PolarHBondContact O-N 3.26Å; E146-S149 VanDerWaalsContact O-N 3.09Å; S149-L151 VanDerWaalsContact C-N 3.29Å; S149-L151 PolarHBondContact O-N 3.35Å; S149-E152 PolarHBondContact O-N 2.71Å; S149-N153 PolarHBondContact O-N 3.36Å; S149-N153 VanDerWaalsContact O-N 3.07Å; S149-N153 PolarHBondContact O-ND2 3.49Å |
| 150 | E | 87.8 | Confident | 89.9 | Confident | 22 Ų | 22 | 38.5 Ų | 38.5 | 10% | 0.103 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.7 | -34.6 | 176.1 | -75.1 | -171.7 | -146.5 | 0 | 0 | 112.3 | E146 L148 L154 H200 | E146-E150 PolarHBondContact O-N 3.39Å; L148-E150 VanDerWaalsContact C-N 3.35Å; E150-L154 VanDerWaalsContact O-CB 3.3Å; E150-L154 WeakPolarHBondContact O-CB 3.42Å; E150-L154 PolarHBondContact O-N 2.96Å; E150-H200 IonicContact OE1-CE1 2.75Å; E150-H200 IonicContact OE1-NE2 2.91Å; E150-H200 PolarHBondContact OE1-NE2 2.92Å; E150-H200 IonicContact OE2-CD2 3.75Å; E150-H200 PolarHBondContact OE2-CD2 3.25Å; E150-H200 IonicContact OE2-NE2 2.63Å; E150-H200 PolarHBondContact OE2-NE2 3.07Å |
| 151 | L | 92.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.8 | -43.5 | 174.5 | 177.1 | 63.2 | 0 | 0 | 0 | 112 | F138 F140 G147 L148 S149 N153 L154 Q155 V169 | F138-L151 HydrophobicContact CE2-CD1 3.81Å; F138-L151 HydrophobicContact CZ-CD1 3.89Å; F140-L151 HydrophobicContact CB-CD1 4.3Å; F140-L151 HydrophobicContact CB-CD2 4.17Å; F140-L151 HydrophobicContact CD1-CB 4.19Å; F140-L151 HydrophobicContact CD1-CD1 4.5Å; F140-L151 HydrophobicContact CD1-CD2 3.88Å; F140-L151 HydrophobicContact CD1-CG 4.42Å; F140-L151 HydrophobicContact CD2-CB 4.44Å; F140-L151 HydrophobicContact CD2-CD1 3.8Å; F140-L151 HydrophobicContact CE1-CB 3.91Å; F140-L151 HydrophobicContact CE1-CD2 4.41Å; F140-L151 HydrophobicContact CE2-CB 4.19Å; F140-L151 HydrophobicContact CE2-CD1 4.22Å; F140-L151 HydrophobicContact CG-CB 4.44Å; F140-L151 HydrophobicContact CG-CD1 3.96Å; F140-L151 HydrophobicContact CG-CD2 3.97Å; F140-L151 HydrophobicContact CG-CG 4.35Å; F140-L151 HydrophobicContact CZ-CB 3.92Å; G147-L151 PolarHBondContact O-N 3.49Å; L148-L151 HydrophobicContact CD1-CD2 4.36Å; L148-L151 WeakPolarHBondContact O-CB 3.3Å; L148-L151 PolarHBondContact O-N 3.37Å; S149-L151 VanDerWaalsContact C-N 3.29Å; S149-L151 PolarHBondContact O-N 3.35Å; L151-N153 VanDerWaalsContact C-N 3.33Å; L151-N153 PolarHBondContact O-N 3.31Å; L151-L154 WeakPolarHBondContact O-CB 3.35Å; L151-L154 PolarHBondContact O-N 2.84Å; L151-Q155 HydrophobicContact CD1-CG 4.3Å; L151-Q155 WeakPolarHBondContact O-CG 3.39Å; L151-Q155 PolarHBondContact O-N 3.31Å; L151-V169 HydrophobicContact CD2-CG1 4.09Å; L151-V169 HydrophobicContact CD2-CG2 3.59Å |
| 152 | E | 90.5 | Very high | 89.5 | Confident | 112 Ų | 112 | 50.8 Ų | 50.8 | 52% | 0.523 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -60.2 | -44.7 | 176.4 | -71.2 | 174.4 | 178.7 | 0 | 0 | 110.9 | L148 S149 L154 Q155 A156 | L148-E152 PolarHBondContact O-N 3.44Å; S149-E152 PolarHBondContact O-N 2.71Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.26Å; E152-Q155 PolarHBondContact O-N 3.25Å; E152-A156 WeakPolarHBondContact O-CB 3.42Å; E152-A156 PolarHBondContact O-N 2.99Å |
| 153 | N | 90 | Very high | 89.2 | Confident | 63 Ų | 63 | 50.2 Ų | 50.2 | 34% | 0.337 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -65.3 | -37.8 | 176.5 | -71.7 | -30 | 0 | 0 | 0 | 112.2 | E106 T123 S149 L151 A156 Y157 | E106-N153 PolarHBondContact OE1-ND2 3.24Å; E106-N153 PolarHBondContact OE2-ND2 3.11Å; T123-N153 HydrophobicContact CG2-CB 3.88Å; S149-N153 PolarHBondContact O-N 3.36Å; S149-N153 VanDerWaalsContact O-N 3.07Å; S149-N153 PolarHBondContact O-ND2 3.49Å; L151-N153 VanDerWaalsContact C-N 3.33Å; L151-N153 PolarHBondContact O-N 3.31Å; N153-A156 PolarHBondContact O-N 2.96Å; N153-Y157 WeakPolarHBondContact O-CB 3.4Å; N153-Y157 PolarHBondContact O-N 3.44Å |
| 154 | L | 92.7 | Very high | 89 | Confident | 5 Ų | 5 | 59 Ų | 59 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64 | -44.8 | 174.8 | 178.7 | 61.1 | 0 | 0 | 0 | 111.5 | T123 I126 I130 F138 E150 L151 E152 A156 Y157 L158 I198 | T123-L154 HydrophobicContact CG2-CB 3.97Å; T123-L154 HydrophobicContact CG2-CD1 4.46Å; T123-L154 VanDerWaalsContact CG2-N 3.34Å; I126-L154 HydrophobicContact CB-CD1 4.27Å; I126-L154 HydrophobicContact CG2-CD1 3.85Å; I126-L154 HydrophobicContact CG2-CD2 3.78Å; I126-L154 HydrophobicContact CG2-CG 4.48Å; I130-L154 HydrophobicContact CD1-CD1 4.21Å; I130-L154 HydrophobicContact CD1-CD2 3.96Å; I130-L154 HydrophobicContact CD1-CG 4.48Å; F138-L154 HydrophobicContact CZ-CD2 4.1Å; E150-L154 VanDerWaalsContact O-CB 3.3Å; E150-L154 WeakPolarHBondContact O-CB 3.42Å; E150-L154 PolarHBondContact O-N 2.96Å; L151-L154 WeakPolarHBondContact O-CB 3.35Å; L151-L154 PolarHBondContact O-N 2.84Å; E152-L154 VanDerWaalsContact C-N 3.34Å; E152-L154 PolarHBondContact O-N 3.26Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-A156 PolarHBondContact O-N 3.43Å; L154-Y157 PolarHBondContact O-N 3.08Å; L154-L158 HydrophobicContact CD1-CD1 4.16Å; L154-L158 HydrophobicContact CD1-CG 4.24Å; L154-L158 HydrophobicContact CG-CD1 4.02Å; L154-L158 WeakPolarHBondContact O-CB 3.39Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 3.03Å; L154-I198 HydrophobicContact CD2-CD1 4.04Å |
| 155 | Q | 91.9 | Very high | 89.2 | Confident | 77 Ų | 77 | 59.8 Ų | 59.8 | 36% | 0.36 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.4 | -40.6 | 176.7 | -74.2 | 177.4 | -17 | 0 | 0 | 111.8 | L151 E152 S159 S167 | L151-Q155 HydrophobicContact CD1-CG 4.3Å; L151-Q155 WeakPolarHBondContact O-CG 3.39Å; L151-Q155 PolarHBondContact O-N 3.31Å; E152-Q155 PolarHBondContact O-N 3.25Å; Q155-S159 VanDerWaalsContact O-CB 3.27Å; Q155-S159 WeakPolarHBondContact O-CB 3.38Å; Q155-S159 PolarHBondContact O-N 3.37Å; Q155-S159 PolarHBondContact O-OG 3.4Å; Q155-S167 PolarHBondContact NE2-OG 2.83Å |
| 156 | A | 91.5 | Very high | 89.7 | Confident | 59 Ų | 59 | 59.8 Ų | 59.8 | 49% | 0.488 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | E152 N153 L154 S159 S160 | E152-A156 WeakPolarHBondContact O-CB 3.42Å; E152-A156 PolarHBondContact O-N 2.99Å; N153-A156 PolarHBondContact O-N 2.96Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-A156 PolarHBondContact O-N 3.43Å; A156-S159 PolarHBondContact O-N 3.33Å; A156-S160 PolarHBondContact O-N 3.37Å |
| 157 | Y | 92.8 | Very high | 90.2 | Very high | 35 Ų | 35 | 60.1 Ų | 60.1 | 14% | 0.137 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -50.8 | 175.6 | -178.2 | -97.2 | 0 | 0 | 0 | 111.8 | D124 D128 L131 N153 L154 S159 S160 K161 | D124-Y157 HydrophobicContact CB-CD2 4.45Å; D124-Y157 HydrophobicContact CB-CE2 4.04Å; D128-Y157 PolarHBondContact OD1-OH 3.45Å; L131-Y157 HydrophobicContact CD1-CE1 4.35Å; N153-Y157 WeakPolarHBondContact O-CB 3.4Å; N153-Y157 PolarHBondContact O-N 3.44Å; L154-Y157 PolarHBondContact O-N 3.08Å; Y157-S159 VanDerWaalsContact C-N 3.31Å; Y157-S159 PolarHBondContact O-N 3.06Å; Y157-S160 WeakPolarHBondContact O-CB 3.43Å; Y157-S160 PolarHBondContact O-N 3.4Å; Y157-S160 VanDerWaalsContact O-N 3.11Å; Y157-S160 PolarHBondContact O-OG 3.25Å; Y157-K161 HydrophobicContact CE1-CG 4.21Å; Y157-K161 WeakPolarHBondContact O-CG 3.41Å; Y157-K161 PolarHBondContact O-N 2.84Å; Y157-K161 VanDerWaalsContact OH-CE 3.25Å; Y157-K161 WeakPolarHBondContact OH-CE 3.4Å |
| 158 | L | 93.4 | Very high | 90.5 | Very high | 4 Ų | 4 | 65.5 Ų | 65.5 | 2% | 0.021 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -60.9 | -40.6 | 178.6 | -69.1 | 170.3 | 0 | 0 | 0 | 112.1 | I130 L131 F138 L154 S160 K161 N162 M163 V165 | I130-L158 HydrophobicContact CB-CD2 4.3Å; I130-L158 HydrophobicContact CD1-CD1 4.25Å; I130-L158 HydrophobicContact CG2-CD1 4.28Å; I130-L158 HydrophobicContact CG2-CD2 3.87Å; L131-L158 HydrophobicContact CG-CD2 4.34Å; F138-L158 HydrophobicContact CE1-CD1 4.42Å; L154-L158 HydrophobicContact CD1-CD1 4.16Å; L154-L158 HydrophobicContact CD1-CG 4.24Å; L154-L158 HydrophobicContact CG-CD1 4.02Å; L154-L158 WeakPolarHBondContact O-CB 3.39Å; L154-L158 VanDerWaalsContact O-CG 3.3Å; L154-L158 WeakPolarHBondContact O-CG 3.41Å; L154-L158 PolarHBondContact O-N 3.03Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 3.04Å; L158-K161 CarbonylContact O-C 3.57Å; L158-K161 PolarHBondContact O-N 3.41Å; L158-K161 VanDerWaalsContact O-N 3.09Å; L158-N162 PolarHBondContact O-N 2.94Å; L158-M163 CarbonylContact C-O 3.36Å; L158-M163 PolarHBondContact O-N 2.78Å; L158-M163 VanDerWaalsContact O-N 3.11Å; L158-V165 HydrophobicContact CD1-CB 4.33Å; L158-V165 HydrophobicContact CD1-CG2 4.04Å |
| 159 | S | 91.3 | Very high | 90.9 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 54% | 0.538 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.5 | -39.8 | 175 | -61 | 0 | 0 | 0 | 0 | 111.8 | Q155 A156 Y157 K161 N162 | Q155-S159 VanDerWaalsContact O-CB 3.27Å; Q155-S159 WeakPolarHBondContact O-CB 3.38Å; Q155-S159 PolarHBondContact O-N 3.37Å; Q155-S159 PolarHBondContact O-OG 3.4Å; A156-S159 PolarHBondContact O-N 3.33Å; Y157-S159 VanDerWaalsContact C-N 3.31Å; Y157-S159 PolarHBondContact O-N 3.06Å; S159-K161 PolarHBondContact O-N 2.92Å; S159-N162 PolarHBondContact O-N 2.66Å |
| 160 | S | 93.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 67.8 Ų | 67.8 | 59% | 0.587 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -63.5 | -24.2 | 175.6 | 83.2 | 0 | 0 | 0 | 0 | 113.2 | A156 Y157 L158 N162 | A156-S160 PolarHBondContact O-N 3.37Å; Y157-S160 WeakPolarHBondContact O-CB 3.43Å; Y157-S160 PolarHBondContact O-N 3.4Å; Y157-S160 VanDerWaalsContact O-N 3.11Å; Y157-S160 PolarHBondContact O-OG 3.25Å; L158-S160 VanDerWaalsContact C-N 3.33Å; L158-S160 PolarHBondContact O-N 3.04Å; S160-N162 VanDerWaalsContact C-N 3.33Å |
| 161 | K | 92.6 | Very high | 91.5 | Very high | 109 Ų | 109 | 70.1 Ų | 70.1 | 47% | 0.474 | 37% | 0.373 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 11.7 | 176 | -60.1 | -68 | -173.9 | 173.5 | 0 | 112.8 | L131 Y157 L158 S159 M163 | L131-K161 HydrophobicContact CD1-CB 4.18Å; L131-K161 HydrophobicContact CD1-CG 4.03Å; L131-K161 HydrophobicContact CD2-CB 4.34Å; Y157-K161 HydrophobicContact CE1-CG 4.21Å; Y157-K161 WeakPolarHBondContact O-CG 3.41Å; Y157-K161 PolarHBondContact O-N 2.84Å; Y157-K161 VanDerWaalsContact OH-CE 3.25Å; Y157-K161 WeakPolarHBondContact OH-CE 3.4Å; L158-K161 CarbonylContact O-C 3.57Å; L158-K161 PolarHBondContact O-N 3.41Å; L158-K161 VanDerWaalsContact O-N 3.09Å; S159-K161 PolarHBondContact O-N 2.92Å; K161-M163 PolarHBondContact O-N 3.43Å |
| 162 | N | 89.5 | Confident | 91.4 | Very high | 154 Ų | 154 | 69.9 Ų | 69.9 | 82% | 0.824 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 23.3 | -178 | -67 | -36.7 | 0 | 0 | 0 | 114.8 | L158 S159 S160 | L158-N162 PolarHBondContact O-N 2.94Å; S159-N162 PolarHBondContact O-N 2.66Å; S160-N162 VanDerWaalsContact C-N 3.33Å |
| 163 | M | 88.1 | Confident | 91.1 | Very high | 24 Ų | 24 | 70.5 Ų | 70.5 | 12% | 0.118 | 37% | 0.369 | C | S | . | . | trans | -103.2 | 118.4 | 174.9 | -173 | 172.2 | 170.2 | 0 | 0 | 109.9 | I130 L131 W135 L158 K161 V165 | I130-M163 HydrophobicContact CG2-CE 4.12Å; L131-M163 HydrophobicContact CD2-CB 4Å; L131-M163 HydrophobicContact CD2-CG 4.37Å; L131-M163 HydrophobicContact CD2-SD 3.41Å; L131-M163 WeakPolarHBondContact CD2-SD 3.09Å; L131-M163 HydrophobicContact CG-SD 4.25Å; W135-M163 WeakPolarHBondContact O-CE 3.24Å; L158-M163 CarbonylContact C-O 3.36Å; L158-M163 PolarHBondContact O-N 2.78Å; L158-M163 VanDerWaalsContact O-N 3.11Å; K161-M163 PolarHBondContact O-N 3.43Å; M163-V165 HydrophobicContact CE-CG2 3.61Å; M163-V165 HydrophobicContact CG-CG2 3.7Å; M163-V165 HydrophobicContact SD-CG2 4.1Å | ||
| 164 | K | 85 | Confident | 90.7 | Very high | 192 Ų | 192 | 75.6 Ų | 75.6 | 84% | 0.835 | 39% | 0.388 | S | S | * | . | trans | -92.1 | 114.2 | 173.4 | -68.4 | -176.2 | 179.2 | -179.4 | 0 | 108.9 | ||||
| 165 | V | 89 | Confident | 90.3 | Very high | 26 Ų | 26 | 78.9 Ų | 78.9 | 16% | 0.158 | 40% | 0.402 | C | S | . | . | trans | -117.3 | 130.6 | -179.4 | -173.6 | 0 | 0 | 0 | 0 | 109.2 | I130 F138 L158 M163 | I130-V165 HydrophobicContact CG2-CG2 4.35Å; F138-V165 HydrophobicContact CD1-CG1 3.53Å; F138-V165 HydrophobicContact CE1-CB 4.35Å; F138-V165 HydrophobicContact CE1-CG1 3.59Å; L158-V165 HydrophobicContact CD1-CB 4.33Å; L158-V165 HydrophobicContact CD1-CG2 4.04Å; M163-V165 HydrophobicContact CE-CG2 3.61Å; M163-V165 HydrophobicContact CG-CG2 3.7Å; M163-V165 HydrophobicContact SD-CG2 4.1Å | ||
| 166 | N | 91.1 | Very high | 89.7 | Confident | 123 Ų | 123 | 79.5 Ų | 79.5 | 66% | 0.658 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | 123.8 | 175.5 | -69.5 | -25.6 | 0 | 0 | 0 | 109.9 | Q136 S137 F138 | Q136-N166 PolarHBondContact O-N 2.83Å; Q136-N166 VanDerWaalsContact O-N 3.13Å; S137-N166 CarbonylContact C-O 3.45Å; S137-N166 WeakPolarHBondContact CA-O 3.41Å; S137-N166 VanDerWaalsContact CB-O 3.32Å; S137-N166 WeakPolarHBondContact CB-O 3.38Å; F138-N166 PolarHBondContact N-O 2.84Å |
| 167 | S | 91.7 | Very high | 88.9 | Confident | 28 Ų | 28 | 82 Ų | 82 | 20% | 0.196 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 122.2 | 179.2 | 62.8 | 0 | 0 | 0 | 0 | 112 | F138 Q155 | F138-S167 VanDerWaalsContact O-CA 3.32Å; F138-S167 WeakPolarHBondContact O-CA 3.35Å; Q155-S167 PolarHBondContact NE2-OG 2.83Å |
| 168 | N | 93.5 | Very high | 88.5 | Confident | 113 Ų | 113 | 83.5 Ų | 83.5 | 60% | 0.604 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 132.5 | 169.8 | -72 | -18.5 | 0 | 0 | 0 | 109.5 | F138 T139 F140 | F138-N168 PolarHBondContact O-N 2.8Å; T139-N168 CarbonylContact C-O 3.49Å; T139-N168 VanDerWaalsContact CA-O 3.31Å; T139-N168 WeakPolarHBondContact CA-O 3.32Å; T139-N168 HydrophobicContact CG2-CB 4.39Å; F140-N168 PolarHBondContact N-O 2.75Å |
| 169 | V | 94.3 | Very high | 88.2 | Confident | 69 Ų | 69 | 83.9 Ų | 83.9 | 42% | 0.418 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128.2 | -173 | -162.6 | 0 | 0 | 0 | 0 | 111 | F140 Y142 L151 | F140-V169 HydrophobicContact CB-CG1 4.48Å; F140-V169 HydrophobicContact CD1-CG1 4.31Å; Y142-V169 HydrophobicContact CD1-CG1 3.64Å; Y142-V169 HydrophobicContact CE1-CG1 3.42Å; Y142-V169 VanDerWaalsContact CE1-CG1 3.42Å; L151-V169 HydrophobicContact CD2-CG1 4.09Å; L151-V169 HydrophobicContact CD2-CG2 3.59Å |
| 170 | I | 93.8 | Very high | 87.8 | Confident | 44 Ų | 44 | 83.3 Ų | 83.3 | 23% | 0.226 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.6 | 179.5 | -56.4 | 179 | 0 | 0 | 0 | 110.2 | T139 F140 L141 Y142 F175 F182 F186 | T139-I170 HydrophobicContact CG2-CD1 3.76Å; T139-I170 HydrophobicContact CG2-CG1 4.09Å; F140-I170 PolarHBondContact O-N 3.43Å; L141-I170 HydrophobicContact CD2-CB 3.68Å; L141-I170 HydrophobicContact CD2-CD1 3.88Å; L141-I170 HydrophobicContact CD2-CG1 4.15Å; L141-I170 HydrophobicContact CD2-CG2 4.22Å; Y142-I170 WeakPolarHBondContact CD1-O 3.48Å; Y142-I170 PolarHBondContact N-O 3.4Å; I170-F175 HydrophobicContact CG2-CE2 3.92Å; I170-F182 HydrophobicContact CG2-CE2 4.01Å; I170-F182 HydrophobicContact CG2-CZ 4.06Å; I170-F186 HydrophobicContact CD1-CD2 3.92Å; I170-F186 HydrophobicContact CD1-CE2 3.72Å |
| 171 | Y | 93.3 | Very high | 87.2 | Confident | 70 Ų | 70 | 87.6 Ų | 87.6 | 28% | 0.275 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 109.6 | 177.3 | -175.1 | -134.2 | 0 | 0 | 0 | 111.7 | Y142 R173 K174 | Y142-Y171 AromaticContact CD2-CD2 3.89Å; Y142-Y171 HydrophobicContact CD2-CD2 3.89Å; Y142-Y171 HydrophobicContact CD2-CE2 4.35Å; Y142-Y171 HydrophobicContact CE1-CD2 4.09Å; Y142-Y171 HydrophobicContact CE1-CG 4.38Å; Y142-Y171 AromaticContact CE2-CD2 3.44Å; Y142-Y171 HydrophobicContact CE2-CD2 3.44Å; Y142-Y171 VanDerWaalsContact CE2-CD2 3.44Å; Y142-Y171 AromaticContact CE2-CE2 3.96Å; Y142-Y171 HydrophobicContact CE2-CE2 3.96Å; Y142-Y171 HydrophobicContact CE2-CG 4.3Å; Y142-Y171 HydrophobicContact CG-CD2 4.42Å; Y142-Y171 AromaticContact CZ-CD2 3.56Å; Y142-Y171 AromaticContact CZ-CG 3.98Å; Y142-Y171 WeakPolarHBondContact O-CD2 3.45Å; Y171-R173 VanDerWaalsContact C-N 3.35Å; Y171-R173 HydrophobicContact CD1-CB 4.22Å; Y171-R173 HydrophobicContact CD2-CB 4.5Å; Y171-R173 HydrophobicContact CE1-CB 3.6Å; Y171-R173 HydrophobicContact CE2-CB 3.9Å; Y171-R173 VanDerWaalsContact CZ-CB 3.42Å; Y171-R173 PolarHBondContact O-N 3.2Å; Y171-R173 VanDerWaalsContact OH-CD 3.3Å; Y171-R173 WeakPolarHBondContact OH-CD 3.38Å; Y171-R173 PolarHBondContact OH-NE 3.39Å; Y171-R173 VanDerWaalsContact OH-NE 3.12Å; Y171-K174 HydrophobicContact CD1-CG 4.2Å |
| 172 | L | 89.9 | Confident | 87 | Confident | 0 Ų | 0 | 82.8 Ų | 82.8 | 0% | 0 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -68.8 | -26.4 | -171.7 | -70.2 | 175.2 | 0 | 0 | 0 | 114.2 | L141 Y142 K174 F175 F182 L199 V201 M210 | L141-L172 HydrophobicContact CB-CD1 3.95Å; L141-L172 HydrophobicContact CB-CD2 4.1Å; L141-L172 HydrophobicContact CB-CG 4.07Å; L141-L172 HydrophobicContact CD1-CD2 4.48Å; Y142-L172 WeakPolarHBondContact O-CB 3.03Å; Y142-L172 PolarHBondContact O-N 2.94Å; L172-K174 PolarHBondContact O-N 3.23Å; L172-F175 PolarHBondContact O-N 3.42Å; L172-F182 HydrophobicContact CD2-CD1 3.93Å; L172-F182 HydrophobicContact CD2-CE1 3.38Å; L172-F182 HydrophobicContact CD2-CZ 3.78Å; L172-L199 HydrophobicContact CD1-CD1 3.7Å; L172-V201 HydrophobicContact CD1-CG2 4.36Å; L172-M210 HydrophobicContact CB-CE 4.42Å; L172-M210 HydrophobicContact CD1-CE 4.11Å; L172-M210 HydrophobicContact CD1-SD 4.02Å |
| 173 | R | 83.7 | Confident | 86.9 | Confident | 124 Ų | 124 | 75.5 Ų | 75.5 | 47% | 0.468 | 36% | 0.359 | S | S | . | . | G | 310 helix | trans | -59.3 | -23.2 | -178.3 | -167 | -178 | -72.3 | -163.1 | -4 | 112.6 | Y171 F175 E176 | Y171-R173 VanDerWaalsContact C-N 3.35Å; Y171-R173 HydrophobicContact CD1-CB 4.22Å; Y171-R173 HydrophobicContact CD2-CB 4.5Å; Y171-R173 HydrophobicContact CE1-CB 3.6Å; Y171-R173 HydrophobicContact CE2-CB 3.9Å; Y171-R173 VanDerWaalsContact CZ-CB 3.42Å; Y171-R173 PolarHBondContact O-N 3.2Å; Y171-R173 VanDerWaalsContact OH-CD 3.3Å; Y171-R173 WeakPolarHBondContact OH-CD 3.38Å; Y171-R173 PolarHBondContact OH-NE 3.39Å; Y171-R173 VanDerWaalsContact OH-NE 3.12Å; R173-F175 PolarHBondContact O-N 3.49Å; R173-E176 PolarHBondContact O-N 2.57Å |
| 174 | K | 82.4 | Confident | 86.6 | Confident | 170 Ų | 170 | 77 Ų | 77 | 74% | 0.739 | 37% | 0.368 | S | S | * | . | G | 310 helix | trans | -63.4 | -18.7 | 175 | -68 | -174.6 | 177 | -177.3 | 0 | 114 | Y171 L172 | Y171-K174 HydrophobicContact CD1-CG 4.2Å; L172-K174 PolarHBondContact O-N 3.23Å |
| 175 | F | 84.7 | Confident | 86.5 | Confident | 75 Ų | 75 | 71.2 Ų | 71.2 | 33% | 0.329 | 35% | 0.351 | S | S | . | . | G | 310 helix | trans | -110.9 | 4.9 | -174.5 | -52.3 | -79.3 | 0 | 0 | 0 | 113.1 | I170 L172 R173 D178 F182 | I170-F175 HydrophobicContact CG2-CE2 3.92Å; L172-F175 PolarHBondContact O-N 3.42Å; R173-F175 PolarHBondContact O-N 3.49Å; F175-D178 CarbonylContact O-C 3.46Å; F175-D178 PolarHBondContact O-N 3.34Å; F175-F182 HydrophobicContact CB-CB 3.82Å; F175-F182 HydrophobicContact CB-CD2 4.4Å; F175-F182 HydrophobicContact CB-CG 4.17Å; F175-F182 HydrophobicContact CD1-CB 4.03Å; F175-F182 AromaticContact CD1-CD2 3.67Å; F175-F182 HydrophobicContact CD1-CD2 3.67Å; F175-F182 HydrophobicContact CD1-CG 4.19Å; F175-F182 HydrophobicContact CD2-CB 4.47Å; F175-F182 AromaticContact CD2-CD2 3.48Å; F175-F182 HydrophobicContact CD2-CD2 3.48Å; F175-F182 VanDerWaalsContact CD2-CD2 3.48Å; F175-F182 AromaticContact CD2-CE2 3.86Å; F175-F182 HydrophobicContact CD2-CE2 3.86Å; F175-F182 AromaticContact CD2-CG 3.96Å; F175-F182 HydrophobicContact CD2-CG 3.96Å; F175-F182 AromaticContact CE1-CD2 3.68Å; F175-F182 HydrophobicContact CE1-CD2 3.68Å; F175-F182 HydrophobicContact CE1-CE2 4.31Å; F175-F182 AromaticContact CE2-CD2 3.49Å; F175-F182 HydrophobicContact CE2-CD2 3.49Å; F175-F182 VanDerWaalsContact CE2-CD2 3.49Å; F175-F182 AromaticContact CE2-CE2 3.51Å; F175-F182 HydrophobicContact CE2-CE2 3.51Å; F175-F182 HydrophobicContact CE2-CG 4.4Å; F175-F182 HydrophobicContact CE2-CZ 4.44Å; F175-F182 HydrophobicContact CG-CB 3.85Å; F175-F182 AromaticContact CG-CD2 3.57Å; F175-F182 HydrophobicContact CG-CD2 3.57Å; F175-F182 HydrophobicContact CG-CE2 4.4Å; F175-F182 AromaticContact CG-CG 3.84Å; F175-F182 HydrophobicContact CG-CG 3.84Å; F175-F182 AromaticContact CZ-CD2 3.59Å; F175-F182 HydrophobicContact CZ-CD2 3.59Å; F175-F182 AromaticContact CZ-CE2 3.76Å; F175-F182 HydrophobicContact CZ-CE2 3.76Å |
| 176 | E | 78 | Confident | 86.5 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 42% | 0.421 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67 | 136.5 | 176.7 | -170.3 | 165.9 | -175.1 | 0 | 0 | 110.5 | R173 Y179 K206 | R173-E176 PolarHBondContact O-N 2.57Å; E176-Y179 HydrophobicContact CB-CE1 4.36Å; E176-Y179 WeakPolarHBondContact CB-OH 3.36Å; E176-Y179 WeakPolarHBondContact CG-OH 3.37Å; E176-K206 IonicContact OE1-NZ 2.63Å; E176-K206 PolarHBondContact OE1-NZ 2.89Å; E176-K206 IonicContact OE2-NZ 3.55Å; E176-K206 PolarHBondContact OE2-NZ 3.46Å |
| 177 | P | 75.9 | Confident | 86.2 | Confident | 110 Ų | 110 | 65.6 Ų | 65.6 | 71% | 0.714 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -93.6 | 0.6 | -0.3 | 37.5 | -35.1 | 0 | 0 | 0 | 115 | Y179 | P177-Y179 VanDerWaalsContact C-N 3.35Å; P177-Y179 PolarHBondContact O-N 2.85Å; P177-Y179 VanDerWaalsContact O-N 3.1Å |
| 178 | D | 84.5 | Confident | 85.8 | Confident | 68 Ų | 68 | 68.4 Ų | 68.4 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | trans | -89.3 | 64.1 | -170.9 | -163.5 | -9.1 | 0 | 0 | 0 | 112.6 | F175 F180 R181 F182 | F175-D178 CarbonylContact O-C 3.46Å; F175-D178 PolarHBondContact O-N 3.34Å; D178-F180 VanDerWaalsContact C-N 3.26Å; D178-F180 PolarHBondContact O-N 3.44Å; D178-R181 WeakPolarHBondContact OD1-CB 3.38Å; D178-R181 WeakPolarHBondContact OD1-CG 3.43Å; D178-R181 PolarHBondContact OD1-N 3.08Å; D178-R181 VanDerWaalsContact OD1-N 3.1Å; D178-R181 WeakPolarHBondContact OD2-CD 3.41Å; D178-R181 VanDerWaalsContact OD2-CG 3.22Å; D178-R181 WeakPolarHBondContact OD2-CG 3.41Å; D178-R181 IonicContact OD2-NE 3.14Å; D178-R181 PolarHBondContact OD2-NE 2.96Å; D178-F182 PolarHBondContact O-N 2.74Å | ||
| 179 | Y | 85.9 | Confident | 85.3 | Confident | 11 Ų | 11 | 67.3 Ų | 67.3 | 4% | 0.043 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.6 | -29.6 | 178 | -59.6 | -61 | 0 | 0 | 0 | 112.4 | E176 P177 F182 F183 M210 | E176-Y179 HydrophobicContact CB-CE1 4.36Å; E176-Y179 WeakPolarHBondContact CB-OH 3.36Å; E176-Y179 WeakPolarHBondContact CG-OH 3.37Å; P177-Y179 VanDerWaalsContact C-N 3.35Å; P177-Y179 PolarHBondContact O-N 2.85Å; P177-Y179 VanDerWaalsContact O-N 3.1Å; Y179-F182 WeakPolarHBondContact O-CB 3.4Å; Y179-F182 PolarHBondContact O-N 3.29Å; Y179-F183 WeakPolarHBondContact O-CD2 3.27Å; Y179-F183 PolarHBondContact O-N 2.87Å; Y179-M210 HydrophobicContact CD1-CE 3.92Å; Y179-M210 HydrophobicContact CD1-CG 4.28Å; Y179-M210 HydrophobicContact CD2-CE 4.21Å; Y179-M210 HydrophobicContact CD2-CG 3.68Å; Y179-M210 HydrophobicContact CE1-CE 3.39Å; Y179-M210 HydrophobicContact CE2-CE 3.68Å; Y179-M210 HydrophobicContact CE2-CG 4Å; Y179-M210 HydrophobicContact CG-CE 4.31Å; Y179-M210 HydrophobicContact CG-CG 3.82Å; Y179-M210 WeakPolarHBondContact OH-CE 3.46Å |
| 180 | F | 83.1 | Confident | 84.9 | Confident | 65 Ų | 65 | 65.7 Ų | 65.7 | 29% | 0.285 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -57.9 | -52 | 175.8 | 176.3 | -109.1 | 0 | 0 | 0 | 112.1 | D178 F182 F183 L184 D213 D216 A217 | D178-F180 VanDerWaalsContact C-N 3.26Å; D178-F180 PolarHBondContact O-N 3.44Å; F180-F182 VanDerWaalsContact C-N 3.29Å; F180-F182 PolarHBondContact O-N 2.95Å; F180-F183 PolarHBondContact O-N 2.85Å; F180-L184 HydrophobicContact CD1-CD1 3.99Å; F180-L184 HydrophobicContact CE1-CD1 3.42Å; F180-L184 VanDerWaalsContact CE1-CD1 3.42Å; F180-L184 HydrophobicContact CE1-CG 4.36Å; F180-L184 HydrophobicContact CE2-CD1 4.1Å; F180-L184 HydrophobicContact CE2-CG 4.24Å; F180-L184 HydrophobicContact CZ-CD1 3.49Å; F180-L184 VanDerWaalsContact CZ-CD1 3.49Å; F180-L184 HydrophobicContact CZ-CD2 4.49Å; F180-L184 HydrophobicContact CZ-CG 4.12Å; F180-L184 PolarHBondContact O-N 2.86Å; F180-D213 HydrophobicContact CB-CB 4.07Å; F180-D216 HydrophobicContact CD2-CB 3.81Å; F180-D216 HydrophobicContact CE2-CB 3.7Å; F180-A217 HydrophobicContact CD2-CB 4.24Å; F180-A217 HydrophobicContact CE2-CB 4.31Å |
| 181 | R | 81.3 | Confident | 84.2 | Confident | 174 Ų | 174 | 66.6 Ų | 66.6 | 66% | 0.657 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -63 | -37.5 | 175.9 | -75.1 | -166.7 | -167.7 | -165.8 | -2.8 | 112.5 | D178 L184 S185 | D178-R181 WeakPolarHBondContact OD1-CB 3.38Å; D178-R181 WeakPolarHBondContact OD1-CG 3.43Å; D178-R181 PolarHBondContact OD1-N 3.08Å; D178-R181 VanDerWaalsContact OD1-N 3.1Å; D178-R181 WeakPolarHBondContact OD2-CD 3.41Å; D178-R181 VanDerWaalsContact OD2-CG 3.22Å; D178-R181 WeakPolarHBondContact OD2-CG 3.41Å; D178-R181 IonicContact OD2-NE 3.14Å; D178-R181 PolarHBondContact OD2-NE 2.96Å; R181-L184 PolarHBondContact O-N 2.99Å; R181-S185 WeakPolarHBondContact O-CB 3.46Å; R181-S185 PolarHBondContact O-N 3.38Å; R181-S185 PolarHBondContact O-OG 2.65Å; R181-S185 VanDerWaalsContact O-OG 3.14Å |
| 182 | F | 88.4 | Confident | 83.4 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 4% | 0.039 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -57.5 | -54.5 | 174.2 | 165.1 | -101.6 | 0 | 0 | 0 | 110.7 | L141 I170 L172 F175 D178 Y179 F180 L184 S185 F186 | L141-F182 HydrophobicContact CD1-CE1 4.17Å; L141-F182 HydrophobicContact CD1-CZ 4.47Å; L141-F182 HydrophobicContact CD2-CE1 4.47Å; L141-F182 HydrophobicContact CD2-CZ 3.99Å; I170-F182 HydrophobicContact CG2-CE2 4.01Å; I170-F182 HydrophobicContact CG2-CZ 4.06Å; L172-F182 HydrophobicContact CD2-CD1 3.93Å; L172-F182 HydrophobicContact CD2-CE1 3.38Å; L172-F182 HydrophobicContact CD2-CZ 3.78Å; F175-F182 HydrophobicContact CB-CB 3.82Å; F175-F182 HydrophobicContact CB-CD2 4.4Å; F175-F182 HydrophobicContact CB-CG 4.17Å; F175-F182 HydrophobicContact CD1-CB 4.03Å; F175-F182 AromaticContact CD1-CD2 3.67Å; F175-F182 HydrophobicContact CD1-CD2 3.67Å; F175-F182 HydrophobicContact CD1-CG 4.19Å; F175-F182 HydrophobicContact CD2-CB 4.47Å; F175-F182 AromaticContact CD2-CD2 3.48Å; F175-F182 HydrophobicContact CD2-CD2 3.48Å; F175-F182 VanDerWaalsContact CD2-CD2 3.48Å; F175-F182 AromaticContact CD2-CE2 3.86Å; F175-F182 HydrophobicContact CD2-CE2 3.86Å; F175-F182 AromaticContact CD2-CG 3.96Å; F175-F182 HydrophobicContact CD2-CG 3.96Å; F175-F182 AromaticContact CE1-CD2 3.68Å; F175-F182 HydrophobicContact CE1-CD2 3.68Å; F175-F182 HydrophobicContact CE1-CE2 4.31Å; F175-F182 AromaticContact CE2-CD2 3.49Å; F175-F182 HydrophobicContact CE2-CD2 3.49Å; F175-F182 VanDerWaalsContact CE2-CD2 3.49Å; F175-F182 AromaticContact CE2-CE2 3.51Å; F175-F182 HydrophobicContact CE2-CE2 3.51Å; F175-F182 HydrophobicContact CE2-CG 4.4Å; F175-F182 HydrophobicContact CE2-CZ 4.44Å; F175-F182 HydrophobicContact CG-CB 3.85Å; F175-F182 AromaticContact CG-CD2 3.57Å; F175-F182 HydrophobicContact CG-CD2 3.57Å; F175-F182 HydrophobicContact CG-CE2 4.4Å; F175-F182 AromaticContact CG-CG 3.84Å; F175-F182 HydrophobicContact CG-CG 3.84Å; F175-F182 AromaticContact CZ-CD2 3.59Å; F175-F182 HydrophobicContact CZ-CD2 3.59Å; F175-F182 AromaticContact CZ-CE2 3.76Å; F175-F182 HydrophobicContact CZ-CE2 3.76Å; D178-F182 PolarHBondContact O-N 2.74Å; Y179-F182 WeakPolarHBondContact O-CB 3.4Å; Y179-F182 PolarHBondContact O-N 3.29Å; F180-F182 VanDerWaalsContact C-N 3.29Å; F180-F182 PolarHBondContact O-N 2.95Å; F182-L184 PolarHBondContact O-N 2.82Å; F182-S185 PolarHBondContact O-N 3.14Å; F182-S185 PolarHBondContact O-OG 3.38Å; F182-F186 HydrophobicContact CE1-CB 4.39Å; F182-F186 HydrophobicContact CE2-CB 4.1Å; F182-F186 HydrophobicContact CZ-CB 4.03Å; F182-F186 HydrophobicContact CZ-CD2 4.39Å; F182-F186 HydrophobicContact CZ-CG 4.09Å; F182-F186 WeakPolarHBondContact O-CB 3.39Å; F182-F186 PolarHBondContact O-N 2.9Å |
| 183 | F | 88.2 | Confident | 82.9 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -58 | -47.2 | -179.8 | -71.8 | -55.5 | 0 | 0 | 0 | 111.3 | L141 Y179 F180 S185 F186 H187 M210 D213 L214 A217 | L141-F183 HydrophobicContact CD1-CE1 4.11Å; Y179-F183 WeakPolarHBondContact O-CD2 3.27Å; Y179-F183 PolarHBondContact O-N 2.87Å; F180-F183 PolarHBondContact O-N 2.85Å; F183-S185 PolarHBondContact O-N 2.95Å; F183-F186 PolarHBondContact O-N 3.38Å; F183-H187 WeakPolarHBondContact O-CB 3.48Å; F183-H187 PolarHBondContact O-N 3.1Å; F183-H187 PolarHBondContact O-ND1 3.12Å; F183-H187 VanDerWaalsContact O-ND1 3.12Å; F183-M210 HydrophobicContact CE2-CB 4.35Å; F183-M210 WeakPolarHBondContact CE2-O 3.03Å; F183-M210 HydrophobicContact CZ-CB 4.48Å; F183-D213 HydrophobicContact CD2-CB 4.39Å; F183-L214 HydrophobicContact CD1-CD1 3.78Å; F183-L214 HydrophobicContact CD2-CB 4.06Å; F183-L214 HydrophobicContact CD2-CD1 4.42Å; F183-L214 HydrophobicContact CE1-CD1 3.98Å; F183-L214 HydrophobicContact CE2-CB 3.85Å; F183-L214 HydrophobicContact CG-CD1 4.03Å; F183-L214 HydrophobicContact CZ-CB 4.13Å; F183-L214 HydrophobicContact CZ-CD1 4.39Å; F183-A217 HydrophobicContact CB-CB 3.43Å; F183-A217 VanDerWaalsContact CB-CB 3.43Å; F183-A217 HydrophobicContact CG-CB 4.47Å |
| 184 | L | 80.6 | Confident | 82.9 | Confident | 56 Ų | 56 | 74.3 Ų | 74.3 | 29% | 0.293 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -54.6 | -49.2 | 175.3 | -75 | 176.8 | 0 | 0 | 0 | 113.1 | F180 R181 F182 A188 A217 | F180-L184 HydrophobicContact CD1-CD1 3.99Å; F180-L184 HydrophobicContact CE1-CD1 3.42Å; F180-L184 VanDerWaalsContact CE1-CD1 3.42Å; F180-L184 HydrophobicContact CE1-CG 4.36Å; F180-L184 HydrophobicContact CE2-CD1 4.1Å; F180-L184 HydrophobicContact CE2-CG 4.24Å; F180-L184 HydrophobicContact CZ-CD1 3.49Å; F180-L184 VanDerWaalsContact CZ-CD1 3.49Å; F180-L184 HydrophobicContact CZ-CD2 4.49Å; F180-L184 HydrophobicContact CZ-CG 4.12Å; F180-L184 PolarHBondContact O-N 2.86Å; R181-L184 PolarHBondContact O-N 2.99Å; F182-L184 PolarHBondContact O-N 2.82Å; L184-A188 WeakPolarHBondContact O-CB 3.39Å; L184-A188 PolarHBondContact O-N 3.32Å; L184-A217 HydrophobicContact CD2-CB 4.17Å; L184-A217 HydrophobicContact CG-CB 4.2Å |
| 185 | S | 82.4 | Confident | 83.3 | Confident | 70 Ų | 70 | 67.3 Ų | 67.3 | 49% | 0.49 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -68.7 | -39.1 | -179.6 | 67.7 | 0 | 0 | 0 | 0 | 112.7 | R181 F182 F183 A188 S189 | R181-S185 WeakPolarHBondContact O-CB 3.46Å; R181-S185 PolarHBondContact O-N 3.38Å; R181-S185 PolarHBondContact O-OG 2.65Å; R181-S185 VanDerWaalsContact O-OG 3.14Å; F182-S185 PolarHBondContact O-N 3.14Å; F182-S185 PolarHBondContact O-OG 3.38Å; F183-S185 PolarHBondContact O-N 2.95Å; S185-A188 PolarHBondContact O-N 2.73Å; S185-S189 PolarHBondContact O-N 3.14Å; S185-S189 VanDerWaalsContact O-N 3.1Å |
| 186 | F | 89.1 | Confident | 83.8 | Confident | 13 Ų | 13 | 64.8 Ų | 64.8 | 6% | 0.057 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -63.4 | -50.2 | 177.6 | 171.6 | -113.1 | 0 | 0 | 0 | 109.9 | T139 L141 I170 F182 F183 A188 S189 L190 V197 | T139-F186 HydrophobicContact CG2-CE2 3.88Å; T139-F186 HydrophobicContact CG2-CZ 3.82Å; L141-F186 HydrophobicContact CD1-CE1 4.4Å; L141-F186 HydrophobicContact CD2-CZ 4.44Å; I170-F186 HydrophobicContact CD1-CD2 3.92Å; I170-F186 HydrophobicContact CD1-CE2 3.72Å; F182-F186 HydrophobicContact CE1-CB 4.39Å; F182-F186 HydrophobicContact CE2-CB 4.1Å; F182-F186 HydrophobicContact CZ-CB 4.03Å; F182-F186 HydrophobicContact CZ-CD2 4.39Å; F182-F186 HydrophobicContact CZ-CG 4.09Å; F182-F186 WeakPolarHBondContact O-CB 3.39Å; F182-F186 PolarHBondContact O-N 2.9Å; F183-F186 PolarHBondContact O-N 3.38Å; F186-A188 PolarHBondContact O-N 3.41Å; F186-S189 WeakPolarHBondContact O-CA 3.15Å; F186-S189 WeakPolarHBondContact O-CB 3.36Å; F186-S189 PolarHBondContact O-N 3.42Å; F186-S189 PolarHBondContact O-OG 2.81Å; F186-L190 HydrophobicContact CE1-CD1 4.18Å; F186-L190 HydrophobicContact CE1-CD2 4.24Å; F186-L190 HydrophobicContact CE1-CG 4.5Å; F186-L190 HydrophobicContact CE2-CD2 3.96Å; F186-L190 HydrophobicContact CZ-CD2 3.76Å; F186-L190 HydrophobicContact CZ-CG 4.47Å; F186-L190 WeakPolarHBondContact O-CG 3.35Å; F186-L190 PolarHBondContact O-N 3.45Å; F186-V197 HydrophobicContact CE1-CG1 4.33Å; F186-V197 HydrophobicContact CE1-CG2 3.93Å; F186-V197 HydrophobicContact CZ-CG2 4.02Å |
| 187 | H | 86.5 | Confident | 84.6 | Confident | 18 Ų | 18 | 60.6 Ų | 60.6 | 8% | 0.083 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.3 | -42.3 | 176.2 | -68.8 | 165.1 | 0 | 0 | 0 | 113.3 | F183 S189 L190 T221 Y226 | F183-H187 WeakPolarHBondContact O-CB 3.48Å; F183-H187 PolarHBondContact O-N 3.1Å; F183-H187 PolarHBondContact O-ND1 3.12Å; F183-H187 VanDerWaalsContact O-ND1 3.12Å; H187-S189 PolarHBondContact O-N 2.51Å; H187-L190 WeakPolarHBondContact O-CB 3.49Å; H187-L190 PolarHBondContact O-N 3.11Å; H187-L190 VanDerWaalsContact O-N 3.16Å; H187-T221 HydrophobicContact CB-CG2 3.22Å; H187-T221 VanDerWaalsContact CD2-CG2 3.46Å; H187-T221 WeakPolarHBondContact CD2-CG2 3.37Å; H187-T221 WeakPolarHBondContact ND1-CG2 3.29Å; H187-Y226 AromaticContact NE2-CE2 3.7Å; H187-Y226 AromaticContact NE2-CZ 3.63Å; H187-Y226 PolarHBondContact NE2-OH 2.82Å |
| 188 | A | 82 | Confident | 85.6 | Confident | 88 Ų | 88 | 55.4 Ų | 55.4 | 73% | 0.727 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -64.3 | -24.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L184 S185 F186 | L184-A188 WeakPolarHBondContact O-CB 3.39Å; L184-A188 PolarHBondContact O-N 3.32Å; S185-A188 PolarHBondContact O-N 2.73Å; F186-A188 PolarHBondContact O-N 3.41Å |
| 189 | S | 83.9 | Confident | 86.1 | Confident | 89 Ų | 89 | 52.1 Ų | 52.1 | 62% | 0.622 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.6 | 176.4 | 78.3 | 0 | 0 | 0 | 0 | 114.2 | S185 F186 H187 | S185-S189 PolarHBondContact O-N 3.14Å; S185-S189 VanDerWaalsContact O-N 3.1Å; F186-S189 WeakPolarHBondContact O-CA 3.15Å; F186-S189 WeakPolarHBondContact O-CB 3.36Å; F186-S189 PolarHBondContact O-N 3.42Å; F186-S189 PolarHBondContact O-OG 2.81Å; H187-S189 PolarHBondContact O-N 2.51Å |
| 190 | L | 84.9 | Confident | 86.5 | Confident | 36 Ų | 36 | 51.7 Ų | 51.7 | 19% | 0.188 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -73 | 152.5 | -179.7 | -67.2 | -179.7 | 0 | 0 | 0 | 111.8 | F186 H187 N195 V224 | F186-L190 HydrophobicContact CE1-CD1 4.18Å; F186-L190 HydrophobicContact CE1-CD2 4.24Å; F186-L190 HydrophobicContact CE1-CG 4.5Å; F186-L190 HydrophobicContact CE2-CD2 3.96Å; F186-L190 HydrophobicContact CZ-CD2 3.76Å; F186-L190 HydrophobicContact CZ-CG 4.47Å; F186-L190 WeakPolarHBondContact O-CG 3.35Å; F186-L190 PolarHBondContact O-N 3.45Å; H187-L190 WeakPolarHBondContact O-CB 3.49Å; H187-L190 PolarHBondContact O-N 3.11Å; H187-L190 VanDerWaalsContact O-N 3.16Å; L190-N195 HydrophobicContact CD1-CB 4.07Å; L190-N195 HydrophobicContact CD2-CB 4.21Å; L190-V224 HydrophobicContact CD1-CG1 4.24Å; L190-V224 HydrophobicContact CD1-CG2 3.58Å |
| 191 | S | 80.3 | Confident | 86.8 | Confident | 63 Ų | 63 | 48.7 Ų | 48.7 | 44% | 0.441 | 28% | 0.282 | S | S | . | . | trans | -73.8 | 163 | 177.9 | 75.2 | 0 | 0 | 0 | 0 | 111.6 | N193 N195 | S191-N193 PolarHBondContact O-N 3.18Å; S191-N193 PolarHBondContact OG-N 2.7Å; S191-N195 PolarHBondContact N-OD1 2.94Å; S191-N195 PolarHBondContact O-ND2 3.38Å; S191-N195 PolarHBondContact OG-OD1 3.45Å; S191-N195 VanDerWaalsContact OG-OD1 3.07Å | ||
| 192 | A | 75.7 | Confident | 86.9 | Confident | 91 Ų | 91 | 44.5 Ų | 44.5 | 75% | 0.752 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -68.1 | -15.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | N223 | A192-N223 PolarHBondContact O-ND2 2.8Å; A192-N223 VanDerWaalsContact O-ND2 3.16Å |
| 193 | N | 80 | Confident | 86.6 | Confident | 121 Ų | 121 | 45.5 Ų | 45.5 | 65% | 0.647 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -74.6 | 174.8 | 177.7 | -65.7 | -10.9 | 0 | 0 | 0 | 111.2 | S191 N195 | S191-N193 PolarHBondContact O-N 3.18Å; S191-N193 PolarHBondContact OG-N 2.7Å; N193-N195 PolarHBondContact O-N 2.96Å; N193-N195 PolarHBondContact O-ND2 3.43Å |
| 194 | E | 82.2 | Confident | 86.1 | Confident | 144 Ų | 144 | 49.8 Ų | 49.8 | 67% | 0.673 | 29% | 0.29 | S | S | * | . | trans | -62.8 | 123.3 | 169.9 | -70.7 | -177.4 | 173.8 | 0 | 0 | 110.6 | N223 | E194-N223 WeakPolarHBondContact CA-O 3.49Å; E194-N223 HydrophobicContact CG-CB 4.45Å | ||
| 195 | N | 91.5 | Very high | 86.1 | Confident | 22 Ų | 22 | 50.9 Ų | 50.9 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 127.9 | 177.9 | -56 | -87.1 | 0 | 0 | 0 | 108.9 | L190 S191 N193 N223 V224 H225 | L190-N195 HydrophobicContact CD1-CB 4.07Å; L190-N195 HydrophobicContact CD2-CB 4.21Å; S191-N195 PolarHBondContact N-OD1 2.94Å; S191-N195 PolarHBondContact O-ND2 3.38Å; S191-N195 PolarHBondContact OG-OD1 3.45Å; S191-N195 VanDerWaalsContact OG-OD1 3.07Å; N193-N195 PolarHBondContact O-N 2.96Å; N193-N195 PolarHBondContact O-ND2 3.43Å; N195-N223 PolarHBondContact N-O 2.71Å; N195-V224 HydrophobicContact CB-CG1 4.5Å; N195-V224 HydrophobicContact CB-CG2 4.49Å; N195-V224 CarbonylContact O-C 3.44Å; N195-V224 VanDerWaalsContact O-CA 3.3Å; N195-V224 WeakPolarHBondContact O-CA 3.35Å; N195-V224 WeakPolarHBondContact O-CG1 3.37Å; N195-H225 PolarHBondContact O-N 3.19Å |
| 196 | H | 94.8 | Very high | 86.2 | Confident | 23 Ų | 23 | 50.4 Ų | 50.4 | 11% | 0.106 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 134.7 | 177.6 | -44.9 | 110 | 0 | 0 | 0 | 110.1 | W135 S137 F138 T139 | W135-H196 AromaticContact CD1-CD2 3.45Å; W135-H196 VanDerWaalsContact CD1-CD2 3.45Å; W135-H196 AromaticContact CD1-CE1 3.71Å; W135-H196 AromaticContact CD1-CG 3.76Å; W135-H196 AromaticContact CD1-ND1 3.91Å; W135-H196 AromaticContact CD1-NE2 3.42Å; W135-H196 HydrophobicContact CD2-CB 3.56Å; W135-H196 AromaticContact CD2-CD2 3.73Å; W135-H196 AromaticContact CD2-CG 3.48Å; W135-H196 VanDerWaalsContact CD2-CG 3.48Å; W135-H196 AromaticContact CE2-CD2 3.35Å; W135-H196 AromaticContact CE2-CG 3.6Å; W135-H196 HydrophobicContact CE3-CB 3.5Å; W135-H196 AromaticContact CE3-CG 3.98Å; W135-H196 HydrophobicContact CG-CB 4.14Å; W135-H196 AromaticContact CG-CD2 3.78Å; W135-H196 AromaticContact CG-CE1 3.94Å; W135-H196 AromaticContact CG-CG 3.6Å; W135-H196 AromaticContact CG-ND1 3.7Å; W135-H196 AromaticContact CG-NE2 3.99Å; W135-H196 HydrophobicContact CH2-CB 3.91Å; W135-H196 HydrophobicContact CZ2-CB 3.98Å; W135-H196 AromaticContact CZ2-CD2 3.87Å; W135-H196 HydrophobicContact CZ3-CB 3.69Å; W135-H196 AromaticContact NE1-CD2 3.18Å; W135-H196 PolarHBondContact NE1-CD2 3.47Å; W135-H196 AromaticContact NE1-CG 3.77Å; W135-H196 AromaticContact NE1-NE2 3.52Å; S137-H196 PolarHBondContact O-ND1 3.25Å; F138-H196 CarbonylContact C-O 3.52Å; F138-H196 VanDerWaalsContact CA-O 3.24Å; F138-H196 WeakPolarHBondContact CA-O 3.02Å; F138-H196 HydrophobicContact CB-CB 3.98Å; T139-H196 PolarHBondContact N-O 2.99Å |
| 197 | V | 95.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 126.7 | -176.3 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | T139 L141 F186 V224 H225 Y226 L227 | T139-V197 CarbonylContact O-C 3.49Å; T139-V197 WeakPolarHBondContact O-CA 3.01Å; L141-V197 HydrophobicContact CD1-CG1 3.54Å; L141-V197 HydrophobicContact CG-CG1 3.7Å; F186-V197 HydrophobicContact CE1-CG1 4.33Å; F186-V197 HydrophobicContact CE1-CG2 3.93Å; F186-V197 HydrophobicContact CZ-CG2 4.02Å; V197-V224 HydrophobicContact CB-CG1 4.5Å; V197-V224 HydrophobicContact CG2-CG1 3.69Å; V197-H225 PolarHBondContact N-O 3.22Å; V197-Y226 HydrophobicContact CB-CD1 3.87Å; V197-Y226 HydrophobicContact CB-CD2 4.5Å; V197-Y226 HydrophobicContact CB-CE1 3.74Å; V197-Y226 HydrophobicContact CB-CE2 4.37Å; V197-Y226 HydrophobicContact CB-CG 4.25Å; V197-Y226 HydrophobicContact CG1-CD1 3.81Å; V197-Y226 HydrophobicContact CG1-CE1 3.36Å; V197-Y226 HydrophobicContact CG2-CE1 4.38Å; V197-Y226 HydrophobicContact CG2-CE2 4.37Å; V197-Y226 CarbonylContact O-C 3.48Å; V197-Y226 VanDerWaalsContact O-CA 3.31Å; V197-Y226 WeakPolarHBondContact O-CA 3.35Å; V197-L227 PolarHBondContact O-N 3.38Å |
| 198 | I | 96.2 | Very high | 86.2 | Confident | 1 Ų | 1 | 55.3 Ų | 55.3 | 1% | 0.005 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 118.4 | 172.1 | -58 | -178.2 | 0 | 0 | 0 | 107.6 | I126 I130 W135 F138 T139 F140 L141 L154 L227 A229 | I126-I198 HydrophobicContact CG2-CD1 4.36Å; I130-I198 HydrophobicContact CD1-CD1 3.92Å; W135-I198 HydrophobicContact CZ3-CD1 4.4Å; W135-I198 HydrophobicContact CZ3-CG1 3.96Å; F138-I198 HydrophobicContact CB-CG1 4.44Å; F138-I198 HydrophobicContact CD1-CD1 4.25Å; F138-I198 HydrophobicContact CD2-CB 4.45Å; F138-I198 HydrophobicContact CD2-CD1 3.55Å; F138-I198 HydrophobicContact CD2-CG1 3.9Å; F138-I198 HydrophobicContact CE1-CD1 4.35Å; F138-I198 HydrophobicContact CE2-CD1 3.67Å; F138-I198 HydrophobicContact CE2-CG1 4.42Å; F138-I198 HydrophobicContact CG-CD1 3.88Å; F138-I198 HydrophobicContact CG-CG1 4.22Å; F138-I198 HydrophobicContact CZ-CD1 4.07Å; T139-I198 PolarHBondContact O-N 3.18Å; F140-I198 HydrophobicContact CD2-CB 3.74Å; F140-I198 HydrophobicContact CD2-CD1 4.37Å; F140-I198 HydrophobicContact CD2-CG2 3.7Å; F140-I198 HydrophobicContact CE2-CB 4.2Å; F140-I198 HydrophobicContact CE2-CG2 3.61Å; L141-I198 PolarHBondContact N-O 3.41Å; L154-I198 HydrophobicContact CD2-CD1 4.04Å; I198-L227 CarbonylContact C-O 3.57Å; I198-L227 WeakPolarHBondContact CA-O 3.31Å; I198-L227 HydrophobicContact CG1-CB 4.44Å; I198-L227 HydrophobicContact CG1-CD2 4.48Å; I198-A229 HydrophobicContact CG2-CB 3.6Å |
| 199 | L | 95.4 | Very high | 86.4 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 110.1 | 177.3 | -179.4 | 62.1 | 0 | 0 | 0 | 109.7 | L141 L172 V201 L207 L211 Y226 L227 A229 | L141-L199 HydrophobicContact CB-CD1 3.92Å; L141-L199 HydrophobicContact CD1-CD1 4.28Å; L172-L199 HydrophobicContact CD1-CD1 3.7Å; L199-V201 HydrophobicContact CD1-CG2 3.7Å; L199-V201 HydrophobicContact CD2-CG2 4.48Å; L199-V201 HydrophobicContact CG-CG2 3.9Å; L199-L207 HydrophobicContact CD2-CD1 4.03Å; L199-L211 HydrophobicContact CD2-CD2 4.28Å; L199-Y226 HydrophobicContact CB-CD1 4.34Å; L199-L227 PolarHBondContact N-O 2.83Å; L199-A229 PolarHBondContact O-N 3.35Å |
| 200 | H | 93.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.009 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 107.3 | 176.2 | -167.4 | -60.7 | 0 | 0 | 0 | 110.5 | F140 L141 Y142 D143 E150 | F140-H200 HydrophobicContact CE1-CB 4.1Å; F140-H200 HydrophobicContact CE2-CB 4.34Å; F140-H200 HydrophobicContact CZ-CB 3.68Å; L141-H200 PolarHBondContact O-N 2.84Å; Y142-H200 VanDerWaalsContact CA-O 3.28Å; Y142-H200 WeakPolarHBondContact CA-O 3.44Å; D143-H200 PolarHBondContact N-O 3.39Å; E150-H200 IonicContact OE1-CE1 2.75Å; E150-H200 IonicContact OE1-NE2 2.91Å; E150-H200 PolarHBondContact OE1-NE2 2.92Å; E150-H200 IonicContact OE2-CD2 3.75Å; E150-H200 PolarHBondContact OE2-CD2 3.25Å; E150-H200 IonicContact OE2-NE2 2.63Å; E150-H200 PolarHBondContact OE2-NE2 3.07Å |
| 201 | V | 90.4 | Very high | 87 | Confident | 1 Ų | 1 | 50.8 Ų | 50.8 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | trans | -126.3 | 125.3 | 178.6 | -174.8 | 0 | 0 | 0 | 0 | 108 | L172 L199 K206 L207 M210 Q231 | L172-V201 HydrophobicContact CD1-CG2 4.36Å; L199-V201 HydrophobicContact CD1-CG2 3.7Å; L199-V201 HydrophobicContact CD2-CG2 4.48Å; L199-V201 HydrophobicContact CG-CG2 3.9Å; V201-K206 HydrophobicContact CG1-CB 4.05Å; V201-L207 HydrophobicContact CB-CB 4.04Å; V201-L207 HydrophobicContact CB-CD1 4.02Å; V201-L207 HydrophobicContact CG1-CB 3.96Å; V201-L207 HydrophobicContact CG2-CD1 3.96Å; V201-M210 HydrophobicContact CB-SD 4.36Å; V201-M210 HydrophobicContact CG1-CE 4.28Å; V201-M210 HydrophobicContact CG1-SD 4.01Å; V201-M210 HydrophobicContact CG2-CE 4.33Å; V201-M210 HydrophobicContact CG2-SD 3.38Å; V201-M210 WeakPolarHBondContact CG2-SD 3.44Å; V201-Q231 WeakPolarHBondContact O-CG 3.37Å; V201-Q231 PolarHBondContact O-N 3.43Å | ||
| 202 | R | 82.3 | Confident | 87.2 | Confident | 87 Ų | 87 | 54 Ų | 54 | 33% | 0.328 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -76.2 | -43.7 | -179.1 | 179.7 | -173.9 | 61.8 | 137 | 4.6 | 112.4 | D143 S144 Q231 | D143-R202 WeakPolarHBondContact OD1-CB 3.06Å; D143-R202 PolarHBondContact OD1-N 3.41Å; D143-R202 PolarHBondContact OD2-N 2.8Å; S144-R202 WeakPolarHBondContact OG-CB 3.31Å; R202-Q231 VanDerWaalsContact O-CG 3.25Å; R202-Q231 WeakPolarHBondContact O-CG 3.49Å; R202-Q231 PolarHBondContact O-NE2 2.73Å |
| 203 | S | 82.2 | Confident | 87.7 | Confident | 29 Ų | 29 | 50.3 Ų | 50.3 | 20% | 0.203 | 23% | 0.228 | C | C | . | . | trans | -80.8 | 126.6 | -178.2 | 168.8 | 0 | 0 | 0 | 0 | 111.1 | L205 K206 L207 | S203-L205 PolarHBondContact OG-N 2.56Å; S203-K206 PolarHBondContact O-N 2.87Å; S203-K206 PolarHBondContact OG-N 2.85Å; S203-L207 WeakPolarHBondContact O-CB 3.32Å; S203-L207 PolarHBondContact O-N 3.13Å | ||
| 204 | R | 78.8 | Confident | 88.1 | Confident | 91 Ų | 91 | 44.5 Ų | 44.5 | 34% | 0.343 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -58.8 | -46.3 | 173.9 | -178.3 | -169.7 | 174.5 | -148.7 | -0.3 | 112.1 | E19 L207 K208 | E19-R204 IonicContact OE1-NH1 3.58Å; E19-R204 PolarHBondContact OE1-NH1 2.83Å; E19-R204 IonicContact OE2-CZ 2.73Å; E19-R204 IonicContact OE2-NH1 3.9Å; E19-R204 PolarHBondContact OE2-NH1 3.3Å; R204-L207 PolarHBondContact O-N 2.95Å; R204-K208 PolarHBondContact O-N 2.88Å |
| 205 | L | 80.3 | Confident | 88.1 | Confident | 78 Ų | 78 | 40 Ų | 40 | 41% | 0.408 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.9 | -45.6 | 179.3 | -70.7 | 174.3 | 0 | 0 | 0 | 110.8 | E19 S203 L207 K208 F209 | E19-L205 WeakPolarHBondContact OE1-CD2 3.17Å; S203-L205 PolarHBondContact OG-N 2.56Å; L205-L207 PolarHBondContact O-N 2.75Å; L205-K208 PolarHBondContact O-N 2.88Å; L205-F209 WeakPolarHBondContact O-CD2 3.08Å; L205-F209 PolarHBondContact O-N 3.08Å; L205-F209 VanDerWaalsContact O-N 3.11Å |
| 206 | K | 85.4 | Confident | 87.4 | Confident | 60 Ų | 60 | 40.7 Ų | 40.7 | 26% | 0.261 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63 | -42.6 | 175.5 | -64.2 | -166.5 | -176.1 | -151.6 | 0 | 111.7 | E176 V201 S203 K208 F209 M210 | E176-K206 IonicContact OE1-NZ 2.63Å; E176-K206 PolarHBondContact OE1-NZ 2.89Å; E176-K206 IonicContact OE2-NZ 3.55Å; E176-K206 PolarHBondContact OE2-NZ 3.46Å; V201-K206 HydrophobicContact CG1-CB 4.05Å; S203-K206 PolarHBondContact O-N 2.87Å; S203-K206 PolarHBondContact OG-N 2.85Å; K206-K208 VanDerWaalsContact C-N 3.31Å; K206-K208 PolarHBondContact O-N 3.46Å; K206-F209 PolarHBondContact O-N 2.99Å; K206-M210 WeakPolarHBondContact O-CB 3.21Å; K206-M210 WeakPolarHBondContact O-CG 3.35Å; K206-M210 PolarHBondContact O-N 3.03Å |
| 207 | L | 89.4 | Confident | 86.4 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.8 | -43.1 | 176.1 | -179.6 | 60.9 | 0 | 0 | 0 | 110.9 | L199 V201 S203 R204 L205 F209 M210 L211 I228 Q231 V233 | L199-L207 HydrophobicContact CD2-CD1 4.03Å; V201-L207 HydrophobicContact CB-CB 4.04Å; V201-L207 HydrophobicContact CB-CD1 4.02Å; V201-L207 HydrophobicContact CG1-CB 3.96Å; V201-L207 HydrophobicContact CG2-CD1 3.96Å; S203-L207 WeakPolarHBondContact O-CB 3.32Å; S203-L207 PolarHBondContact O-N 3.13Å; R204-L207 PolarHBondContact O-N 2.95Å; L205-L207 PolarHBondContact O-N 2.75Å; L207-F209 PolarHBondContact O-N 3.23Å; L207-M210 PolarHBondContact O-N 3.48Å; L207-L211 HydrophobicContact CD1-CD1 4.11Å; L207-L211 HydrophobicContact CD1-CD2 4.12Å; L207-L211 HydrophobicContact CD1-CG 3.81Å; L207-L211 HydrophobicContact CG-CD1 3.95Å; L207-L211 HydrophobicContact CG-CG 4.08Å; L207-L211 WeakPolarHBondContact O-CB 3.26Å; L207-L211 VanDerWaalsContact O-CG 3.27Å; L207-L211 WeakPolarHBondContact O-CG 2.99Å; L207-L211 PolarHBondContact O-N 2.9Å; L207-I228 HydrophobicContact CD1-CG2 4.08Å; L207-I228 HydrophobicContact CD2-CG2 4.07Å; L207-Q231 HydrophobicContact CD2-CB 3.71Å; L207-V233 HydrophobicContact CD2-CG2 3.76Å |
| 208 | K | 86 | Confident | 85.1 | Confident | 129 Ų | 129 | 39.6 Ų | 39.6 | 56% | 0.561 | 18% | 0.176 | S | C | * | . | H | α-helix | trans | -59.4 | -44.7 | 177.3 | -173.2 | -179.5 | 179.8 | -177.8 | 0 | 112.1 | R204 L205 K206 R212 | R204-K208 PolarHBondContact O-N 2.88Å; L205-K208 PolarHBondContact O-N 2.88Å; K206-K208 VanDerWaalsContact C-N 3.31Å; K206-K208 PolarHBondContact O-N 3.46Å; K208-R212 PolarHBondContact O-N 2.81Å; K208-R212 VanDerWaalsContact O-N 3.16Å |
| 209 | F | 85.7 | Confident | 83.4 | Confident | 109 Ų | 109 | 40 Ų | 40 | 48% | 0.478 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -66.3 | -43.9 | 175.3 | -69.7 | -61.4 | 0 | 0 | 0 | 112 | L205 K206 L207 L211 R212 D213 | L205-F209 WeakPolarHBondContact O-CD2 3.08Å; L205-F209 PolarHBondContact O-N 3.08Å; L205-F209 VanDerWaalsContact O-N 3.11Å; K206-F209 PolarHBondContact O-N 2.99Å; L207-F209 PolarHBondContact O-N 3.23Å; F209-L211 VanDerWaalsContact C-N 3.35Å; F209-L211 PolarHBondContact O-N 3.21Å; F209-R212 WeakPolarHBondContact O-CB 3.38Å; F209-R212 PolarHBondContact O-N 2.84Å; F209-D213 VanDerWaalsContact O-CG 3.28Å; F209-D213 PolarHBondContact O-N 3.13Å |
| 210 | M | 90.2 | Very high | 81.6 | Confident | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -64 | -36.4 | 176.9 | -73.3 | 178.8 | -171.6 | 0 | 0 | 112.7 | L172 Y179 F183 V201 K206 L207 D213 L214 | L172-M210 HydrophobicContact CB-CE 4.42Å; L172-M210 HydrophobicContact CD1-CE 4.11Å; L172-M210 HydrophobicContact CD1-SD 4.02Å; Y179-M210 HydrophobicContact CD1-CE 3.92Å; Y179-M210 HydrophobicContact CD1-CG 4.28Å; Y179-M210 HydrophobicContact CD2-CE 4.21Å; Y179-M210 HydrophobicContact CD2-CG 3.68Å; Y179-M210 HydrophobicContact CE1-CE 3.39Å; Y179-M210 HydrophobicContact CE2-CE 3.68Å; Y179-M210 HydrophobicContact CE2-CG 4Å; Y179-M210 HydrophobicContact CG-CE 4.31Å; Y179-M210 HydrophobicContact CG-CG 3.82Å; Y179-M210 WeakPolarHBondContact OH-CE 3.46Å; F183-M210 HydrophobicContact CE2-CB 4.35Å; F183-M210 WeakPolarHBondContact CE2-O 3.03Å; F183-M210 HydrophobicContact CZ-CB 4.48Å; V201-M210 HydrophobicContact CB-SD 4.36Å; V201-M210 HydrophobicContact CG1-CE 4.28Å; V201-M210 HydrophobicContact CG1-SD 4.01Å; V201-M210 HydrophobicContact CG2-CE 4.33Å; V201-M210 HydrophobicContact CG2-SD 3.38Å; V201-M210 WeakPolarHBondContact CG2-SD 3.44Å; K206-M210 WeakPolarHBondContact O-CB 3.21Å; K206-M210 WeakPolarHBondContact O-CG 3.35Å; K206-M210 PolarHBondContact O-N 3.03Å; L207-M210 PolarHBondContact O-N 3.48Å; M210-D213 PolarHBondContact O-N 3.27Å; M210-L214 WeakPolarHBondContact O-CA 3.46Å; M210-L214 WeakPolarHBondContact O-CB 3.1Å; M210-L214 PolarHBondContact O-N 2.87Å |
| 211 | L | 90.5 | Very high | 80.1 | Confident | 9 Ų | 9 | 46.3 Ų | 46.3 | 5% | 0.047 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -69.4 | -35.9 | 176.5 | -71.6 | 178.6 | 0 | 0 | 0 | 111.6 | L199 L207 F209 L214 L215 I228 V233 F241 | L199-L211 HydrophobicContact CD2-CD2 4.28Å; L207-L211 HydrophobicContact CD1-CD1 4.11Å; L207-L211 HydrophobicContact CD1-CD2 4.12Å; L207-L211 HydrophobicContact CD1-CG 3.81Å; L207-L211 HydrophobicContact CG-CD1 3.95Å; L207-L211 HydrophobicContact CG-CG 4.08Å; L207-L211 WeakPolarHBondContact O-CB 3.26Å; L207-L211 VanDerWaalsContact O-CG 3.27Å; L207-L211 WeakPolarHBondContact O-CG 2.99Å; L207-L211 PolarHBondContact O-N 2.9Å; F209-L211 VanDerWaalsContact C-N 3.35Å; F209-L211 PolarHBondContact O-N 3.21Å; L211-L214 HydrophobicContact CD2-CD2 4.35Å; L211-L215 VanDerWaalsContact O-CB 3.24Å; L211-L215 WeakPolarHBondContact O-CB 3.48Å; L211-L215 PolarHBondContact O-N 3.32Å; L211-I228 HydrophobicContact CD1-CD1 4.31Å; L211-I228 HydrophobicContact CD2-CD1 3.49Å; L211-I228 VanDerWaalsContact CD2-CD1 3.49Å; L211-I228 HydrophobicContact CD2-CG1 4.23Å; L211-V233 HydrophobicContact CD1-CG1 4.02Å; L211-V233 HydrophobicContact CD1-CG2 4.02Å; L211-F241 HydrophobicContact CD2-CE2 4.36Å; L211-F241 HydrophobicContact CD2-CZ 4.26Å |
| 212 | R | 85 | Confident | 79 | Confident | 129 Ų | 129 | 52 Ų | 52 | 49% | 0.487 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -63.4 | -52.8 | 170.7 | -177.5 | -160.6 | 66.2 | -168.1 | -2.2 | 110.4 | K208 F209 L214 L215 D216 | K208-R212 PolarHBondContact O-N 2.81Å; K208-R212 VanDerWaalsContact O-N 3.16Å; F209-R212 WeakPolarHBondContact O-CB 3.38Å; F209-R212 PolarHBondContact O-N 2.84Å; R212-L214 VanDerWaalsContact C-N 3.25Å; R212-L214 PolarHBondContact O-N 2.88Å; R212-L215 WeakPolarHBondContact O-CB 3.27Å; R212-L215 PolarHBondContact O-N 3.42Å; R212-L215 VanDerWaalsContact O-N 3.13Å; R212-D216 WeakPolarHBondContact O-CB 3.46Å; R212-D216 VanDerWaalsContact O-CG 3.28Å; R212-D216 PolarHBondContact O-N 2.88Å |
| 213 | D | 85.8 | Confident | 78.8 | Confident | 14 Ų | 14 | 52 Ų | 52 | 8% | 0.075 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -32 | -179.4 | -65.7 | 0.2 | 0 | 0 | 0 | 111.9 | F180 F183 F209 M210 A217 | F180-D213 HydrophobicContact CB-CB 4.07Å; F183-D213 HydrophobicContact CD2-CB 4.39Å; F209-D213 VanDerWaalsContact O-CG 3.28Å; F209-D213 PolarHBondContact O-N 3.13Å; M210-D213 PolarHBondContact O-N 3.27Å; D213-A217 WeakPolarHBondContact O-CB 2.95Å; D213-A217 PolarHBondContact O-N 2.97Å |
| 214 | L | 88 | Confident | 79.2 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -68.1 | -46.7 | 172.1 | 176.1 | 63.7 | 0 | 0 | 0 | 110.6 | F183 M210 L211 R212 D216 A217 A218 Y226 F241 M246 | F183-L214 HydrophobicContact CD1-CD1 3.78Å; F183-L214 HydrophobicContact CD2-CB 4.06Å; F183-L214 HydrophobicContact CD2-CD1 4.42Å; F183-L214 HydrophobicContact CE1-CD1 3.98Å; F183-L214 HydrophobicContact CE2-CB 3.85Å; F183-L214 HydrophobicContact CG-CD1 4.03Å; F183-L214 HydrophobicContact CZ-CB 4.13Å; F183-L214 HydrophobicContact CZ-CD1 4.39Å; M210-L214 WeakPolarHBondContact O-CA 3.46Å; M210-L214 WeakPolarHBondContact O-CB 3.1Å; M210-L214 PolarHBondContact O-N 2.87Å; L211-L214 HydrophobicContact CD2-CD2 4.35Å; R212-L214 VanDerWaalsContact C-N 3.25Å; R212-L214 PolarHBondContact O-N 2.88Å; L214-D216 VanDerWaalsContact C-N 3.26Å; L214-D216 PolarHBondContact O-N 2.9Å; L214-A217 CarbonylContact O-C 3.55Å; L214-A217 PolarHBondContact O-N 3.23Å; L214-A218 WeakPolarHBondContact O-CA 3.48Å; L214-A218 WeakPolarHBondContact O-CB 3.33Å; L214-A218 PolarHBondContact O-N 3.4Å; L214-Y226 HydrophobicContact CD1-CD2 4.5Å; L214-Y226 HydrophobicContact CD1-CE1 4.04Å; L214-Y226 HydrophobicContact CD1-CE2 3.88Å; L214-Y226 HydrophobicContact CD2-CD1 3.93Å; L214-Y226 HydrophobicContact CD2-CD2 4.46Å; L214-Y226 HydrophobicContact CD2-CE1 4.03Å; L214-Y226 HydrophobicContact CD2-CG 4.16Å; L214-F241 HydrophobicContact CD2-CE1 4.23Å; L214-F241 HydrophobicContact CD2-CZ 4.21Å; L214-F241 HydrophobicContact CG-CE1 4.11Å; L214-F241 HydrophobicContact CG-CZ 4.36Å; L214-M246 HydrophobicContact CD1-CE 4Å; L214-M246 HydrophobicContact CD1-SD 4.27Å; L214-M246 HydrophobicContact CD2-SD 4.42Å; L214-M246 HydrophobicContact CG-CE 4.49Å; L214-M246 HydrophobicContact CG-SD 4.22Å |
| 215 | L | 82.6 | Confident | 79.9 | Confident | 50 Ų | 50 | 47.2 Ų | 47.2 | 26% | 0.262 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -60 | -39.7 | 176.1 | -177.5 | 67.6 | 0 | 0 | 0 | 111 | L211 R212 A218 K240 F241 | L211-L215 VanDerWaalsContact O-CB 3.24Å; L211-L215 WeakPolarHBondContact O-CB 3.48Å; L211-L215 PolarHBondContact O-N 3.32Å; R212-L215 WeakPolarHBondContact O-CB 3.27Å; R212-L215 PolarHBondContact O-N 3.42Å; R212-L215 VanDerWaalsContact O-N 3.13Å; L215-A218 WeakPolarHBondContact O-CB 3.31Å; L215-A218 PolarHBondContact O-N 3.39Å; L215-K240 HydrophobicContact CD2-CB 4.16Å; L215-F241 HydrophobicContact CB-CE1 3.84Å; L215-F241 HydrophobicContact CB-CZ 3.97Å; L215-F241 HydrophobicContact CD1-CD1 3.62Å; L215-F241 HydrophobicContact CD1-CE1 3.78Å; L215-F241 HydrophobicContact CD1-CG 4.08Å; L215-F241 HydrophobicContact CD1-CZ 4.34Å; L215-F241 HydrophobicContact CG-CE1 4.44Å |
| 216 | D | 77.2 | Confident | 80.5 | Confident | 35 Ų | 35 | 43.5 Ų | 43.5 | 19% | 0.187 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -64.3 | -45.8 | 174 | -72 | -28.5 | 0 | 0 | 0 | 110.9 | F180 R212 L214 A218 N735 | F180-D216 HydrophobicContact CD2-CB 3.81Å; F180-D216 HydrophobicContact CE2-CB 3.7Å; R212-D216 WeakPolarHBondContact O-CB 3.46Å; R212-D216 VanDerWaalsContact O-CG 3.28Å; R212-D216 PolarHBondContact O-N 2.88Å; L214-D216 VanDerWaalsContact C-N 3.26Å; L214-D216 PolarHBondContact O-N 2.9Å; D216-A218 VanDerWaalsContact C-N 3.29Å; D216-A218 PolarHBondContact O-N 2.86Å; D216-N735 VanDerWaalsContact C-ND2 3.27Å; D216-N735 VanDerWaalsContact CA-ND2 3.27Å; D216-N735 WeakPolarHBondContact CA-ND2 3.26Å; D216-N735 VanDerWaalsContact CB-ND2 3.27Å; D216-N735 WeakPolarHBondContact CB-ND2 3.35Å; D216-N735 PolarHBondContact O-ND2 3.21Å |
| 217 | A | 73 | Confident | 81 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -71.8 | -23.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | F180 F183 L184 D213 L214 A219 K220 | F180-A217 HydrophobicContact CD2-CB 4.24Å; F180-A217 HydrophobicContact CE2-CB 4.31Å; F183-A217 HydrophobicContact CB-CB 3.43Å; F183-A217 VanDerWaalsContact CB-CB 3.43Å; F183-A217 HydrophobicContact CG-CB 4.47Å; L184-A217 HydrophobicContact CD2-CB 4.17Å; L184-A217 HydrophobicContact CG-CB 4.2Å; D213-A217 WeakPolarHBondContact O-CB 2.95Å; D213-A217 PolarHBondContact O-N 2.97Å; L214-A217 CarbonylContact O-C 3.55Å; L214-A217 PolarHBondContact O-N 3.23Å; A217-A219 PolarHBondContact O-N 3.17Å; A217-A219 VanDerWaalsContact O-N 3.11Å; A217-K220 PolarHBondContact O-N 2.78Å |
| 218 | A | 68.9 | Low | 81.3 | Confident | 1 Ų | 1 | 40.4 Ų | 40.4 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -16.1 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | L214 L215 D216 T221 M246 | L214-A218 WeakPolarHBondContact O-CA 3.48Å; L214-A218 WeakPolarHBondContact O-CB 3.33Å; L214-A218 PolarHBondContact O-N 3.4Å; L215-A218 WeakPolarHBondContact O-CB 3.31Å; L215-A218 PolarHBondContact O-N 3.39Å; D216-A218 VanDerWaalsContact C-N 3.29Å; D216-A218 PolarHBondContact O-N 2.86Å; A218-T221 VanDerWaalsContact C-OG1 3.31Å; A218-T221 VanDerWaalsContact CA-OG1 3.31Å; A218-T221 WeakPolarHBondContact CA-OG1 3.24Å; A218-T221 PolarHBondContact O-OG1 3.26Å; A218-M246 VanDerWaalsContact CA-CE 3.44Å; A218-M246 HydrophobicContact CB-CE 3.16Å; A218-M246 HydrophobicContact CB-CG 4.13Å; A218-M246 HydrophobicContact CB-SD 3.66Å |
| 219 | A | 60.6 | Low | 81.3 | Confident | 9 Ų | 9 | 34.3 Ų | 34.3 | 7% | 0.074 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -44.5 | -74.4 | 170 | 0 | 0 | 0 | 0 | 0 | 108.6 | A217 T221 N735 D737 | A217-A219 PolarHBondContact O-N 3.17Å; A217-A219 VanDerWaalsContact O-N 3.11Å; A219-T221 PolarHBondContact O-N 3.28Å; A219-N735 WeakPolarHBondContact CB-O 3.23Å; A219-D737 VanDerWaalsContact C-OD2 3.26Å |
| 220 | K | 57.8 | Low | 81.3 | Confident | 129 Ų | 129 | 29.2 Ų | 29.2 | 56% | 0.561 | 13% | 0.133 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -3.5 | -166.6 | -64.3 | -178.5 | 176 | -174.1 | 0 | 115.7 | A217 D737 E740 | A217-K220 PolarHBondContact O-N 2.78Å; K220-D737 WeakPolarHBondContact CA-OD1 3.36Å; K220-D737 PolarHBondContact N-OD1 3.32Å; K220-E740 WeakPolarHBondContact CE-OE2 3.44Å; K220-E740 IonicContact NZ-OE2 2.86Å; K220-E740 PolarHBondContact NZ-OE2 3.23Å |
| 221 | T | 61.8 | Low | 81.1 | Confident | 6 Ų | 6 | 29.8 Ų | 29.8 | 4% | 0.037 | 14% | 0.135 | C | C | . | . | trans | -93.4 | 110.8 | -171.1 | 32.3 | 0 | 0 | 0 | 0 | 115.9 | H187 A218 A219 V224 L245 M246 | H187-T221 HydrophobicContact CB-CG2 3.22Å; H187-T221 VanDerWaalsContact CD2-CG2 3.46Å; H187-T221 WeakPolarHBondContact CD2-CG2 3.37Å; H187-T221 WeakPolarHBondContact ND1-CG2 3.29Å; A218-T221 VanDerWaalsContact C-OG1 3.31Å; A218-T221 VanDerWaalsContact CA-OG1 3.31Å; A218-T221 WeakPolarHBondContact CA-OG1 3.24Å; A218-T221 PolarHBondContact O-OG1 3.26Å; A219-T221 PolarHBondContact O-N 3.28Å; T221-V224 HydrophobicContact CG2-CG2 4.17Å; T221-L245 VanDerWaalsContact O-CB 3.24Å; T221-L245 WeakPolarHBondContact O-CB 3.13Å; T221-M246 WeakPolarHBondContact OG1-CE 3.11Å | ||
| 222 | R | 67 | Low | 80.9 | Confident | 121 Ų | 121 | 30 Ų | 30 | 46% | 0.457 | 14% | 0.136 | S | C | . | . | trans | -69 | 138.6 | 159.6 | 45.7 | 150.1 | 156 | 169 | -16 | 114.2 | V224 L245 | R222-V224 VanDerWaalsContact C-N 3.34Å; R222-V224 WeakPolarHBondContact O-CG2 3.43Å; R222-V224 PolarHBondContact O-N 3.43Å; R222-L245 HydrophobicContact CB-CB 4.37Å; R222-L245 HydrophobicContact CG-CB 4.4Å; R222-L245 HydrophobicContact CG-CD1 3.73Å; R222-L245 VanDerWaalsContact NE-CD1 3.33Å | ||
| 223 | N | 79.9 | Confident | 81 | Confident | 87 Ų | 87 | 24 Ų | 24 | 47% | 0.465 | 11% | 0.114 | S | C | . | . | S | Bend | trans | 57.6 | 39.1 | 154.4 | -53.4 | -20.1 | 0 | 0 | 0 | 114.7 | A192 E194 N195 | A192-N223 PolarHBondContact O-ND2 2.8Å; A192-N223 VanDerWaalsContact O-ND2 3.16Å; E194-N223 WeakPolarHBondContact CA-O 3.49Å; E194-N223 HydrophobicContact CG-CB 4.45Å; N195-N223 PolarHBondContact N-O 2.71Å |
| 224 | V | 89.1 | Confident | 81.1 | Confident | 3 Ų | 3 | 24.6 Ų | 24.6 | 2% | 0.018 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 131.2 | 174.6 | -166.7 | 0 | 0 | 0 | 0 | 109.9 | L190 N195 V197 T221 R222 Y226 M246 N247 | L190-V224 HydrophobicContact CD1-CG1 4.24Å; L190-V224 HydrophobicContact CD1-CG2 3.58Å; N195-V224 HydrophobicContact CB-CG1 4.5Å; N195-V224 HydrophobicContact CB-CG2 4.49Å; N195-V224 CarbonylContact O-C 3.44Å; N195-V224 VanDerWaalsContact O-CA 3.3Å; N195-V224 WeakPolarHBondContact O-CA 3.35Å; N195-V224 WeakPolarHBondContact O-CG1 3.37Å; V197-V224 HydrophobicContact CB-CG1 4.5Å; V197-V224 HydrophobicContact CG2-CG1 3.69Å; T221-V224 HydrophobicContact CG2-CG2 4.17Å; R222-V224 VanDerWaalsContact C-N 3.34Å; R222-V224 WeakPolarHBondContact O-CG2 3.43Å; R222-V224 PolarHBondContact O-N 3.43Å; V224-Y226 HydrophobicContact CB-CD2 4.43Å; V224-Y226 HydrophobicContact CB-CE2 4.24Å; V224-Y226 HydrophobicContact CG1-CD2 3.69Å; V224-Y226 HydrophobicContact CG1-CE2 3.41Å; V224-Y226 VanDerWaalsContact CG1-CE2 3.41Å; V224-M246 WeakPolarHBondContact O-CA 3.39Å; V224-M246 WeakPolarHBondContact O-CB 2.88Å; V224-N247 PolarHBondContact O-N 2.85Å |
| 225 | H | 92.9 | Very high | 80.9 | Confident | 16 Ų | 16 | 28.5 Ų | 28.5 | 7% | 0.074 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 108.7 | 172.3 | -164.9 | 163.6 | 0 | 0 | 0 | 109.9 | F129 W135 N195 V197 N247 S249 | F129-H225 AromaticContact CZ-CE1 3.64Å; F129-H225 AromaticContact CZ-NE2 3.74Å; W135-H225 HydrophobicContact CZ2-CB 3.95Å; W135-H225 AromaticContact CZ2-CE1 4Å; W135-H225 AromaticContact CZ2-CG 3.57Å; W135-H225 AromaticContact CZ2-ND1 3.57Å; N195-H225 PolarHBondContact O-N 3.19Å; V197-H225 PolarHBondContact N-O 3.22Å; H225-N247 CarbonylContact C-O 3.52Å; H225-N247 WeakPolarHBondContact CA-O 3.39Å; H225-N247 HydrophobicContact CB-CB 4.12Å; H225-N247 PolarHBondContact CD2-O 3.4Å; H225-S249 PolarHBondContact NE2-OG 3.38Å |
| 226 | Y | 94.4 | Very high | 81 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 126.5 | 172.8 | -84.8 | -93.1 | 0 | 0 | 0 | 111.5 | L141 H187 V197 L199 L214 V224 M246 N247 V248 S249 | L141-Y226 HydrophobicContact CD1-CE1 4.21Å; H187-Y226 AromaticContact NE2-CE2 3.7Å; H187-Y226 AromaticContact NE2-CZ 3.63Å; H187-Y226 PolarHBondContact NE2-OH 2.82Å; V197-Y226 HydrophobicContact CB-CD1 3.87Å; V197-Y226 HydrophobicContact CB-CD2 4.5Å; V197-Y226 HydrophobicContact CB-CE1 3.74Å; V197-Y226 HydrophobicContact CB-CE2 4.37Å; V197-Y226 HydrophobicContact CB-CG 4.25Å; V197-Y226 HydrophobicContact CG1-CD1 3.81Å; V197-Y226 HydrophobicContact CG1-CE1 3.36Å; V197-Y226 HydrophobicContact CG2-CE1 4.38Å; V197-Y226 HydrophobicContact CG2-CE2 4.37Å; V197-Y226 CarbonylContact O-C 3.48Å; V197-Y226 VanDerWaalsContact O-CA 3.31Å; V197-Y226 WeakPolarHBondContact O-CA 3.35Å; L199-Y226 HydrophobicContact CB-CD1 4.34Å; L214-Y226 HydrophobicContact CD1-CD2 4.5Å; L214-Y226 HydrophobicContact CD1-CE1 4.04Å; L214-Y226 HydrophobicContact CD1-CE2 3.88Å; L214-Y226 HydrophobicContact CD2-CD1 3.93Å; L214-Y226 HydrophobicContact CD2-CD2 4.46Å; L214-Y226 HydrophobicContact CD2-CE1 4.03Å; L214-Y226 HydrophobicContact CD2-CG 4.16Å; V224-Y226 HydrophobicContact CB-CD2 4.43Å; V224-Y226 HydrophobicContact CB-CE2 4.24Å; V224-Y226 HydrophobicContact CG1-CD2 3.69Å; V224-Y226 HydrophobicContact CG1-CE2 3.41Å; V224-Y226 VanDerWaalsContact CG1-CE2 3.41Å; Y226-M246 HydrophobicContact CD2-CE 4.14Å; Y226-M246 HydrophobicContact CD2-SD 3.79Å; Y226-M246 HydrophobicContact CE2-CE 3.93Å; Y226-M246 HydrophobicContact CE2-SD 4.17Å; Y226-N247 PolarHBondContact N-O 3.42Å; Y226-V248 CarbonylContact O-C 3.58Å; Y226-V248 WeakPolarHBondContact O-CA 3.47Å; Y226-S249 PolarHBondContact O-N 3.25Å |
| 227 | L | 95.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 114.7 | 165.2 | 178.6 | 66.2 | 0 | 0 | 0 | 109.3 | I126 F129 W135 V197 I198 L199 A229 S249 F251 | I126-L227 HydrophobicContact CB-CD2 4.49Å; I126-L227 HydrophobicContact CG1-CD2 4.36Å; I126-L227 HydrophobicContact CG2-CD2 3.79Å; F129-L227 HydrophobicContact CD1-CD1 4.26Å; F129-L227 HydrophobicContact CD1-CD2 3.8Å; F129-L227 HydrophobicContact CE1-CB 4.49Å; F129-L227 HydrophobicContact CE1-CD1 4.11Å; F129-L227 HydrophobicContact CE1-CD2 4.12Å; F129-L227 HydrophobicContact CE1-CG 4.48Å; F129-L227 HydrophobicContact CZ-CD1 4.45Å; W135-L227 HydrophobicContact CH2-CB 3.83Å; W135-L227 HydrophobicContact CZ3-CB 4.31Å; V197-L227 PolarHBondContact O-N 3.38Å; I198-L227 CarbonylContact C-O 3.57Å; I198-L227 WeakPolarHBondContact CA-O 3.31Å; I198-L227 HydrophobicContact CG1-CB 4.44Å; I198-L227 HydrophobicContact CG1-CD2 4.48Å; L199-L227 PolarHBondContact N-O 2.83Å; L227-A229 PolarHBondContact O-N 2.91Å; L227-S249 WeakPolarHBondContact CA-O 3.42Å; L227-F251 HydrophobicContact CD1-CD2 4.19Å; L227-F251 HydrophobicContact CD1-CE2 3.8Å; L227-F251 HydrophobicContact CD2-CE2 4.37Å |
| 228 | I | 94.3 | Very high | 82 | Confident | 1 Ų | 1 | 30.5 Ų | 30.5 | 1% | 0.005 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 103.3 | 177.8 | -52.7 | 163.4 | 0 | 0 | 0 | 108.3 | L207 L211 V233 V248 S249 A250 | L207-I228 HydrophobicContact CD1-CG2 4.08Å; L207-I228 HydrophobicContact CD2-CG2 4.07Å; L211-I228 HydrophobicContact CD1-CD1 4.31Å; L211-I228 HydrophobicContact CD2-CD1 3.49Å; L211-I228 VanDerWaalsContact CD2-CD1 3.49Å; L211-I228 HydrophobicContact CD2-CG1 4.23Å; I228-V233 HydrophobicContact CB-CG2 4.27Å; I228-V233 HydrophobicContact CD1-CG2 4.07Å; I228-V233 HydrophobicContact CG2-CG2 3.63Å; I228-V248 HydrophobicContact CD1-CG1 3.67Å; I228-V248 HydrophobicContact CG1-CG1 4.26Å; I228-S249 PolarHBondContact N-O 3.48Å; I228-A250 HydrophobicContact CB-CB 4.11Å; I228-A250 HydrophobicContact CD1-CB 4.39Å |
| 229 | A | 87.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 16% | 0.159 | C | C | . | . | trans | -97 | -33.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K122 I126 I198 L199 L227 | K122-A229 WeakPolarHBondContact CD-O 3.24Å; I126-A229 HydrophobicContact CD1-CB 3.65Å; I126-A229 HydrophobicContact CG1-CB 4.47Å; I198-A229 HydrophobicContact CG2-CB 3.6Å; L199-A229 PolarHBondContact O-N 3.35Å; L227-A229 PolarHBondContact O-N 2.91Å | ||
| 230 | G | 84.4 | Confident | 83.8 | Confident | 2 Ų | 2 | 37.8 Ų | 37.8 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -68.7 | -96.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K122 | K122-G230 PolarHBondContact NZ-O 3.33Š|
| 231 | Q | 86.4 | Confident | 84.9 | Confident | 12 Ų | 12 | 31.9 Ų | 31.9 | 6% | 0.056 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -72.2 | 154 | 177.2 | -69.6 | -65.4 | -12.8 | 0 | 0 | 112.5 | V201 R202 L207 E287 | V201-Q231 WeakPolarHBondContact O-CG 3.37Å; V201-Q231 PolarHBondContact O-N 3.43Å; R202-Q231 VanDerWaalsContact O-CG 3.25Å; R202-Q231 WeakPolarHBondContact O-CG 3.49Å; R202-Q231 PolarHBondContact O-NE2 2.73Å; L207-Q231 HydrophobicContact CD2-CB 3.71Å; Q231-E287 PolarHBondContact NE2-OE1 2.93Å |
| 232 | E | 86.1 | Confident | 85.5 | Confident | 14 Ų | 14 | 37.5 Ų | 37.5 | 7% | 0.065 | 17% | 0.173 | C | C | . | . | trans | -67.6 | 132.8 | 168.9 | 174.9 | 176.8 | 143.5 | 0 | 0 | 109.8 | Q252 Y253 I254 R256 A286 | E232-Q252 HydrophobicContact CG-CB 4.1Å; E232-Q252 HydrophobicContact CG-CG 3.83Å; E232-Y253 HydrophobicContact CB-CE1 4.23Å; E232-Y253 PolarHBondContact OE2-N 2.84Å; E232-I254 WeakPolarHBondContact OE1-CD1 3.48Å; E232-I254 PolarHBondContact OE2-N 2.81Å; E232-R256 IonicContact OE1-CZ 2.71Å; E232-R256 VanDerWaalsContact OE1-CZ 3.26Å; E232-R256 IonicContact OE1-NH1 3.95Å; E232-R256 PolarHBondContact OE1-NH1 2.65Å; E232-R256 IonicContact OE1-NH2 3.6Å; E232-R256 PolarHBondContact OE1-NH2 2.65Å; E232-A286 HydrophobicContact CB-CB 3.76Å; E232-A286 HydrophobicContact CG-CB 4.35Å | ||
| 233 | V | 88.1 | Confident | 85.2 | Confident | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.024 | 17% | 0.169 | C | C | . | . | trans | -107.9 | 124.2 | 173.5 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | L207 L211 I228 E237 V238 A250 Q252 | L207-V233 HydrophobicContact CD2-CG2 3.76Å; L211-V233 HydrophobicContact CD1-CG1 4.02Å; L211-V233 HydrophobicContact CD1-CG2 4.02Å; I228-V233 HydrophobicContact CB-CG2 4.27Å; I228-V233 HydrophobicContact CD1-CG2 4.07Å; I228-V233 HydrophobicContact CG2-CG2 3.63Å; V233-E237 HydrophobicContact CG1-CB 3.49Å; V233-E237 VanDerWaalsContact CG1-CB 3.49Å; V233-E237 HydrophobicContact CG1-CG 4.47Å; V233-V238 HydrophobicContact CB-CG2 4.16Å; V233-V238 HydrophobicContact CG1-CG2 3.72Å; V233-A250 HydrophobicContact CB-CB 4.04Å; V233-A250 HydrophobicContact CG2-CB 4.48Å; V233-Q252 VanDerWaalsContact O-CG 3.23Å; V233-Q252 WeakPolarHBondContact O-CG 3.44Å; V233-Q252 PolarHBondContact O-NE2 3.47Å; V233-Q252 VanDerWaalsContact O-NE2 3.12Å | ||
| 234 | P | 86 | Confident | 84.3 | Confident | 26 Ų | 26 | 31 Ų | 31 | 17% | 0.169 | 15% | 0.151 | C | C | . | . | trans | -57.3 | 147.9 | 174.1 | -23.7 | 33.6 | 0 | 0 | 0 | 112 | H236 E237 V238 | P234-H236 VanDerWaalsContact C-N 3.29Å; P234-H236 WeakPolarHBondContact CB-CE1 3.35Å; P234-H236 WeakPolarHBondContact CB-ND1 3.39Å; P234-H236 PolarHBondContact O-N 3.04Å; P234-E237 HydrophobicContact CB-CG 4.49Å; P234-E237 HydrophobicContact CG-CG 4.41Å; P234-E237 WeakPolarHBondContact O-CB 3.16Å; P234-E237 PolarHBondContact O-N 3.06Å; P234-V238 PolarHBondContact O-N 2.88Å | ||
| 235 | E | 85 | Confident | 83.3 | Confident | 82 Ų | 82 | 31.1 Ų | 31.1 | 38% | 0.383 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -50 | -48.4 | 179.8 | -176.4 | 172 | -168.1 | 0 | 0 | 112.4 | E237 V238 E239 Q252 T386 | E235-E237 PolarHBondContact O-N 3.12Å; E235-E237 VanDerWaalsContact O-N 3.12Å; E235-V238 WeakPolarHBondContact O-CB 3.27Å; E235-V238 PolarHBondContact O-N 3.08Å; E235-E239 HydrophobicContact CG-CG 4.3Å; E235-E239 WeakPolarHBondContact O-CG 3.28Å; E235-E239 PolarHBondContact O-N 3.23Å; E235-Q252 VanDerWaalsContact N-NE2 3.14Å; E235-T386 HydrophobicContact CG-CG2 3.95Å |
| 236 | H | 83.7 | Confident | 82.8 | Confident | 90 Ų | 90 | 30.4 Ų | 30.4 | 42% | 0.417 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.9 | -23 | 179.1 | 68.1 | -94.3 | 0 | 0 | 0 | 115 | P234 K240 | P234-H236 VanDerWaalsContact C-N 3.29Å; P234-H236 WeakPolarHBondContact CB-CE1 3.35Å; P234-H236 WeakPolarHBondContact CB-ND1 3.39Å; P234-H236 PolarHBondContact O-N 3.04Å; H236-K240 WeakPolarHBondContact O-CG 3.09Å |
| 237 | E | 84.8 | Confident | 82.6 | Confident | 36 Ų | 36 | 32.6 Ų | 32.6 | 17% | 0.168 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -80.3 | -36.8 | 174.6 | -72.5 | -65.9 | 149.2 | 0 | 0 | 110.9 | V233 P234 E235 E239 K240 | V233-E237 HydrophobicContact CG1-CB 3.49Å; V233-E237 VanDerWaalsContact CG1-CB 3.49Å; V233-E237 HydrophobicContact CG1-CG 4.47Å; P234-E237 HydrophobicContact CB-CG 4.49Å; P234-E237 HydrophobicContact CG-CG 4.41Å; P234-E237 WeakPolarHBondContact O-CB 3.16Å; P234-E237 PolarHBondContact O-N 3.06Å; E235-E237 PolarHBondContact O-N 3.12Å; E235-E237 VanDerWaalsContact O-N 3.12Å; E237-E239 VanDerWaalsContact C-N 3.35Å; E237-K240 WeakPolarHBondContact O-CB 3.42Å; E237-K240 PolarHBondContact O-N 3.17Å; E237-K240 IonicContact OE1-NZ 3.22Å; E237-K240 PolarHBondContact OE1-NZ 2.86Å; E237-K240 WeakPolarHBondContact OE2-CE 3.49Å; E237-K240 IonicContact OE2-NZ 2.87Å; E237-K240 PolarHBondContact OE2-NZ 3.36Å |
| 238 | V | 87.9 | Confident | 82.4 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.7 | -40.6 | 172.6 | -170.7 | 0 | 0 | 0 | 0 | 110 | V233 P234 E235 K240 F241 V248 A250 T386 V388 | V233-V238 HydrophobicContact CB-CG2 4.16Å; V233-V238 HydrophobicContact CG1-CG2 3.72Å; P234-V238 PolarHBondContact O-N 2.88Å; E235-V238 WeakPolarHBondContact O-CB 3.27Å; E235-V238 PolarHBondContact O-N 3.08Å; V238-K240 PolarHBondContact O-N 2.86Å; V238-K240 VanDerWaalsContact O-N 3.11Å; V238-F241 WeakPolarHBondContact O-CB 3.3Å; V238-F241 PolarHBondContact O-N 2.96Å; V238-V248 HydrophobicContact CG1-CB 4.34Å; V238-V248 HydrophobicContact CG1-CG1 4.15Å; V238-A250 HydrophobicContact CG2-CB 3.72Å; V238-T386 HydrophobicContact CB-CG2 3.95Å; V238-T386 HydrophobicContact CG1-CG2 3.97Å; V238-T386 HydrophobicContact CG2-CG2 4.4Å; V238-V388 HydrophobicContact CG1-CB 4.48Å; V238-V388 HydrophobicContact CG1-CG2 3.96Å; V238-V388 WeakPolarHBondContact O-CG2 3.27Å |
| 239 | E | 83.6 | Confident | 82.4 | Confident | 71 Ų | 71 | 32.6 Ų | 32.6 | 33% | 0.332 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -59.8 | -22.3 | 178.7 | -71.4 | -170.2 | 128 | 0 | 0 | 114.1 | E235 E237 F241 K242 | E235-E239 HydrophobicContact CG-CG 4.3Å; E235-E239 WeakPolarHBondContact O-CG 3.28Å; E235-E239 PolarHBondContact O-N 3.23Å; E237-E239 VanDerWaalsContact C-N 3.35Å; E239-F241 PolarHBondContact O-N 3.25Å; E239-K242 HydrophobicContact CB-CD 4.16Å; E239-K242 HydrophobicContact CG-CD 4.36Å; E239-K242 WeakPolarHBondContact O-CB 3.37Å; E239-K242 VanDerWaalsContact O-CG 3.23Å; E239-K242 WeakPolarHBondContact O-CG 3.26Å; E239-K242 PolarHBondContact O-N 3.3Å; E239-K242 IonicContact OE1-NZ 2.76Å; E239-K242 PolarHBondContact OE1-NZ 3.11Å |
| 240 | K | 82.3 | Confident | 82.7 | Confident | 93 Ų | 93 | 32.6 Ų | 32.6 | 40% | 0.404 | 16% | 0.16 | S | C | . | . | G | 310 helix | trans | -61.7 | -24.1 | 174 | -66.1 | 177.7 | -173.8 | 171.4 | 0 | 112.6 | L215 H236 E237 V238 K242 T243 | L215-K240 HydrophobicContact CD2-CB 4.16Å; H236-K240 WeakPolarHBondContact O-CG 3.09Å; E237-K240 WeakPolarHBondContact O-CB 3.42Å; E237-K240 PolarHBondContact O-N 3.17Å; E237-K240 IonicContact OE1-NZ 3.22Å; E237-K240 PolarHBondContact OE1-NZ 2.86Å; E237-K240 WeakPolarHBondContact OE2-CE 3.49Å; E237-K240 IonicContact OE2-NZ 2.87Å; E237-K240 PolarHBondContact OE2-NZ 3.36Å; V238-K240 PolarHBondContact O-N 2.86Å; V238-K240 VanDerWaalsContact O-N 3.11Å; K240-K242 PolarHBondContact O-N 3.3Å; K240-T243 PolarHBondContact O-OG1 3.09Å |
| 241 | F | 81.8 | Confident | 83.1 | Confident | 4 Ų | 4 | 33 Ų | 33 | 2% | 0.018 | 16% | 0.162 | C | C | . | . | G | 310 helix | trans | -79.8 | -1.2 | 175.7 | -67 | -89.8 | 0 | 0 | 0 | 113.1 | L211 L214 L215 V238 E239 T243 G244 M246 V248 V388 | L211-F241 HydrophobicContact CD2-CE2 4.36Å; L211-F241 HydrophobicContact CD2-CZ 4.26Å; L214-F241 HydrophobicContact CD2-CE1 4.23Å; L214-F241 HydrophobicContact CD2-CZ 4.21Å; L214-F241 HydrophobicContact CG-CE1 4.11Å; L214-F241 HydrophobicContact CG-CZ 4.36Å; L215-F241 HydrophobicContact CB-CE1 3.84Å; L215-F241 HydrophobicContact CB-CZ 3.97Å; L215-F241 HydrophobicContact CD1-CD1 3.62Å; L215-F241 HydrophobicContact CD1-CE1 3.78Å; L215-F241 HydrophobicContact CD1-CG 4.08Å; L215-F241 HydrophobicContact CD1-CZ 4.34Å; L215-F241 HydrophobicContact CG-CE1 4.44Å; V238-F241 WeakPolarHBondContact O-CB 3.3Å; V238-F241 PolarHBondContact O-N 2.96Å; E239-F241 PolarHBondContact O-N 3.25Å; F241-T243 PolarHBondContact O-N 2.7Å; F241-T243 VanDerWaalsContact O-N 3.16Å; F241-G244 PolarHBondContact O-N 3.23Å; F241-M246 HydrophobicContact CD1-CG 4.16Å; F241-M246 HydrophobicContact CD1-SD 3.89Å; F241-M246 HydrophobicContact CE1-SD 3.94Å; F241-V248 HydrophobicContact CB-CB 4.12Å; F241-V248 HydrophobicContact CB-CG2 3.69Å; F241-V248 HydrophobicContact CD1-CG2 3.6Å; F241-V248 HydrophobicContact CD2-CB 4.33Å; F241-V248 HydrophobicContact CD2-CG1 4.26Å; F241-V248 HydrophobicContact CD2-CG2 4.08Å; F241-V248 HydrophobicContact CE1-CG2 4.22Å; F241-V248 HydrophobicContact CG-CB 4.13Å; F241-V248 HydrophobicContact CG-CG2 3.51Å; F241-V388 HydrophobicContact CB-CG1 4.38Å |
| 242 | K | 73.8 | Confident | 83.3 | Confident | 124 Ų | 124 | 33.2 Ų | 33.2 | 54% | 0.539 | 16% | 0.163 | S | C | . | . | G | 310 helix | trans | -59.6 | -26.7 | 177.3 | -77.5 | 174.9 | 172.8 | 174.2 | 0 | 112.7 | E239 K240 V388 | E239-K242 HydrophobicContact CB-CD 4.16Å; E239-K242 HydrophobicContact CG-CD 4.36Å; E239-K242 WeakPolarHBondContact O-CB 3.37Å; E239-K242 VanDerWaalsContact O-CG 3.23Å; E239-K242 WeakPolarHBondContact O-CG 3.26Å; E239-K242 PolarHBondContact O-N 3.3Å; E239-K242 IonicContact OE1-NZ 2.76Å; E239-K242 PolarHBondContact OE1-NZ 3.11Å; K240-K242 PolarHBondContact O-N 3.3Å; K242-V388 VanDerWaalsContact CA-CG1 3.47Å; K242-V388 HydrophobicContact CB-CG1 4.2Å; K242-V388 HydrophobicContact CG-CB 4.43Å; K242-V388 HydrophobicContact CG-CG1 3.72Å; K242-V388 HydrophobicContact CG-CG2 3.81Å |
| 243 | T | 61 | Low | 83.5 | Confident | 63 Ų | 63 | 33 Ų | 33 | 39% | 0.387 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -87.4 | -11.2 | 176.6 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | K240 F241 | K240-T243 PolarHBondContact O-OG1 3.09Å; F241-T243 PolarHBondContact O-N 2.7Å; F241-T243 VanDerWaalsContact O-N 3.16Å |
| 244 | G | 61.1 | Low | 83.6 | Confident | 9 Ų | 9 | 33.2 Ų | 33.2 | 9% | 0.093 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -85.4 | 167.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | F241 M246 F390 | F241-G244 PolarHBondContact O-N 3.23Å; G244-M246 VanDerWaalsContact C-N 3.34Å; G244-F390 WeakPolarHBondContact O-CD2 3.28Å |
| 245 | L | 69 | Low | 83.6 | Confident | 6 Ų | 6 | 35 Ų | 35 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -91 | 8.7 | 176.8 | -63.2 | -167.3 | 0 | 0 | 0 | 114.3 | T221 R222 F390 W394 D737 | T221-L245 VanDerWaalsContact O-CB 3.24Å; T221-L245 WeakPolarHBondContact O-CB 3.13Å; R222-L245 HydrophobicContact CB-CB 4.37Å; R222-L245 HydrophobicContact CG-CB 4.4Å; R222-L245 HydrophobicContact CG-CD1 3.73Å; R222-L245 VanDerWaalsContact NE-CD1 3.33Å; L245-F390 HydrophobicContact CD2-CD2 3.74Å; L245-F390 HydrophobicContact CD2-CE1 4.37Å; L245-F390 HydrophobicContact CD2-CE2 3.13Å; L245-F390 HydrophobicContact CD2-CZ 3.49Å; L245-F390 VanDerWaalsContact CD2-CZ 3.49Å; L245-W394 HydrophobicContact CD1-CZ2 4.5Å; L245-W394 HydrophobicContact CD2-CH2 3.78Å; L245-W394 HydrophobicContact CD2-CZ2 3.8Å; L245-W394 HydrophobicContact CG-CH2 4.4Å; L245-D737 WeakPolarHBondContact CD1-OD2 3.27Å; L245-D737 WeakPolarHBondContact CG-OD2 3.4Å |
| 246 | M | 82.4 | Confident | 83.7 | Confident | 1 Ų | 1 | 33.5 Ų | 33.5 | 1% | 0.005 | 16% | 0.161 | C | C | . | . | S | Bend | trans | -114.2 | 148.4 | -179.1 | 62.5 | 173.7 | 54.9 | 0 | 0 | 111.6 | L214 A218 T221 V224 Y226 F241 G244 V248 | L214-M246 HydrophobicContact CD1-CE 4Å; L214-M246 HydrophobicContact CD1-SD 4.27Å; L214-M246 HydrophobicContact CD2-SD 4.42Å; L214-M246 HydrophobicContact CG-CE 4.49Å; L214-M246 HydrophobicContact CG-SD 4.22Å; A218-M246 VanDerWaalsContact CA-CE 3.44Å; A218-M246 HydrophobicContact CB-CE 3.16Å; A218-M246 HydrophobicContact CB-CG 4.13Å; A218-M246 HydrophobicContact CB-SD 3.66Å; T221-M246 WeakPolarHBondContact OG1-CE 3.11Å; V224-M246 WeakPolarHBondContact O-CA 3.39Å; V224-M246 WeakPolarHBondContact O-CB 2.88Å; Y226-M246 HydrophobicContact CD2-CE 4.14Å; Y226-M246 HydrophobicContact CD2-SD 3.79Å; Y226-M246 HydrophobicContact CE2-CE 3.93Å; Y226-M246 HydrophobicContact CE2-SD 4.17Å; F241-M246 HydrophobicContact CD1-CG 4.16Å; F241-M246 HydrophobicContact CD1-SD 3.89Å; F241-M246 HydrophobicContact CE1-SD 3.94Å; G244-M246 VanDerWaalsContact C-N 3.34Å; M246-V248 HydrophobicContact CG-CG2 3.86Å; M246-V248 HydrophobicContact SD-CG2 3.93Å |
| 247 | N | 88.6 | Confident | 83.8 | Confident | 46 Ų | 46 | 36.1 Ų | 36.1 | 25% | 0.246 | 17% | 0.174 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.5 | 129.8 | 171.1 | -65.1 | -16.3 | 0 | 0 | 0 | 108.5 | V224 H225 Y226 V388 E389 F390 | V224-N247 PolarHBondContact O-N 2.85Å; H225-N247 CarbonylContact C-O 3.52Å; H225-N247 WeakPolarHBondContact CA-O 3.39Å; H225-N247 HydrophobicContact CB-CB 4.12Å; H225-N247 PolarHBondContact CD2-O 3.4Å; Y226-N247 PolarHBondContact N-O 3.42Å; N247-V388 VanDerWaalsContact CA-O 3.28Å; N247-V388 WeakPolarHBondContact CA-O 3.44Å; N247-E389 WeakPolarHBondContact OD1-CA 3.27Å; N247-F390 PolarHBondContact OD1-N 3.31Å |
| 248 | V | 92.4 | Very high | 84.1 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 124.7 | 177.6 | -173 | 0 | 0 | 0 | 0 | 109.6 | Y226 I228 V238 F241 M246 V388 | Y226-V248 CarbonylContact O-C 3.58Å; Y226-V248 WeakPolarHBondContact O-CA 3.47Å; I228-V248 HydrophobicContact CD1-CG1 3.67Å; I228-V248 HydrophobicContact CG1-CG1 4.26Å; V238-V248 HydrophobicContact CG1-CB 4.34Å; V238-V248 HydrophobicContact CG1-CG1 4.15Å; F241-V248 HydrophobicContact CB-CB 4.12Å; F241-V248 HydrophobicContact CB-CG2 3.69Å; F241-V248 HydrophobicContact CD1-CG2 3.6Å; F241-V248 HydrophobicContact CD2-CB 4.33Å; F241-V248 HydrophobicContact CD2-CG1 4.26Å; F241-V248 HydrophobicContact CD2-CG2 4.08Å; F241-V248 HydrophobicContact CE1-CG2 4.22Å; F241-V248 HydrophobicContact CG-CB 4.13Å; F241-V248 HydrophobicContact CG-CG2 3.51Å; M246-V248 HydrophobicContact CG-CG2 3.86Å; M246-V248 HydrophobicContact SD-CG2 3.93Å; V248-V388 PolarHBondContact N-O 3.32Å; V248-V388 PolarHBondContact O-N 3.43Å |
| 249 | S | 94.6 | Very high | 84.2 | Confident | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.007 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 139.8 | 177.1 | -57.9 | 0 | 0 | 0 | 0 | 110.1 | H225 Y226 L227 I228 T386 E387 | H225-S249 PolarHBondContact NE2-OG 3.38Å; Y226-S249 PolarHBondContact O-N 3.25Å; L227-S249 WeakPolarHBondContact CA-O 3.42Å; I228-S249 PolarHBondContact N-O 3.48Å; S249-T386 VanDerWaalsContact CA-O 3.29Å; S249-T386 WeakPolarHBondContact CA-O 3.12Å; S249-E387 PolarHBondContact OG-OE2 2.89Å |
| 250 | A | 94.2 | Very high | 84.7 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 145.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | I228 V233 V238 T386 | I228-A250 HydrophobicContact CB-CB 4.11Å; I228-A250 HydrophobicContact CD1-CB 4.39Å; V233-A250 HydrophobicContact CB-CB 4.04Å; V233-A250 HydrophobicContact CG2-CB 4.48Å; V238-A250 HydrophobicContact CG2-CB 3.72Å; A250-T386 PolarHBondContact N-O 3.12Å; A250-T386 PolarHBondContact O-N 3.47Å |
| 251 | F | 92.4 | Very high | 85.2 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 5% | 0.053 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 141.6 | 176.4 | -67.6 | -76.4 | 0 | 0 | 0 | 112.4 | A125 I126 F129 L227 L383 G384 L385 | A125-F251 HydrophobicContact CB-CE1 4.16Å; A125-F251 HydrophobicContact CB-CZ 4.24Å; I126-F251 HydrophobicContact CB-CE2 4.49Å; I126-F251 HydrophobicContact CG1-CD2 4.14Å; I126-F251 HydrophobicContact CG1-CE2 3.68Å; F129-F251 HydrophobicContact CB-CZ 3.97Å; F129-F251 HydrophobicContact CG-CZ 4.41Å; L227-F251 HydrophobicContact CD1-CD2 4.19Å; L227-F251 HydrophobicContact CD1-CE2 3.8Å; L227-F251 HydrophobicContact CD2-CE2 4.37Å; F251-L383 HydrophobicContact CD1-CB 4.29Å; F251-L383 HydrophobicContact CD1-CD1 4.48Å; F251-G384 CarbonylContact C-O 3.59Å; F251-G384 WeakPolarHBondContact CA-O 3.35Å; F251-L385 HydrophobicContact CD1-CB 4.34Å; F251-L385 HydrophobicContact CD1-CD1 3.97Å; F251-L385 HydrophobicContact CE1-CB 4.31Å; F251-L385 HydrophobicContact CE1-CD1 3.8Å; F251-L385 HydrophobicContact CE1-CG 4.49Å; F251-L385 HydrophobicContact CG-CD1 4.44Å; F251-L385 HydrophobicContact CZ-CD1 4.12Å |
| 252 | Q | 91.1 | Very high | 85.7 | Confident | 16 Ų | 16 | 41.6 Ų | 41.6 | 8% | 0.075 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 145 | 177.7 | -63.8 | 165.9 | 33.1 | 0 | 0 | 110.6 | E232 V233 E235 L383 G384 T386 | E232-Q252 HydrophobicContact CG-CB 4.1Å; E232-Q252 HydrophobicContact CG-CG 3.83Å; V233-Q252 VanDerWaalsContact O-CG 3.23Å; V233-Q252 WeakPolarHBondContact O-CG 3.44Å; V233-Q252 PolarHBondContact O-NE2 3.47Å; V233-Q252 VanDerWaalsContact O-NE2 3.12Å; E235-Q252 VanDerWaalsContact N-NE2 3.14Å; Q252-L383 CarbonylContact O-C 3.55Å; Q252-L383 WeakPolarHBondContact O-CA 3.29Å; Q252-G384 PolarHBondContact N-O 2.93Å; Q252-G384 PolarHBondContact O-N 3.49Å; Q252-T386 PolarHBondContact NE2-OG1 2.83Å |
| 253 | Y | 89.5 | Confident | 86.5 | Confident | 8 Ų | 8 | 40 Ų | 40 | 3% | 0.031 | 21% | 0.207 | C | C | . | . | trans | -123.9 | -3.4 | 174.2 | 51.8 | -100.3 | 0 | 0 | 0 | 113.2 | P120 E232 A286 L290 T367 L383 | P120-Y253 HydrophobicContact CG-CD1 4.31Å; P120-Y253 HydrophobicContact CG-CD2 4.45Å; P120-Y253 HydrophobicContact CG-CG 4.13Å; E232-Y253 HydrophobicContact CB-CE1 4.23Å; E232-Y253 PolarHBondContact OE2-N 2.84Å; Y253-A286 HydrophobicContact CE2-CB 4.13Å; Y253-A286 WeakPolarHBondContact OH-CB 3.46Å; Y253-L290 HydrophobicContact CE2-CD1 4.28Å; Y253-L290 HydrophobicContact CE2-CD2 4.31Å; Y253-L290 HydrophobicContact CE2-CG 4.19Å; Y253-L290 WeakPolarHBondContact OH-CD1 3.47Å; Y253-T367 HydrophobicContact CD2-CG2 3.8Å; Y253-T367 HydrophobicContact CE2-CG2 3.77Å; Y253-T367 CarbonylContact O-C 3.53Å; Y253-T367 WeakPolarHBondContact O-CA 3.31Å; Y253-L383 HydrophobicContact CD1-CD2 4.37Å | ||
| 254 | I | 90.9 | Very high | 88 | Confident | 9 Ų | 9 | 37 Ų | 37 | 5% | 0.046 | 19% | 0.188 | C | C | . | . | trans | -79.8 | 126.9 | 170.8 | -59.7 | 172 | 0 | 0 | 0 | 110.2 | E232 R256 F261 A286 A289 | E232-I254 WeakPolarHBondContact OE1-CD1 3.48Å; E232-I254 PolarHBondContact OE2-N 2.81Å; I254-R256 HydrophobicContact CB-CG 4.43Å; I254-R256 HydrophobicContact CG2-CG 3.75Å; I254-R256 PolarHBondContact O-N 3.41Å; I254-F261 HydrophobicContact CG2-CD2 3.76Å; I254-F261 HydrophobicContact CG2-CE2 3.56Å; I254-A286 HydrophobicContact CD1-CB 3.9Å; I254-A289 HydrophobicContact CD1-CB 4.01Å; I254-A289 HydrophobicContact CG1-CB 4.09Å | ||
| 255 | N | 85.4 | Confident | 89.5 | Confident | 65 Ų | 65 | 38.1 Ų | 38.1 | 35% | 0.348 | 19% | 0.192 | S | C | . | . | trans | -87.9 | 83.6 | 171.3 | -173.7 | -16.6 | 0 | 0 | 0 | 110.8 | Q257 S258 F261 L366 | N255-Q257 PolarHBondContact O-N 3.37Å; N255-Q257 PolarHBondContact OD1-N 3.31Å; N255-Q257 PolarHBondContact OD1-OE1 3.41Å; N255-S258 PolarHBondContact O-N 2.74Å; N255-S258 PolarHBondContact O-OG 3.35Å; N255-S258 PolarHBondContact OD1-N 3.48Å; N255-S258 VanDerWaalsContact OD1-N 3.09Å; N255-F261 WeakPolarHBondContact O-CB 3.45Å; N255-L366 PolarHBondContact N-O 3.28Å | ||
| 256 | R | 88.1 | Confident | 90.5 | Very high | 50 Ų | 50 | 44.4 Ų | 44.4 | 19% | 0.189 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.5 | -20.5 | -179 | -65.2 | -176.8 | 175.4 | 74.4 | 7.3 | 113.5 | E232 I254 S258 F261 | E232-R256 IonicContact OE1-CZ 2.71Å; E232-R256 VanDerWaalsContact OE1-CZ 3.26Å; E232-R256 IonicContact OE1-NH1 3.95Å; E232-R256 PolarHBondContact OE1-NH1 2.65Å; E232-R256 IonicContact OE1-NH2 3.6Å; E232-R256 PolarHBondContact OE1-NH2 2.65Å; I254-R256 HydrophobicContact CB-CG 4.43Å; I254-R256 HydrophobicContact CG2-CG 3.75Å; I254-R256 PolarHBondContact O-N 3.41Å; R256-S258 VanDerWaalsContact C-N 3.32Å; R256-F261 HydrophobicContact CB-CD1 4.4Å; R256-F261 HydrophobicContact CB-CE1 4.25Å; R256-F261 HydrophobicContact CB-CZ 4.4Å; R256-F261 HydrophobicContact CG-CE1 4.22Å; R256-F261 HydrophobicContact CG-CE2 4.05Å; R256-F261 HydrophobicContact CG-CZ 3.88Å; R256-F261 WeakPolarHBondContact O-CD1 3.36Å |
| 257 | Q | 85.3 | Confident | 90.9 | Very high | 145 Ų | 145 | 45.2 Ų | 45.2 | 68% | 0.678 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.7 | -11.2 | 179.2 | -60.2 | 78.5 | 8.8 | 0 | 0 | 112.6 | N255 | N255-Q257 PolarHBondContact O-N 3.37Å; N255-Q257 PolarHBondContact OD1-N 3.31Å; N255-Q257 PolarHBondContact OD1-OE1 3.41Å |
| 258 | S | 89.8 | Confident | 90.9 | Very high | 29 Ų | 29 | 43.1 Ų | 43.1 | 20% | 0.203 | 22% | 0.217 | C | C | . | . | S | Bend | trans | -70.6 | 140.7 | 179.9 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | N255 R256 F260 F261 G262 | N255-S258 PolarHBondContact O-N 2.74Å; N255-S258 PolarHBondContact O-OG 3.35Å; N255-S258 PolarHBondContact OD1-N 3.48Å; N255-S258 VanDerWaalsContact OD1-N 3.09Å; R256-S258 VanDerWaalsContact C-N 3.32Å; S258-F260 PolarHBondContact O-N 2.97Å; S258-F261 WeakPolarHBondContact O-CB 3.45Å; S258-F261 PolarHBondContact O-N 2.57Å; S258-F261 VanDerWaalsContact O-N 3.11Å; S258-F261 VanDerWaalsContact OG-CB 3.29Å; S258-F261 WeakPolarHBondContact OG-CB 3.48Å; S258-F261 PolarHBondContact OG-N 3.22Å; S258-F261 VanDerWaalsContact OG-N 3.17Å; S258-G262 PolarHBondContact O-N 2.82Å |
| 259 | K | 91.8 | Very high | 90.7 | Very high | 169 Ų | 169 | 44.7 Ų | 44.7 | 74% | 0.735 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -55.7 | -38.3 | 172.2 | -175.6 | -179.5 | 177 | -178.2 | 0 | 111.9 | F261 G262 D263 | K259-F261 VanDerWaalsContact C-N 3.33Å; K259-F261 PolarHBondContact O-N 3.22Å; K259-G262 PolarHBondContact O-N 3.39Å; K259-D263 PolarHBondContact O-N 2.76Å |
| 260 | F | 93.1 | Very high | 90.3 | Very high | 73 Ų | 73 | 49 Ų | 49 | 32% | 0.32 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59.5 | -41.4 | 177.8 | -176.6 | -112.4 | 0 | 0 | 0 | 112.4 | S258 D263 V264 F292 L296 L366 | S258-F260 PolarHBondContact O-N 2.97Å; F260-D263 PolarHBondContact O-N 2.89Å; F260-V264 HydrophobicContact CD1-CG2 4.46Å; F260-V264 HydrophobicContact CD2-CG2 4.38Å; F260-V264 HydrophobicContact CE1-CG2 4.14Å; F260-V264 HydrophobicContact CE2-CG2 4.07Å; F260-V264 HydrophobicContact CZ-CG2 3.95Å; F260-V264 WeakPolarHBondContact O-CB 3.29Å; F260-V264 VanDerWaalsContact O-CG2 3.27Å; F260-V264 WeakPolarHBondContact O-CG2 3.44Å; F260-V264 PolarHBondContact O-N 2.75Å; F260-F292 HydrophobicContact CE1-CE1 4.19Å; F260-F292 AromaticContact CZ-CE1 3.92Å; F260-F292 HydrophobicContact CZ-CE1 3.92Å; F260-F292 HydrophobicContact CZ-CZ 4.48Å; F260-L296 HydrophobicContact CZ-CD2 4.34Å; F260-L366 HydrophobicContact CD1-CD2 3.86Å; F260-L366 HydrophobicContact CE1-CD2 3.91Å; F260-L366 HydrophobicContact CE1-CG 4.15Å |
| 261 | F | 93 | Very high | 89.8 | Confident | 12 Ų | 12 | 51 Ų | 51 | 5% | 0.053 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 174.3 | -179.4 | -87.6 | 0 | 0 | 0 | 111.5 | I254 N255 R256 S258 K259 D263 V264 L265 I284 L366 | I254-F261 HydrophobicContact CG2-CD2 3.76Å; I254-F261 HydrophobicContact CG2-CE2 3.56Å; N255-F261 WeakPolarHBondContact O-CB 3.45Å; R256-F261 HydrophobicContact CB-CD1 4.4Å; R256-F261 HydrophobicContact CB-CE1 4.25Å; R256-F261 HydrophobicContact CB-CZ 4.4Å; R256-F261 HydrophobicContact CG-CE1 4.22Å; R256-F261 HydrophobicContact CG-CE2 4.05Å; R256-F261 HydrophobicContact CG-CZ 3.88Å; R256-F261 WeakPolarHBondContact O-CD1 3.36Å; S258-F261 WeakPolarHBondContact O-CB 3.45Å; S258-F261 PolarHBondContact O-N 2.57Å; S258-F261 VanDerWaalsContact O-N 3.11Å; S258-F261 VanDerWaalsContact OG-CB 3.29Å; S258-F261 WeakPolarHBondContact OG-CB 3.48Å; S258-F261 PolarHBondContact OG-N 3.22Å; S258-F261 VanDerWaalsContact OG-N 3.17Å; K259-F261 VanDerWaalsContact C-N 3.33Å; K259-F261 PolarHBondContact O-N 3.22Å; F261-D263 PolarHBondContact O-N 3.42Å; F261-V264 PolarHBondContact O-N 3.2Å; F261-L265 HydrophobicContact CE1-CD2 4.11Å; F261-L265 WeakPolarHBondContact O-CB 3.29Å; F261-L265 PolarHBondContact O-N 2.95Å; F261-I284 HydrophobicContact CD2-CD1 4.23Å; F261-I284 HydrophobicContact CE2-CB 3.76Å; F261-I284 HydrophobicContact CE2-CD1 3.94Å; F261-I284 HydrophobicContact CE2-CG1 4.19Å; F261-I284 HydrophobicContact CZ-CB 3.98Å; F261-I284 HydrophobicContact CZ-CD1 4.27Å; F261-I284 HydrophobicContact CZ-CG1 4.24Å; F261-L366 HydrophobicContact CB-CD2 4.28Å; F261-L366 HydrophobicContact CD2-CD2 4.05Å |
| 262 | G | 91.7 | Very high | 89.2 | Confident | 36 Ų | 36 | 50.6 Ų | 50.6 | 37% | 0.371 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60 | -42.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | S258 K259 K266 | S258-G262 PolarHBondContact O-N 2.82Å; K259-G262 PolarHBondContact O-N 3.39Å; G262-K266 VanDerWaalsContact O-CB 3.31Å; G262-K266 WeakPolarHBondContact O-CB 3.36Å; G262-K266 PolarHBondContact O-N 2.69Å |
| 263 | D | 92 | Very high | 88.7 | Confident | 89 Ų | 89 | 53.8 Ų | 53.8 | 48% | 0.476 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65 | -42 | 177.6 | -69.5 | -25.2 | 0 | 0 | 0 | 111.7 | K259 F260 F261 G267 | K259-D263 PolarHBondContact O-N 2.76Å; F260-D263 PolarHBondContact O-N 2.89Å; F261-D263 PolarHBondContact O-N 3.42Å; D263-G267 PolarHBondContact O-N 3.07Å |
| 264 | V | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66.8 | -46.7 | 177.3 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | Y28 F260 F261 G267 W268 I284 F292 L366 | Y28-V264 HydrophobicContact CE1-CG1 4.19Å; F260-V264 HydrophobicContact CD1-CG2 4.46Å; F260-V264 HydrophobicContact CD2-CG2 4.38Å; F260-V264 HydrophobicContact CE1-CG2 4.14Å; F260-V264 HydrophobicContact CE2-CG2 4.07Å; F260-V264 HydrophobicContact CZ-CG2 3.95Å; F260-V264 WeakPolarHBondContact O-CB 3.29Å; F260-V264 VanDerWaalsContact O-CG2 3.27Å; F260-V264 WeakPolarHBondContact O-CG2 3.44Å; F260-V264 PolarHBondContact O-N 2.75Å; F261-V264 PolarHBondContact O-N 3.2Å; V264-G267 PolarHBondContact O-N 3.25Å; V264-W268 VanDerWaalsContact O-CB 3.29Å; V264-W268 WeakPolarHBondContact O-CB 3.39Å; V264-W268 PolarHBondContact O-N 2.87Å; V264-I284 HydrophobicContact CB-CD1 4.35Å; V264-I284 HydrophobicContact CG1-CD1 3.84Å; V264-F292 HydrophobicContact CG1-CD2 4.27Å; V264-F292 HydrophobicContact CG1-CE1 4.44Å; V264-F292 HydrophobicContact CG1-CE2 3.98Å; V264-F292 HydrophobicContact CG1-CZ 4.09Å; V264-F292 HydrophobicContact CG2-CE1 4.11Å; V264-F292 HydrophobicContact CG2-CZ 3.86Å; V264-L366 HydrophobicContact CB-CD2 4.06Å; V264-L366 HydrophobicContact CG1-CD1 4.08Å; V264-L366 HydrophobicContact CG1-CD2 4.26Å; V264-L366 HydrophobicContact CG2-CD2 4.11Å |
| 265 | L | 92.2 | Very high | 87.4 | Confident | 33 Ų | 33 | 66.6 Ų | 66.6 | 17% | 0.173 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -60.4 | -46.9 | 178.5 | 175 | 62 | 0 | 0 | 0 | 111.2 | F261 G267 W268 N269 I284 | F261-L265 HydrophobicContact CE1-CD2 4.11Å; F261-L265 WeakPolarHBondContact O-CB 3.29Å; F261-L265 PolarHBondContact O-N 2.95Å; L265-G267 PolarHBondContact O-N 3.39Å; L265-W268 PolarHBondContact O-N 3.29Å; L265-N269 VanDerWaalsContact O-CB 3.27Å; L265-N269 WeakPolarHBondContact O-CB 3.4Å; L265-N269 PolarHBondContact O-N 2.96Å; L265-I284 HydrophobicContact CB-CD1 4Å; L265-I284 HydrophobicContact CB-CG1 4.32Å; L265-I284 HydrophobicContact CD1-CG1 4.01Å |
| 266 | K | 90.5 | Very high | 86.9 | Confident | 138 Ų | 138 | 66.8 Ų | 66.8 | 60% | 0.6 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61 | -46.8 | 178.3 | -175.7 | 178.5 | 179.2 | 179.9 | 0 | 111.7 | G262 Q270 | G262-K266 VanDerWaalsContact O-CB 3.31Å; G262-K266 WeakPolarHBondContact O-CB 3.36Å; G262-K266 PolarHBondContact O-N 2.69Å; K266-Q270 WeakPolarHBondContact O-CG 3.23Å; K266-Q270 PolarHBondContact O-N 3.46Å; K266-Q270 VanDerWaalsContact O-N 3.13Å |
| 267 | G | 89.2 | Confident | 86 | Confident | 18 Ų | 18 | 72.2 Ų | 72.2 | 19% | 0.186 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -66.2 | -39.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y28 D263 V264 L265 F271 | Y28-G267 WeakPolarHBondContact OH-CA 3.46Å; D263-G267 PolarHBondContact O-N 3.07Å; V264-G267 PolarHBondContact O-N 3.25Å; L265-G267 PolarHBondContact O-N 3.39Å; G267-F271 WeakPolarHBondContact O-CB 3.25Å; G267-F271 PolarHBondContact O-N 3.5Å |
| 268 | W | 89.9 | Confident | 85 | Confident | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.008 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 178 | -178 | 35.4 | 0 | 0 | 0 | 111.6 | S24 I25 Y28 V264 L265 Q270 F271 D272 V281 I284 E288 | S24-W268 PolarHBondContact OG-NE1 3.31Å; I25-W268 HydrophobicContact CB-CH2 4.48Å; I25-W268 HydrophobicContact CB-CZ2 3.92Å; I25-W268 HydrophobicContact CD1-CB 4.25Å; I25-W268 HydrophobicContact CD1-CD2 3.39Å; I25-W268 HydrophobicContact CD1-CE3 3.74Å; I25-W268 HydrophobicContact CD1-CG 3.62Å; I25-W268 HydrophobicContact CD1-CZ2 4.24Å; I25-W268 HydrophobicContact CD1-CZ3 4.29Å; Y28-W268 HydrophobicContact CD1-CB 3.82Å; Y28-W268 AromaticContact CD1-CD1 3.96Å; Y28-W268 HydrophobicContact CD1-CG 4.05Å; Y28-W268 HydrophobicContact CE1-CB 3.77Å; Y28-W268 HydrophobicContact CE1-CG 4.48Å; Y28-W268 HydrophobicContact CG-CB 4.2Å; Y28-W268 AromaticContact CG-CD1 3.75Å; Y28-W268 HydrophobicContact CG-CG 4.25Å; Y28-W268 PolarHBondContact OH-N 3.15Å; V264-W268 VanDerWaalsContact O-CB 3.29Å; V264-W268 WeakPolarHBondContact O-CB 3.39Å; V264-W268 PolarHBondContact O-N 2.87Å; L265-W268 PolarHBondContact O-N 3.29Å; W268-Q270 VanDerWaalsContact C-N 3.34Å; W268-Q270 PolarHBondContact O-N 3.26Å; W268-F271 CarbonylContact O-C 3.58Å; W268-F271 WeakPolarHBondContact O-CB 3.44Å; W268-F271 PolarHBondContact O-N 3.25Å; W268-F271 VanDerWaalsContact O-N 3.08Å; W268-D272 WeakPolarHBondContact O-CB 2.97Å; W268-D272 PolarHBondContact O-N 2.88Å; W268-V281 HydrophobicContact CE3-CG1 4.43Å; W268-V281 HydrophobicContact CH2-CG1 4.2Å; W268-V281 HydrophobicContact CZ3-CG1 3.83Å; W268-I284 HydrophobicContact CE3-CG1 3.86Å; W268-I284 HydrophobicContact CZ3-CB 4.47Å; W268-I284 HydrophobicContact CZ3-CG1 3.95Å; W268-E288 HydrophobicContact CH2-CG 4.16Å; W268-E288 VanDerWaalsContact CH2-OE2 3.26Å; W268-E288 WeakPolarHBondContact CH2-OE2 3.39Å; W268-E288 WeakPolarHBondContact CZ3-OE2 3.36Å |
| 269 | N | 88 | Confident | 83.7 | Confident | 34 Ų | 34 | 75.1 Ų | 75.1 | 18% | 0.182 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -61 | -42.2 | 177.7 | -167.5 | 18.3 | 0 | 0 | 0 | 111.7 | L265 F271 D272 Q273 A280 V281 | L265-N269 VanDerWaalsContact O-CB 3.27Å; L265-N269 WeakPolarHBondContact O-CB 3.4Å; L265-N269 PolarHBondContact O-N 2.96Å; N269-F271 VanDerWaalsContact C-N 3.32Å; N269-F271 PolarHBondContact O-N 3.38Å; N269-D272 PolarHBondContact O-N 3.06Å; N269-Q273 WeakPolarHBondContact O-CB 3.35Å; N269-Q273 VanDerWaalsContact O-CG 3.24Å; N269-Q273 WeakPolarHBondContact O-CG 3.36Å; N269-Q273 PolarHBondContact O-N 2.96Å; N269-Q273 PolarHBondContact OD1-NE2 3.09Å; N269-A280 WeakPolarHBondContact OD1-CA 3.47Å; N269-V281 PolarHBondContact OD1-N 3.24Å; N269-V281 VanDerWaalsContact OD1-N 3.13Å |
| 270 | Q | 85.8 | Confident | 82.3 | Confident | 90 Ų | 90 | 69.5 Ų | 69.5 | 42% | 0.421 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 173.5 | -73.5 | 179.9 | -1.3 | 0 | 0 | 112.8 | K266 W268 R274 | K266-Q270 WeakPolarHBondContact O-CG 3.23Å; K266-Q270 PolarHBondContact O-N 3.46Å; K266-Q270 VanDerWaalsContact O-N 3.13Å; W268-Q270 VanDerWaalsContact C-N 3.34Å; W268-Q270 PolarHBondContact O-N 3.26Å; Q270-R274 WeakPolarHBondContact O-CD 3.34Å; Q270-R274 VanDerWaalsContact O-CG 3.24Å; Q270-R274 WeakPolarHBondContact O-CG 3.3Å; Q270-R274 PolarHBondContact O-N 3.11Å |
| 271 | F | 85 | Confident | 81.1 | Confident | 42 Ų | 42 | 67.6 Ų | 67.6 | 18% | 0.184 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -68.8 | -47.4 | 176.8 | 175.7 | -94 | 0 | 0 | 0 | 111.8 | T27 Y28 M31 G267 W268 N269 R274 L275 F276 | T27-F271 HydrophobicContact CG2-CE1 4.43Å; T27-F271 HydrophobicContact CG2-CZ 4.05Å; Y28-F271 HydrophobicContact CD2-CB 3.68Å; Y28-F271 HydrophobicContact CD2-CD1 4.01Å; Y28-F271 HydrophobicContact CD2-CD2 4.24Å; Y28-F271 AromaticContact CD2-CG 3.72Å; Y28-F271 HydrophobicContact CD2-CG 3.72Å; Y28-F271 HydrophobicContact CE2-CB 4.16Å; Y28-F271 HydrophobicContact CG-CD1 4.3Å; Y28-F271 HydrophobicContact CG-CG 4.46Å; M31-F271 HydrophobicContact CB-CE2 4.12Å; M31-F271 HydrophobicContact CB-CZ 4.49Å; M31-F271 HydrophobicContact CG-CE2 3.98Å; M31-F271 HydrophobicContact CG-CZ 4.07Å; G267-F271 WeakPolarHBondContact O-CB 3.25Å; G267-F271 PolarHBondContact O-N 3.5Å; W268-F271 CarbonylContact O-C 3.58Å; W268-F271 WeakPolarHBondContact O-CB 3.44Å; W268-F271 PolarHBondContact O-N 3.25Å; W268-F271 VanDerWaalsContact O-N 3.08Å; N269-F271 VanDerWaalsContact C-N 3.32Å; N269-F271 PolarHBondContact O-N 3.38Å; F271-R274 PolarHBondContact O-N 3.12Å; F271-L275 HydrophobicContact CE1-CD2 3.73Å; F271-L275 HydrophobicContact CE2-CD2 4.09Å; F271-L275 HydrophobicContact CZ-CD2 3.35Å; F271-L275 WeakPolarHBondContact O-CB 3.25Å; F271-L275 PolarHBondContact O-N 2.59Å; F271-F276 HydrophobicContact CE1-CE2 4.26Å |
| 272 | D | 79.3 | Confident | 80.2 | Confident | 4 Ų | 4 | 74 Ų | 74 | 2% | 0.021 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -64.5 | -41.7 | -177 | -160.5 | 57.9 | 0 | 0 | 0 | 111.6 | S24 W268 N269 R274 F276 H277 R278 | S24-D272 WeakPolarHBondContact CB-OD1 3.08Å; S24-D272 PolarHBondContact OG-OD1 3.13Å; W268-D272 WeakPolarHBondContact O-CB 2.97Å; W268-D272 PolarHBondContact O-N 2.88Å; N269-D272 PolarHBondContact O-N 3.06Å; D272-R274 VanDerWaalsContact C-N 3.34Å; D272-R274 PolarHBondContact O-N 2.83Å; D272-F276 WeakPolarHBondContact O-CA 3.34Å; D272-F276 PolarHBondContact O-N 3.43Å; D272-F276 WeakPolarHBondContact OD1-CD2 3.47Å; D272-H277 PolarHBondContact O-N 2.85Å; D272-R278 WeakPolarHBondContact OD2-CB 3.45Å |
| 273 | Q | 80 | Confident | 79.8 | Confident | 83 Ų | 83 | 74.1 Ų | 74.1 | 39% | 0.388 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 173.6 | -74.6 | 176.9 | 2.1 | 0 | 0 | 113 | N269 H277 | N269-Q273 WeakPolarHBondContact O-CB 3.35Å; N269-Q273 VanDerWaalsContact O-CG 3.24Å; N269-Q273 WeakPolarHBondContact O-CG 3.36Å; N269-Q273 PolarHBondContact O-N 2.96Å; N269-Q273 PolarHBondContact OD1-NE2 3.09Å; Q273-H277 WeakPolarHBondContact O-CA 3.25Å; Q273-H277 PolarHBondContact O-N 2.75Å; Q273-H277 PolarHBondContact O-ND1 2.91Å |
| 274 | R | 78.9 | Confident | 79.7 | Confident | 195 Ų | 195 | 69.9 Ų | 69.9 | 74% | 0.736 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -75.5 | -40.4 | -179.1 | -75.5 | 176.6 | -174.9 | 172.2 | 3.2 | 112.7 | Q270 F271 D272 | Q270-R274 WeakPolarHBondContact O-CD 3.34Å; Q270-R274 VanDerWaalsContact O-CG 3.24Å; Q270-R274 WeakPolarHBondContact O-CG 3.3Å; Q270-R274 PolarHBondContact O-N 3.11Å; F271-R274 PolarHBondContact O-N 3.12Å; D272-R274 VanDerWaalsContact C-N 3.34Å; D272-R274 PolarHBondContact O-N 2.83Å |
| 275 | L | 75.1 | Confident | 79.4 | Confident | 92 Ų | 92 | 70.4 Ų | 70.4 | 48% | 0.482 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -92.6 | -39.7 | -171.4 | -170.4 | 66 | 0 | 0 | 0 | 113 | F271 | F271-L275 HydrophobicContact CE1-CD2 3.73Å; F271-L275 HydrophobicContact CE2-CD2 4.09Å; F271-L275 HydrophobicContact CZ-CD2 3.35Å; F271-L275 WeakPolarHBondContact O-CB 3.25Å; F271-L275 PolarHBondContact O-N 2.59Å |
| 276 | F | 73.8 | Confident | 79.3 | Confident | 68 Ų | 68 | 69.3 Ų | 69.3 | 30% | 0.298 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -3.1 | -174.7 | -59.7 | -73.9 | 0 | 0 | 0 | 113.6 | F271 D272 R278 | F271-F276 HydrophobicContact CE1-CE2 4.26Å; D272-F276 WeakPolarHBondContact O-CA 3.34Å; D272-F276 PolarHBondContact O-N 3.43Å; D272-F276 WeakPolarHBondContact OD1-CD2 3.47Å; F276-R278 HydrophobicContact CB-CG 3.93Å; F276-R278 PolarHBondContact O-N 3.44Å; F276-R278 VanDerWaalsContact O-N 3.14Å |
| 277 | H | 68.6 | Low | 79.2 | Confident | 165 Ų | 165 | 64.1 Ų | 64.1 | 76% | 0.764 | 32% | 0.32 | S | S | * | . | trans | 52.8 | 31.6 | -178.8 | -58.2 | -57.2 | 0 | 0 | 0 | 114.1 | D272 Q273 | D272-H277 PolarHBondContact O-N 2.85Å; Q273-H277 WeakPolarHBondContact O-CA 3.25Å; Q273-H277 PolarHBondContact O-N 2.75Å; Q273-H277 PolarHBondContact O-ND1 2.91Å | ||
| 278 | R | 65.5 | Low | 79.2 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 26% | 0.264 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -85.1 | 158.6 | -178.3 | -70.5 | 178.7 | 180 | 159.1 | 0.6 | 112.4 | D20 D272 F276 | D20-R278 VanDerWaalsContact C-NH1 3.34Å; D20-R278 VanDerWaalsContact CB-CZ 3.42Å; D20-R278 VanDerWaalsContact CG-CZ 3.5Å; D20-R278 PolarHBondContact O-NH1 3.07Å; D20-R278 IonicContact OD1-CZ 2.89Å; D20-R278 IonicContact OD1-NH2 3.88Å; D20-R278 PolarHBondContact OD1-NH2 2.82Å; D20-R278 IonicContact OD2-CZ 2.82Å; D20-R278 IonicContact OD2-NE 3.69Å; D20-R278 IonicContact OD2-NH2 3.78Å; D20-R278 PolarHBondContact OD2-NH2 3.25Å; D272-R278 WeakPolarHBondContact OD2-CB 3.45Å; F276-R278 HydrophobicContact CB-CG 3.93Å; F276-R278 PolarHBondContact O-N 3.44Å; F276-R278 VanDerWaalsContact O-N 3.14Å |
| 279 | L | 62.1 | Low | 79.4 | Confident | 164 Ų | 164 | 63.6 Ų | 63.6 | 86% | 0.859 | 31% | 0.313 | S | S | * | . | P | Polyproline II helix | trans | -56.9 | 149.3 | 172.2 | -74.1 | 164.8 | 0 | 0 | 0 | 110.5 | V281 | L279-V281 PolarHBondContact O-N 2.63Å; L279-V281 VanDerWaalsContact O-N 3.17Å |
| 280 | A | 62.8 | Low | 79.6 | Confident | 51 Ų | 51 | 62 Ų | 62 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -53.1 | 122.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N269 N282 | N269-A280 WeakPolarHBondContact OD1-CA 3.47Å; A280-N282 PolarHBondContact O-N 2.81Å; A280-N282 PolarHBondContact O-OD1 3.22Å |
| 281 | V | 67.4 | Low | 80 | Confident | 33 Ų | 33 | 57.8 Ų | 57.8 | 20% | 0.2 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -78.6 | 119.8 | 176.9 | -176.6 | 0 | 0 | 0 | 0 | 108.5 | W268 N269 L279 T283 | W268-V281 HydrophobicContact CE3-CG1 4.43Å; W268-V281 HydrophobicContact CH2-CG1 4.2Å; W268-V281 HydrophobicContact CZ3-CG1 3.83Å; N269-V281 PolarHBondContact OD1-N 3.24Å; N269-V281 VanDerWaalsContact OD1-N 3.13Å; L279-V281 PolarHBondContact O-N 2.63Å; L279-V281 VanDerWaalsContact O-N 3.17Å; V281-T283 VanDerWaalsContact CG1-O 3.23Å; V281-T283 WeakPolarHBondContact CG1-O 3.49Å |
| 282 | N | 74.4 | Confident | 80.4 | Confident | 147 Ų | 147 | 56.2 Ų | 56.2 | 79% | 0.786 | 28% | 0.278 | S | S | * | . | trans | -85.2 | -17.8 | -175 | -69.1 | -13.9 | 0 | 0 | 0 | 113.9 | A280 | A280-N282 PolarHBondContact O-N 2.81Å; A280-N282 PolarHBondContact O-OD1 3.22Å | ||
| 283 | T | 84.2 | Confident | 81.2 | Confident | 39 Ų | 39 | 56 Ų | 56 | 24% | 0.239 | 28% | 0.277 | C | S | . | . | trans | -158.2 | 156.5 | -178.5 | -175.9 | 0 | 0 | 0 | 0 | 111.3 | V281 | V281-T283 VanDerWaalsContact CG1-O 3.23Å; V281-T283 WeakPolarHBondContact CG1-O 3.49Å | ||
| 284 | I | 88.2 | Confident | 81.9 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 26% | 0.258 | C | S | . | . | trans | -90.6 | 137.7 | 167.3 | -56.2 | 165.2 | 0 | 0 | 0 | 108.7 | F261 V264 L265 W268 E288 A289 L366 | F261-I284 HydrophobicContact CD2-CD1 4.23Å; F261-I284 HydrophobicContact CE2-CB 3.76Å; F261-I284 HydrophobicContact CE2-CD1 3.94Å; F261-I284 HydrophobicContact CE2-CG1 4.19Å; F261-I284 HydrophobicContact CZ-CB 3.98Å; F261-I284 HydrophobicContact CZ-CD1 4.27Å; F261-I284 HydrophobicContact CZ-CG1 4.24Å; V264-I284 HydrophobicContact CB-CD1 4.35Å; V264-I284 HydrophobicContact CG1-CD1 3.84Å; L265-I284 HydrophobicContact CB-CD1 4Å; L265-I284 HydrophobicContact CB-CG1 4.32Å; L265-I284 HydrophobicContact CD1-CG1 4.01Å; W268-I284 HydrophobicContact CE3-CG1 3.86Å; W268-I284 HydrophobicContact CZ3-CB 4.47Å; W268-I284 HydrophobicContact CZ3-CG1 3.95Å; I284-E288 WeakPolarHBondContact CA-OE2 3.41Å; I284-E288 HydrophobicContact CG2-CB 3.73Å; I284-A289 HydrophobicContact CG2-CB 4.1Å; I284-L366 HydrophobicContact CD1-CD1 4.17Å; I284-L366 HydrophobicContact CG2-CD1 4.42Å | ||
| 285 | T | 87.2 | Confident | 82.7 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 6% | 0.061 | 22% | 0.224 | C | C | . | . | trans | -87.5 | 165.4 | 179.2 | 78.4 | 0 | 0 | 0 | 0 | 110.9 | E287 E288 A289 | T285-E287 PolarHBondContact O-N 3.12Å; T285-E288 VanDerWaalsContact CG2-CD 3.49Å; T285-E288 HydrophobicContact CG2-CG 4.44Å; T285-E288 VanDerWaalsContact CG2-OE2 3.28Å; T285-E288 WeakPolarHBondContact CG2-OE2 3.43Å; T285-E288 PolarHBondContact N-OE2 3.26Å; T285-E288 PolarHBondContact O-N 3.34Å; T285-E288 WeakPolarHBondContact OG1-CB 3.23Å; T285-E288 WeakPolarHBondContact OG1-CG 3.41Å; T285-E288 PolarHBondContact OG1-N 2.91Å; T285-E288 PolarHBondContact OG1-OE2 2.88Å; T285-A289 VanDerWaalsContact O-CB 3.29Å; T285-A289 WeakPolarHBondContact O-CB 3.42Å; T285-A289 PolarHBondContact O-N 2.91Å | ||
| 286 | A | 89 | Confident | 83.6 | Confident | 10 Ų | 10 | 40.2 Ų | 40.2 | 8% | 0.083 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -64.8 | -40.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | E232 Y253 I254 A289 L290 | E232-A286 HydrophobicContact CB-CB 3.76Å; E232-A286 HydrophobicContact CG-CB 4.35Å; Y253-A286 HydrophobicContact CE2-CB 4.13Å; Y253-A286 WeakPolarHBondContact OH-CB 3.46Å; I254-A286 HydrophobicContact CD1-CB 3.9Å; A286-A289 PolarHBondContact O-N 3.29Å; A286-L290 VanDerWaalsContact O-CG 3.28Å; A286-L290 WeakPolarHBondContact O-CG 3.3Å; A286-L290 PolarHBondContact O-N 2.94Å |
| 287 | E | 88.2 | Confident | 84.7 | Confident | 29 Ų | 29 | 37 Ų | 37 | 14% | 0.136 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -67.8 | -42.2 | 175.9 | -63.4 | -178 | 177.3 | 0 | 0 | 111.5 | L22 L103 Q231 T285 A289 L290 V291 | L22-E287 HydrophobicContact CD2-CB 3.79Å; L103-E287 HydrophobicContact CD2-CG 4.2Å; L103-E287 WeakPolarHBondContact CD2-OE1 3.22Å; Q231-E287 PolarHBondContact NE2-OE1 2.93Å; T285-E287 PolarHBondContact O-N 3.12Å; E287-A289 VanDerWaalsContact C-N 3.31Å; E287-A289 PolarHBondContact O-N 3.42Å; E287-L290 PolarHBondContact O-N 3.43Å; E287-V291 WeakPolarHBondContact O-CG2 3.41Å; E287-V291 PolarHBondContact O-N 3.09Å |
| 288 | E | 90.2 | Very high | 85.9 | Confident | 10 Ų | 10 | 29.1 Ų | 29.1 | 5% | 0.047 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.6 | -40.9 | 175 | -70.8 | 161 | -175.2 | 0 | 0 | 111.9 | L22 I25 W268 I284 T285 V291 F292 | L22-E288 HydrophobicContact CD2-CB 4.4Å; L22-E288 HydrophobicContact CD2-CG 3.77Å; I25-E288 HydrophobicContact CB-CB 4.43Å; I25-E288 HydrophobicContact CG1-CB 4.45Å; I25-E288 HydrophobicContact CG2-CB 4.01Å; I25-E288 HydrophobicContact CG2-CG 4.1Å; W268-E288 HydrophobicContact CH2-CG 4.16Å; W268-E288 VanDerWaalsContact CH2-OE2 3.26Å; W268-E288 WeakPolarHBondContact CH2-OE2 3.39Å; W268-E288 WeakPolarHBondContact CZ3-OE2 3.36Å; I284-E288 WeakPolarHBondContact CA-OE2 3.41Å; I284-E288 HydrophobicContact CG2-CB 3.73Å; T285-E288 VanDerWaalsContact CG2-CD 3.49Å; T285-E288 HydrophobicContact CG2-CG 4.44Å; T285-E288 VanDerWaalsContact CG2-OE2 3.28Å; T285-E288 WeakPolarHBondContact CG2-OE2 3.43Å; T285-E288 PolarHBondContact N-OE2 3.26Å; T285-E288 PolarHBondContact O-N 3.34Å; T285-E288 WeakPolarHBondContact OG1-CB 3.23Å; T285-E288 WeakPolarHBondContact OG1-CG 3.41Å; T285-E288 PolarHBondContact OG1-N 2.91Å; T285-E288 PolarHBondContact OG1-OE2 2.88Å; E288-V291 PolarHBondContact O-N 3.29Å; E288-F292 WeakPolarHBondContact O-CB 3.39Å; E288-F292 PolarHBondContact O-N 2.7Å |
| 289 | A | 93.2 | Very high | 87.2 | Confident | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -41 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | I254 I284 T285 A286 E287 F292 D293 L366 T367 | I254-A289 HydrophobicContact CD1-CB 4.01Å; I254-A289 HydrophobicContact CG1-CB 4.09Å; I284-A289 HydrophobicContact CG2-CB 4.1Å; T285-A289 VanDerWaalsContact O-CB 3.29Å; T285-A289 WeakPolarHBondContact O-CB 3.42Å; T285-A289 PolarHBondContact O-N 2.91Å; A286-A289 PolarHBondContact O-N 3.29Å; E287-A289 VanDerWaalsContact C-N 3.31Å; E287-A289 PolarHBondContact O-N 3.42Å; A289-F292 PolarHBondContact O-N 3.34Å; A289-D293 WeakPolarHBondContact O-CB 3.28Å; A289-D293 PolarHBondContact O-N 2.94Å; A289-L366 HydrophobicContact CB-CB 3.83Å; A289-L366 HydrophobicContact CB-CD1 4.1Å; A289-T367 HydrophobicContact CB-CG2 3.72Å |
| 290 | L | 93.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.9 | -40.4 | 175.8 | -71.2 | 168.7 | 0 | 0 | 0 | 112.2 | W102 M118 K119 Y253 A286 E287 D293 S294 T367 | W102-L290 HydrophobicContact CB-CB 3.88Å; W102-L290 HydrophobicContact CB-CD1 4.45Å; W102-L290 VanDerWaalsContact O-CD1 3.29Å; W102-L290 WeakPolarHBondContact O-CD1 3.48Å; M118-L290 HydrophobicContact CB-CD2 4.03Å; M118-L290 VanDerWaalsContact O-CD2 3.3Å; M118-L290 WeakPolarHBondContact O-CD2 3.37Å; K119-L290 HydrophobicContact CB-CD1 4.35Å; Y253-L290 HydrophobicContact CE2-CD1 4.28Å; Y253-L290 HydrophobicContact CE2-CD2 4.31Å; Y253-L290 HydrophobicContact CE2-CG 4.19Å; Y253-L290 WeakPolarHBondContact OH-CD1 3.47Å; A286-L290 VanDerWaalsContact O-CG 3.28Å; A286-L290 WeakPolarHBondContact O-CG 3.3Å; A286-L290 PolarHBondContact O-N 2.94Å; E287-L290 PolarHBondContact O-N 3.43Å; L290-D293 PolarHBondContact O-N 3.32Å; L290-S294 WeakPolarHBondContact O-CB 3.32Å; L290-S294 PolarHBondContact O-N 3.25Å; L290-S294 PolarHBondContact O-OG 3.46Å; L290-T367 HydrophobicContact CD2-CG2 3.81Å; L290-T367 HydrophobicContact CG-CG2 4.01Å |
| 291 | V | 93.1 | Very high | 90.2 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62 | -45.5 | 174.3 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | L22 I25 L26 W102 E287 E288 S294 M295 | L22-V291 HydrophobicContact CD2-CG2 4.12Å; I25-V291 HydrophobicContact CG2-CB 4.18Å; I25-V291 HydrophobicContact CG2-CG1 3.98Å; L26-V291 HydrophobicContact CB-CG1 3.99Å; L26-V291 HydrophobicContact CD1-CG1 3.94Å; W102-V291 HydrophobicContact CD2-CG2 3.78Å; W102-V291 HydrophobicContact CE3-CG2 3.95Å; W102-V291 HydrophobicContact CG-CG2 4.33Å; W102-V291 HydrophobicContact CH2-CG2 4.01Å; W102-V291 HydrophobicContact CZ2-CG2 3.86Å; W102-V291 HydrophobicContact CZ3-CG2 4.02Å; E287-V291 WeakPolarHBondContact O-CG2 3.41Å; E287-V291 PolarHBondContact O-N 3.09Å; E288-V291 PolarHBondContact O-N 3.29Å; V291-S294 WeakPolarHBondContact O-CB 3.27Å; V291-S294 PolarHBondContact O-N 3.48Å; V291-M295 PolarHBondContact O-N 2.89Å |
| 292 | F | 94.8 | Very high | 91.3 | Very high | 9 Ų | 9 | 18.1 Ų | 18.1 | 4% | 0.039 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -60.6 | -46.9 | 176.7 | -176.6 | -88.6 | 0 | 0 | 0 | 111.7 | I25 Y28 A29 K32 F260 V264 E288 A289 S294 M295 L296 L366 | I25-F292 HydrophobicContact CD1-CD2 4.23Å; I25-F292 HydrophobicContact CG1-CB 4.08Å; I25-F292 HydrophobicContact CG1-CD2 4.27Å; Y28-F292 HydrophobicContact CD1-CD2 4.48Å; Y28-F292 HydrophobicContact CD1-CE2 4.24Å; Y28-F292 HydrophobicContact CE1-CE2 4.02Å; A29-F292 HydrophobicContact CB-CD2 3.87Å; A29-F292 HydrophobicContact CB-CE2 4.15Å; K32-F292 HydrophobicContact CD-CE2 4.29Å; K32-F292 HydrophobicContact CD-CZ 4.29Å; F260-F292 HydrophobicContact CE1-CE1 4.19Å; F260-F292 AromaticContact CZ-CE1 3.92Å; F260-F292 HydrophobicContact CZ-CE1 3.92Å; F260-F292 HydrophobicContact CZ-CZ 4.48Å; V264-F292 HydrophobicContact CG1-CD2 4.27Å; V264-F292 HydrophobicContact CG1-CE1 4.44Å; V264-F292 HydrophobicContact CG1-CE2 3.98Å; V264-F292 HydrophobicContact CG1-CZ 4.09Å; V264-F292 HydrophobicContact CG2-CE1 4.11Å; V264-F292 HydrophobicContact CG2-CZ 3.86Å; E288-F292 WeakPolarHBondContact O-CB 3.39Å; E288-F292 PolarHBondContact O-N 2.7Å; A289-F292 PolarHBondContact O-N 3.34Å; F292-S294 VanDerWaalsContact C-N 3.3Å; F292-S294 PolarHBondContact O-N 2.95Å; F292-M295 PolarHBondContact O-N 2.9Å; F292-L296 HydrophobicContact CE1-CD2 4.49Å; F292-L296 PolarHBondContact O-N 2.71Å; F292-L366 HydrophobicContact CB-CD1 3.86Å; F292-L366 HydrophobicContact CD1-CD1 3.52Å; F292-L366 HydrophobicContact CD1-CG 3.86Å; F292-L366 HydrophobicContact CE1-CD1 4.27Å; F292-L366 HydrophobicContact CE1-CG 4.33Å; F292-L366 HydrophobicContact CG-CD1 3.76Å |
| 293 | D | 95.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -66.8 | -31.7 | 177.9 | -74.1 | -14.8 | 0 | 0 | 0 | 112.1 | M118 A289 L290 L296 L297 F363 G365 L366 T367 | M118-D293 HydrophobicContact CE-CB 3.69Å; A289-D293 WeakPolarHBondContact O-CB 3.28Å; A289-D293 PolarHBondContact O-N 2.94Å; L290-D293 PolarHBondContact O-N 3.32Å; D293-L296 PolarHBondContact O-N 3.26Å; D293-L297 WeakPolarHBondContact O-CB 3.43Å; D293-L297 PolarHBondContact O-N 2.88Å; D293-F363 HydrophobicContact CB-CE2 4.38Å; D293-F363 HydrophobicContact CB-CZ 4.48Å; D293-F363 WeakPolarHBondContact O-CZ 3.19Å; D293-G365 VanDerWaalsContact OD1-CA 3.24Å; D293-G365 WeakPolarHBondContact OD1-CA 3.34Å; D293-L366 PolarHBondContact OD1-N 3.19Å; D293-L366 PolarHBondContact OD2-N 3.19Å; D293-L366 VanDerWaalsContact OD2-N 3.08Å; D293-T367 WeakPolarHBondContact OD2-CB 3.17Å; D293-T367 WeakPolarHBondContact OD2-CG2 3.38Å; D293-T367 PolarHBondContact OD2-N 3.48Å; D293-T367 PolarHBondContact OD2-OG1 3.41Å |
| 294 | S | 95.3 | Very high | 92.3 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -44.6 | 173.7 | -57.5 | 0 | 0 | 0 | 0 | 110.9 | M118 L290 V291 F292 L296 L297 V298 | M118-S294 WeakPolarHBondContact CG-OG 3.42Å; L290-S294 WeakPolarHBondContact O-CB 3.32Å; L290-S294 PolarHBondContact O-N 3.25Å; L290-S294 PolarHBondContact O-OG 3.46Å; V291-S294 WeakPolarHBondContact O-CB 3.27Å; V291-S294 PolarHBondContact O-N 3.48Å; F292-S294 VanDerWaalsContact C-N 3.3Å; F292-S294 PolarHBondContact O-N 2.95Å; S294-L296 VanDerWaalsContact C-N 3.33Å; S294-L296 PolarHBondContact O-N 3.41Å; S294-L297 WeakPolarHBondContact O-CB 3.41Å; S294-L297 PolarHBondContact O-N 3.26Å; S294-V298 WeakPolarHBondContact O-CG2 3.43Å; S294-V298 PolarHBondContact O-N 2.76Å |
| 295 | M | 95 | Very high | 92.4 | Very high | 2 Ų | 2 | 13.5 Ų | 13.5 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -65.1 | -38.2 | 175.1 | -72.2 | -61.6 | -68.5 | 0 | 0 | 112.1 | I10 L26 A29 T30 L44 T46 L77 V291 F292 V298 T299 | I10-M295 HydrophobicContact CD1-CE 3.91Å; I10-M295 HydrophobicContact CD1-SD 4.08Å; L26-M295 HydrophobicContact CD1-CE 4.39Å; L26-M295 HydrophobicContact CD1-CG 3.62Å; L26-M295 HydrophobicContact CD1-SD 3.54Å; L26-M295 VanDerWaalsContact CD1-SD 3.54Å; A29-M295 HydrophobicContact CB-CB 3.76Å; A29-M295 HydrophobicContact CB-CG 4Å; T30-M295 WeakPolarHBondContact OG1-CE 3.25Å; L44-M295 HydrophobicContact CD1-CE 3.6Å; T46-M295 HydrophobicContact CG2-CE 3.76Å; T46-M295 HydrophobicContact CG2-SD 4.36Å; L77-M295 HydrophobicContact CD1-CG 4.36Å; L77-M295 HydrophobicContact CD1-SD 3.41Å; L77-M295 WeakPolarHBondContact CD1-SD 3.45Å; V291-M295 PolarHBondContact O-N 2.89Å; F292-M295 PolarHBondContact O-N 2.9Å; M295-V298 PolarHBondContact O-N 3.49Å; M295-T299 WeakPolarHBondContact O-CB 3.21Å; M295-T299 PolarHBondContact O-N 3.43Å; M295-T299 PolarHBondContact O-OG1 3.25Å |
| 296 | L | 94.5 | Very high | 92.3 | Very high | 37 Ų | 37 | 13.6 Ų | 13.6 | 19% | 0.194 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -66 | -38.3 | 175.6 | -174 | 56.2 | 0 | 0 | 0 | 112 | F260 F292 D293 S294 T299 K300 F363 | F260-L296 HydrophobicContact CZ-CD2 4.34Å; F292-L296 HydrophobicContact CE1-CD2 4.49Å; F292-L296 PolarHBondContact O-N 2.71Å; D293-L296 PolarHBondContact O-N 3.26Å; S294-L296 VanDerWaalsContact C-N 3.33Å; S294-L296 PolarHBondContact O-N 3.41Å; L296-T299 PolarHBondContact O-N 3.34Å; L296-K300 HydrophobicContact CD1-CD 4.5Å; L296-K300 HydrophobicContact CD1-CG 4.44Å; L296-K300 HydrophobicContact CG-CD 4.49Å; L296-K300 WeakPolarHBondContact O-CB 3.43Å; L296-K300 WeakPolarHBondContact O-CG 3.34Å; L296-K300 PolarHBondContact O-N 3.16Å; L296-F363 HydrophobicContact CB-CE2 4.09Å; L296-F363 HydrophobicContact CB-CZ 4.28Å; L296-F363 HydrophobicContact CD2-CD2 3.68Å; L296-F363 HydrophobicContact CD2-CE2 3.57Å; L296-F363 HydrophobicContact CG-CD2 4.08Å; L296-F363 HydrophobicContact CG-CE2 3.81Å; L296-F363 HydrophobicContact CG-CZ 4.29Å |
| 297 | L | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -60.3 | -50 | 173.2 | 173.4 | 63.5 | 0 | 0 | 0 | 111.1 | I100 L116 M118 D293 S294 T299 K300 A301 L358 I361 F363 F372 | I100-L297 HydrophobicContact CD1-CD2 4.15Å; L116-L297 HydrophobicContact CD1-CD2 4.17Å; M118-L297 HydrophobicContact SD-CD2 3.8Å; D293-L297 WeakPolarHBondContact O-CB 3.43Å; D293-L297 PolarHBondContact O-N 2.88Å; S294-L297 WeakPolarHBondContact O-CB 3.41Å; S294-L297 PolarHBondContact O-N 3.26Å; L297-T299 VanDerWaalsContact C-N 3.35Å; L297-T299 PolarHBondContact O-N 2.81Å; L297-K300 PolarHBondContact O-N 2.82Å; L297-A301 WeakPolarHBondContact O-CB 3.27Å; L297-A301 PolarHBondContact O-N 3.07Å; L297-L358 HydrophobicContact CD1-CD2 4.45Å; L297-L358 WeakPolarHBondContact CD1-O 3.12Å; L297-L358 HydrophobicContact CD2-CD2 4.46Å; L297-L358 HydrophobicContact CG-CD2 3.93Å; L297-I361 HydrophobicContact CD1-CB 3.79Å; L297-I361 HydrophobicContact CD1-CG2 3.73Å; L297-F363 HydrophobicContact CB-CE1 3.82Å; L297-F363 HydrophobicContact CB-CZ 3.97Å; L297-F363 HydrophobicContact CD1-CE1 3.95Å; L297-F363 HydrophobicContact CG-CE1 4.49Å; L297-F372 HydrophobicContact CD1-CE2 4.06Å; L297-F372 HydrophobicContact CD2-CE2 3.65Å; L297-F372 HydrophobicContact CD2-CZ 3.72Å |
| 298 | V | 94.9 | Very high | 91.8 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.3 | -47.5 | 177.5 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | V8 I10 T75 L77 I100 S294 M295 K300 A301 F302 L358 | V8-V298 HydrophobicContact CG1-CG1 4.38Å; I10-V298 HydrophobicContact CD1-CB 4.43Å; I10-V298 HydrophobicContact CD1-CG1 3.63Å; I10-V298 HydrophobicContact CG1-CG1 4.13Å; T75-V298 HydrophobicContact CG2-CG1 4.12Å; T75-V298 HydrophobicContact CG2-CG2 3.99Å; L77-V298 HydrophobicContact CD2-CG2 4.29Å; I100-V298 HydrophobicContact CD1-CG2 3.52Å; S294-V298 WeakPolarHBondContact O-CG2 3.43Å; S294-V298 PolarHBondContact O-N 2.76Å; M295-V298 PolarHBondContact O-N 3.49Å; V298-K300 PolarHBondContact O-N 2.79Å; V298-A301 PolarHBondContact O-N 2.95Å; V298-F302 HydrophobicContact CG1-CD2 3.68Å; V298-F302 HydrophobicContact CG1-CE2 3.91Å; V298-F302 WeakPolarHBondContact O-CD2 3.49Å; V298-F302 PolarHBondContact O-N 3.04Å; V298-L358 HydrophobicContact CG2-CD2 4.31Å |
| 299 | T | 92.9 | Very high | 91.2 | Very high | 12 Ų | 12 | 30.6 Ų | 30.6 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -53.3 | -55.1 | 177.6 | -57.8 | 0 | 0 | 0 | 0 | 111.3 | N33 I42 L44 M295 L296 L297 A301 F302 E303 | N33-T299 WeakPolarHBondContact OD1-CG2 3.34Å; I42-T299 HydrophobicContact CD1-CG2 4.21Å; I42-T299 WeakPolarHBondContact CD1-O 3.46Å; L44-T299 WeakPolarHBondContact CD1-OG1 3.44Å; M295-T299 WeakPolarHBondContact O-CB 3.21Å; M295-T299 PolarHBondContact O-N 3.43Å; M295-T299 PolarHBondContact O-OG1 3.25Å; L296-T299 PolarHBondContact O-N 3.34Å; L297-T299 VanDerWaalsContact C-N 3.35Å; L297-T299 PolarHBondContact O-N 2.81Å; T299-A301 VanDerWaalsContact C-N 3.33Å; T299-A301 PolarHBondContact O-N 3.07Å; T299-F302 PolarHBondContact O-N 3.22Å; T299-E303 WeakPolarHBondContact O-CG 3.35Å; T299-E303 PolarHBondContact O-N 3.06Å |
| 300 | K | 93.1 | Very high | 90 | Very high | 74 Ų | 74 | 33.2 Ų | 33.2 | 32% | 0.322 | 17% | 0.169 | S | C | . | . | H | α-helix | trans | -64 | -36.8 | -178.1 | -74 | -175.5 | 174 | -161.6 | 0 | 113 | L296 L297 V298 A304 I361 F363 | L296-K300 HydrophobicContact CD1-CD 4.5Å; L296-K300 HydrophobicContact CD1-CG 4.44Å; L296-K300 HydrophobicContact CG-CD 4.49Å; L296-K300 WeakPolarHBondContact O-CB 3.43Å; L296-K300 WeakPolarHBondContact O-CG 3.34Å; L296-K300 PolarHBondContact O-N 3.16Å; L297-K300 PolarHBondContact O-N 2.82Å; V298-K300 PolarHBondContact O-N 2.79Å; K300-A304 WeakPolarHBondContact O-CB 3.5Å; K300-A304 PolarHBondContact O-N 3.22Å; K300-A304 VanDerWaalsContact O-N 3.09Å; K300-I361 HydrophobicContact CB-CD1 4.32Å; K300-I361 HydrophobicContact CB-CG2 3.86Å; K300-I361 HydrophobicContact CD-CG2 4.31Å; K300-F363 HydrophobicContact CD-CB 4.01Å; K300-F363 HydrophobicContact CD-CD1 4.07Å; K300-F363 HydrophobicContact CD-CG 4.04Å |
| 301 | A | 93.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -48.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.3 | L297 V298 T299 E303 A304 I305 T357 L358 I361 | L297-A301 WeakPolarHBondContact O-CB 3.27Å; L297-A301 PolarHBondContact O-N 3.07Å; V298-A301 PolarHBondContact O-N 2.95Å; T299-A301 VanDerWaalsContact C-N 3.33Å; T299-A301 PolarHBondContact O-N 3.07Å; A301-E303 VanDerWaalsContact C-N 3.35Å; A301-E303 PolarHBondContact O-N 3.43Å; A301-A304 WeakPolarHBondContact O-CB 3.29Å; A301-A304 PolarHBondContact O-N 2.65Å; A301-A304 VanDerWaalsContact O-N 3.1Å; A301-I305 WeakPolarHBondContact O-CG1 3.29Å; A301-I305 PolarHBondContact O-N 2.94Å; A301-T357 HydrophobicContact CB-CG2 4.23Å; A301-L358 HydrophobicContact CB-CB 4.48Å; A301-L358 HydrophobicContact CB-CD2 3.41Å; A301-L358 VanDerWaalsContact CB-CD2 3.41Å; A301-L358 HydrophobicContact CB-CG 3.85Å; A301-I361 HydrophobicContact CB-CG1 4.01Å |
| 302 | F | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -69.3 | -31.1 | -180 | -83.2 | -86 | 0 | 0 | 0 | 113.1 | F6 V8 I42 F74 V298 T299 A304 I305 A306 L313 I354 | F6-F302 AromaticContact CE1-CD1 3.96Å; F6-F302 HydrophobicContact CE1-CD1 3.96Å; F6-F302 HydrophobicContact CE1-CE1 4.33Å; V8-F302 HydrophobicContact CG1-CD1 3.93Å; V8-F302 HydrophobicContact CG1-CD2 3.69Å; V8-F302 HydrophobicContact CG1-CE1 3.99Å; V8-F302 HydrophobicContact CG1-CE2 3.77Å; V8-F302 HydrophobicContact CG1-CG 3.78Å; V8-F302 HydrophobicContact CG1-CZ 3.93Å; V8-F302 HydrophobicContact CG2-CB 4.05Å; V8-F302 HydrophobicContact CG2-CD1 3.89Å; V8-F302 HydrophobicContact CG2-CG 3.92Å; I42-F302 HydrophobicContact CD1-CB 3.74Å; I42-F302 HydrophobicContact CG2-CB 4.36Å; F74-F302 HydrophobicContact CB-CE1 4.15Å; F74-F302 HydrophobicContact CB-CE2 4.49Å; F74-F302 HydrophobicContact CB-CZ 3.57Å; F74-F302 AromaticContact CD2-CE1 4Å; F74-F302 HydrophobicContact CD2-CE1 4Å; F74-F302 HydrophobicContact CD2-CZ 4.22Å; F74-F302 HydrophobicContact CG-CE1 4.11Å; F74-F302 HydrophobicContact CG-CZ 4.03Å; V298-F302 HydrophobicContact CG1-CD2 3.68Å; V298-F302 HydrophobicContact CG1-CE2 3.91Å; V298-F302 WeakPolarHBondContact O-CD2 3.49Å; V298-F302 PolarHBondContact O-N 3.04Å; T299-F302 PolarHBondContact O-N 3.22Å; F302-A304 VanDerWaalsContact C-N 3.33Å; F302-I305 HydrophobicContact CD1-CD1 4.39Å; F302-I305 HydrophobicContact CE1-CD1 4.45Å; F302-I305 PolarHBondContact O-N 3.39Å; F302-A306 WeakPolarHBondContact O-CB 3.27Å; F302-A306 PolarHBondContact O-N 3.02Å; F302-L313 HydrophobicContact CD1-CD1 4.14Å; F302-L313 HydrophobicContact CD1-CD2 4.42Å; F302-L313 HydrophobicContact CE1-CD2 4.07Å; F302-I354 HydrophobicContact CE1-CD1 4.38Å; F302-I354 HydrophobicContact CE1-CG1 4.44Å; F302-I354 HydrophobicContact CE2-CG2 3.95Å; F302-I354 HydrophobicContact CZ-CD1 4.12Å; F302-I354 HydrophobicContact CZ-CG1 4.22Å; F302-I354 HydrophobicContact CZ-CG2 3.69Å |
| 303 | E | 89.6 | Confident | 86.6 | Confident | 59 Ų | 59 | 40.2 Ų | 40.2 | 28% | 0.276 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -62 | -40.8 | 168.1 | -74.6 | 179.8 | 169.2 | 0 | 0 | 112 | I42 T299 A301 K307 | I42-E303 HydrophobicContact CD1-CG 3.9Å; I42-E303 HydrophobicContact CG1-CG 4.17Å; T299-E303 WeakPolarHBondContact O-CG 3.35Å; T299-E303 PolarHBondContact O-N 3.06Å; A301-E303 VanDerWaalsContact C-N 3.35Å; A301-E303 PolarHBondContact O-N 3.43Å; E303-K307 VanDerWaalsContact O-CG 3.26Å; E303-K307 WeakPolarHBondContact O-CG 3.3Å; E303-K307 PolarHBondContact O-N 2.91Å; E303-K307 VanDerWaalsContact O-N 3.08Å |
| 304 | A | 89.9 | Confident | 85.3 | Confident | 27 Ų | 27 | 43.2 Ų | 43.2 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67.9 | -39.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | K300 A301 F302 K308 T357 I361 | K300-A304 WeakPolarHBondContact O-CB 3.5Å; K300-A304 PolarHBondContact O-N 3.22Å; K300-A304 VanDerWaalsContact O-N 3.09Å; A301-A304 WeakPolarHBondContact O-CB 3.29Å; A301-A304 PolarHBondContact O-N 2.65Å; A301-A304 VanDerWaalsContact O-N 3.1Å; F302-A304 VanDerWaalsContact C-N 3.33Å; A304-K308 PolarHBondContact O-N 3.46Å; A304-T357 HydrophobicContact CB-CG2 4.17Å; A304-I361 HydrophobicContact CB-CD1 4.24Å |
| 305 | I | 89.3 | Confident | 84.2 | Confident | 4 Ų | 4 | 51.8 Ų | 51.8 | 2% | 0.021 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -67.2 | -45.4 | 175.1 | -58.9 | 167.9 | 0 | 0 | 0 | 110 | A301 F302 K307 K308 N309 L313 I354 T357 | A301-I305 WeakPolarHBondContact O-CG1 3.29Å; A301-I305 PolarHBondContact O-N 2.94Å; F302-I305 HydrophobicContact CD1-CD1 4.39Å; F302-I305 HydrophobicContact CE1-CD1 4.45Å; F302-I305 PolarHBondContact O-N 3.39Å; I305-K307 VanDerWaalsContact C-N 3.26Å; I305-K307 PolarHBondContact O-N 3.31Å; I305-K308 PolarHBondContact O-N 3.48Å; I305-K308 VanDerWaalsContact O-N 3.12Å; I305-N309 HydrophobicContact CG2-CB 4.25Å; I305-N309 CarbonylContact O-C 3.52Å; I305-N309 WeakPolarHBondContact O-CA 3.49Å; I305-N309 PolarHBondContact O-N 2.84Å; I305-L313 HydrophobicContact CB-CD1 3.9Å; I305-L313 HydrophobicContact CG2-CD1 3.37Å; I305-L313 HydrophobicContact CG2-CD2 4.2Å; I305-L313 HydrophobicContact CG2-CG 3.73Å; I305-I354 HydrophobicContact CD1-CB 4.3Å; I305-I354 HydrophobicContact CD1-CG1 3.91Å; I305-I354 HydrophobicContact CD1-CG2 4.37Å; I305-T357 HydrophobicContact CD1-CG2 4.3Å; I305-T357 HydrophobicContact CG1-CG2 3.77Å |
| 306 | A | 84.8 | Confident | 83.2 | Confident | 12 Ų | 12 | 52.3 Ų | 52.3 | 10% | 0.099 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -61.2 | -35.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | V41 I42 F302 A310 | V41-A306 HydrophobicContact CG1-CB 3.61Å; I42-A306 HydrophobicContact CG2-CB 4.19Å; F302-A306 WeakPolarHBondContact O-CB 3.27Å; F302-A306 PolarHBondContact O-N 3.02Å; A306-A310 WeakPolarHBondContact O-CB 3.43Å |
| 307 | K | 83.9 | Confident | 82 | Confident | 165 Ų | 165 | 52.3 Ų | 52.3 | 72% | 0.717 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -68.6 | -35.4 | 174.7 | -74.5 | 171.2 | -175.8 | 173.4 | 0 | 113.7 | E303 I305 | E303-K307 VanDerWaalsContact O-CG 3.26Å; E303-K307 WeakPolarHBondContact O-CG 3.3Å; E303-K307 PolarHBondContact O-N 2.91Å; E303-K307 VanDerWaalsContact O-N 3.08Å; I305-K307 VanDerWaalsContact C-N 3.26Å; I305-K307 PolarHBondContact O-N 3.31Å |
| 308 | K | 83.7 | Confident | 80.5 | Confident | 179 Ų | 179 | 56.9 Ų | 56.9 | 78% | 0.778 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -95.4 | -42 | -174.7 | -70.1 | -175.7 | 177.1 | -177 | 0 | 113.7 | A304 I305 | A304-K308 PolarHBondContact O-N 3.46Å; I305-K308 PolarHBondContact O-N 3.48Å; I305-K308 VanDerWaalsContact O-N 3.12Å |
| 309 | N | 76.7 | Confident | 79 | Confident | 61 Ų | 61 | 65.6 Ų | 65.6 | 33% | 0.326 | 32% | 0.323 | S | S | . | . | trans | -131.4 | 48.5 | -168.6 | -69.2 | -8.8 | 0 | 0 | 0 | 111.3 | I305 T311 L312 L353 | I305-N309 HydrophobicContact CG2-CB 4.25Å; I305-N309 CarbonylContact O-C 3.52Å; I305-N309 WeakPolarHBondContact O-CA 3.49Å; I305-N309 PolarHBondContact O-N 2.84Å; N309-T311 PolarHBondContact O-N 3.4Å; N309-L312 HydrophobicContact CB-CB 4.09Å; N309-L312 WeakPolarHBondContact O-CB 3.27Å; N309-L312 PolarHBondContact O-N 3.25Å; N309-L312 VanDerWaalsContact O-N 3.14Å; N309-L353 VanDerWaalsContact ND2-CD2 3.34Å; N309-L353 WeakPolarHBondContact ND2-CD2 3.28Å | ||
| 310 | A | 69.2 | Low | 77.8 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 46% | 0.463 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -51.3 | -42.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | A306 L312 L313 T314 | A306-A310 WeakPolarHBondContact O-CB 3.43Å; A310-L312 PolarHBondContact O-N 3.4Å; A310-L313 PolarHBondContact O-N 2.91Å; A310-T314 PolarHBondContact O-N 3.27Å; A310-T314 PolarHBondContact O-OG1 3.03Å |
| 311 | T | 70.3 | Confident | 76.8 | Confident | 99 Ų | 99 | 71.4 Ų | 71.4 | 61% | 0.607 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.1 | -27.6 | -176.6 | 54.1 | 0 | 0 | 0 | 0 | 114.1 | N309 L313 T314 R315 | N309-T311 PolarHBondContact O-N 3.4Å; T311-L313 VanDerWaalsContact C-N 3.34Å; T311-T314 PolarHBondContact O-OG1 3.01Å; T311-R315 WeakPolarHBondContact O-CG 3.48Å |
| 312 | L | 70.4 | Confident | 76.2 | Confident | 56 Ų | 56 | 71.8 Ų | 71.8 | 29% | 0.293 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -69.4 | -37.4 | -179.7 | -179.2 | 128.5 | 0 | 0 | 0 | 111 | N309 A310 H316 P350 L353 | N309-L312 HydrophobicContact CB-CB 4.09Å; N309-L312 WeakPolarHBondContact O-CB 3.27Å; N309-L312 PolarHBondContact O-N 3.25Å; N309-L312 VanDerWaalsContact O-N 3.14Å; A310-L312 PolarHBondContact O-N 3.4Å; L312-H316 PolarHBondContact O-CE1 3.21Å; L312-H316 VanDerWaalsContact O-CE1 3.28Å; L312-H316 PolarHBondContact O-ND1 3.09Å; L312-P350 HydrophobicContact CD2-CB 3.73Å; L312-L353 HydrophobicContact CD1-CD2 4.18Å; L312-L353 HydrophobicContact CD2-CD2 3.59Å |
| 313 | L | 68 | Low | 75.6 | Confident | 2 Ų | 2 | 75.4 Ų | 75.4 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -78.6 | -41.8 | -178.4 | -76.4 | -178.4 | 0 | 0 | 0 | 112.2 | F6 F302 I305 A310 T311 R315 H316 | F6-L313 HydrophobicContact CD1-CD1 4.08Å; F6-L313 HydrophobicContact CD2-CB 4.1Å; F6-L313 HydrophobicContact CE1-CB 3.97Å; F6-L313 HydrophobicContact CE1-CD1 3.67Å; F6-L313 HydrophobicContact CE1-CD2 4.08Å; F6-L313 HydrophobicContact CE1-CG 4.12Å; F6-L313 HydrophobicContact CE2-CB 3.56Å; F6-L313 VanDerWaalsContact CE2-O 3.32Å; F6-L313 WeakPolarHBondContact CE2-O 3.49Å; F6-L313 HydrophobicContact CZ-CB 3.48Å; F6-L313 VanDerWaalsContact CZ-CB 3.48Å; F6-L313 HydrophobicContact CZ-CD1 4.04Å; F6-L313 HydrophobicContact CZ-CD2 3.83Å; F6-L313 HydrophobicContact CZ-CG 3.97Å; F302-L313 HydrophobicContact CD1-CD1 4.14Å; F302-L313 HydrophobicContact CD1-CD2 4.42Å; F302-L313 HydrophobicContact CE1-CD2 4.07Å; I305-L313 HydrophobicContact CB-CD1 3.9Å; I305-L313 HydrophobicContact CG2-CD1 3.37Å; I305-L313 HydrophobicContact CG2-CD2 4.2Å; I305-L313 HydrophobicContact CG2-CG 3.73Å; A310-L313 PolarHBondContact O-N 2.91Å; T311-L313 VanDerWaalsContact C-N 3.34Å; L313-R315 VanDerWaalsContact C-N 3.26Å; L313-R315 PolarHBondContact O-N 2.96Å; L313-H316 PolarHBondContact O-N 2.88Å |
| 314 | T | 69.4 | Low | 75.3 | Confident | 62 Ų | 62 | 72.7 Ų | 72.7 | 38% | 0.38 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65 | -26 | -179.5 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | A310 T311 H316 F317 | A310-T314 PolarHBondContact O-N 3.27Å; A310-T314 PolarHBondContact O-OG1 3.03Å; T311-T314 PolarHBondContact O-OG1 3.01Å; T314-H316 PolarHBondContact O-N 3.01Å; T314-F317 PolarHBondContact O-N 3.12Å |
| 315 | R | 70.6 | Confident | 74.7 | Confident | 181 Ų | 181 | 73.7 Ų | 73.7 | 68% | 0.683 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.6 | -21.1 | 176 | -77.3 | 176.9 | -176.1 | -173.7 | 1.1 | 114.1 | T311 L313 F317 H318 | T311-R315 WeakPolarHBondContact O-CG 3.48Å; L313-R315 VanDerWaalsContact C-N 3.26Å; L313-R315 PolarHBondContact O-N 2.96Å; R315-F317 VanDerWaalsContact C-N 3.33Å; R315-H318 PolarHBondContact O-CD2 3.5Å; R315-H318 PolarHBondContact O-NE2 3.45Å |
| 316 | H | 73.9 | Confident | 74.2 | Confident | 13 Ų | 13 | 80.1 Ų | 80.1 | 6% | 0.06 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | -2.3 | -177.4 | -65.3 | 78.9 | 0 | 0 | 0 | 112.9 | F74 L312 L313 T314 F322 W323 P350 | F74-H316 HydrophobicContact CE1-CB 4.17Å; F74-H316 HydrophobicContact CZ-CB 4.01Å; L312-H316 PolarHBondContact O-CE1 3.21Å; L312-H316 VanDerWaalsContact O-CE1 3.28Å; L312-H316 PolarHBondContact O-ND1 3.09Å; L313-H316 PolarHBondContact O-N 2.88Å; T314-H316 PolarHBondContact O-N 3.01Å; H316-F322 HydrophobicContact CB-CE2 4.46Å; H316-F322 CarbonylContact O-C 3.45Å; H316-F322 VanDerWaalsContact O-CA 3.32Å; H316-F322 WeakPolarHBondContact O-CA 3.38Å; H316-W323 VanDerWaalsContact CA-O 3.25Å; H316-W323 WeakPolarHBondContact CA-O 3.43Å; H316-W323 WeakPolarHBondContact CB-O 3.41Å; H316-W323 PolarHBondContact CD2-O 3.11Å; H316-W323 PolarHBondContact O-N 2.9Å; H316-P350 VanDerWaalsContact NE2-CD 3.26Å; H316-P350 WeakPolarHBondContact NE2-CD 3.49Å |
| 317 | F | 69.9 | Low | 74.1 | Confident | 36 Ų | 36 | 82 Ų | 82 | 16% | 0.158 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 109.1 | 178 | -89.7 | -79 | 0 | 0 | 0 | 110.8 | F6 R7 P9 F74 T314 R315 E321 F322 | F6-F317 HydrophobicContact CE2-CD2 4.26Å; R7-F317 HydrophobicContact CB-CE2 4.43Å; R7-F317 HydrophobicContact CB-CZ 4.31Å; R7-F317 WeakPolarHBondContact O-CE2 3.46Å; P9-F317 HydrophobicContact CG-CE2 3.94Å; P9-F317 HydrophobicContact CG-CZ 3.66Å; F74-F317 HydrophobicContact CE2-CD2 4.37Å; F74-F317 AromaticContact CE2-CE2 3.76Å; F74-F317 HydrophobicContact CE2-CE2 3.76Å; F74-F317 HydrophobicContact CZ-CD2 4.34Å; F74-F317 HydrophobicContact CZ-CE2 4.05Å; T314-F317 PolarHBondContact O-N 3.12Å; R315-F317 VanDerWaalsContact C-N 3.33Å; F317-E321 WeakPolarHBondContact CA-O 3.24Å; F317-F322 HydrophobicContact CE1-CB 4.41Å; F317-F322 AromaticContact CE2-CD2 3.87Å; F317-F322 HydrophobicContact CE2-CD2 3.87Å; F317-F322 HydrophobicContact CE2-CE2 4.47Å; F317-F322 AromaticContact CZ-CD2 3.94Å; F317-F322 HydrophobicContact CZ-CD2 3.94Å |
| 318 | H | 65.2 | Low | 74 | Confident | 96 Ų | 96 | 79.5 Ų | 79.5 | 44% | 0.444 | 38% | 0.38 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 128.2 | 174.8 | -70.9 | -66.4 | 0 | 0 | 0 | 109.2 | R315 E320 E321 | R315-H318 PolarHBondContact O-CD2 3.5Å; R315-H318 PolarHBondContact O-NE2 3.45Å; H318-E320 VanDerWaalsContact C-N 3.3Å; H318-E320 PolarHBondContact O-N 2.92Å; H318-E321 PolarHBondContact N-O 3.38Å; H318-E321 WeakPolarHBondContact O-CB 3.47Å; H318-E321 PolarHBondContact O-N 3.11Å |
| 319 | H | 63.7 | Low | 73.9 | Confident | 183 Ų | 183 | 71.1 Ų | 71.1 | 85% | 0.847 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.2 | 44.1 | 178.8 | -58.9 | 92.8 | 0 | 0 | 0 | 114.3 | E321 | H319-E321 PolarHBondContact O-N 3.43Š|
| 320 | E | 67.3 | Low | 74.4 | Confident | 144 Ų | 144 | 68.2 Ų | 68.2 | 67% | 0.673 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.4 | 5.6 | -176.3 | -47.4 | -161.4 | 122.6 | 0 | 0 | 115.8 | R7 H318 | R7-E320 IonicContact CZ-OE1 3.78Å; R7-E320 IonicContact NH1-OE1 3.6Å; R7-E320 PolarHBondContact NH1-OE1 3.11Å; R7-E320 IonicContact NH2-OE1 2.65Å; R7-E320 PolarHBondContact NH2-OE1 3.13Å; H318-E320 VanDerWaalsContact C-N 3.3Å; H318-E320 PolarHBondContact O-N 2.92Å |
| 321 | E | 72.5 | Confident | 75.3 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 30% | 0.299 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 146 | 178 | -56.4 | -169.6 | 152 | 0 | 0 | 111.6 | F317 H318 H319 R328 | F317-E321 WeakPolarHBondContact CA-O 3.24Å; H318-E321 PolarHBondContact N-O 3.38Å; H318-E321 WeakPolarHBondContact O-CB 3.47Å; H318-E321 PolarHBondContact O-N 3.11Å; H319-E321 PolarHBondContact O-N 3.43Å; E321-R328 VanDerWaalsContact CD-CZ 3.42Å; E321-R328 VanDerWaalsContact CD-NH2 3.32Å; E321-R328 IonicContact OE1-CZ 2.7Å; E321-R328 IonicContact OE1-NE 3.42Å; E321-R328 IonicContact OE1-NH1 2.77Å; E321-R328 IonicContact OE1-NH2 3.49Å; E321-R328 PolarHBondContact OE1-NH2 2.89Å; E321-R328 WeakPolarHBondContact OE2-CD 3.06Å; E321-R328 IonicContact OE2-CZ 3.52Å; E321-R328 IonicContact OE2-NE 3.28Å; E321-R328 PolarHBondContact OE2-NE 2.73Å; E321-R328 VanDerWaalsContact OE2-NE 3.13Å; E321-R328 IonicContact OE2-NH1 2.67Å; E321-R328 IonicContact OE2-NH2 2.77Å |
| 322 | F | 80.7 | Confident | 76.2 | Confident | 8 Ų | 8 | 62.5 Ų | 62.5 | 4% | 0.035 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 128.5 | 175.6 | -173.5 | -83.8 | 0 | 0 | 0 | 110.7 | P9 G72 F74 H316 F317 N324 G329 L348 | P9-F322 HydrophobicContact CG-CD2 4.27Å; P9-F322 HydrophobicContact CG-CE2 4.45Å; G72-F322 VanDerWaalsContact CA-CG 3.44Å; F74-F322 AromaticContact CD1-CE2 3.89Å; F74-F322 HydrophobicContact CD1-CE2 3.89Å; F74-F322 HydrophobicContact CD1-CZ 4.19Å; F74-F322 AromaticContact CE1-CE2 3.46Å; F74-F322 HydrophobicContact CE1-CE2 3.46Å; F74-F322 VanDerWaalsContact CE1-CE2 3.46Å; F74-F322 AromaticContact CE1-CZ 3.89Å; F74-F322 HydrophobicContact CE1-CZ 3.89Å; F74-F322 HydrophobicContact CE2-CE2 4.17Å; F74-F322 HydrophobicContact CG-CE2 4.39Å; F74-F322 HydrophobicContact CZ-CD2 4.38Å; F74-F322 AromaticContact CZ-CE2 3.61Å; F74-F322 HydrophobicContact CZ-CE2 3.61Å; F74-F322 HydrophobicContact CZ-CZ 4.45Å; H316-F322 HydrophobicContact CB-CE2 4.46Å; H316-F322 CarbonylContact O-C 3.45Å; H316-F322 VanDerWaalsContact O-CA 3.32Å; H316-F322 WeakPolarHBondContact O-CA 3.38Å; F317-F322 HydrophobicContact CE1-CB 4.41Å; F317-F322 AromaticContact CE2-CD2 3.87Å; F317-F322 HydrophobicContact CE2-CD2 3.87Å; F317-F322 HydrophobicContact CE2-CE2 4.47Å; F317-F322 AromaticContact CZ-CD2 3.94Å; F317-F322 HydrophobicContact CZ-CD2 3.94Å; F322-N324 HydrophobicContact CE1-CB 4.27Å; F322-G329 PolarHBondContact O-N 3Å; F322-L348 HydrophobicContact CE1-CD1 4.42Å; F322-L348 HydrophobicContact CZ-CD1 3.81Å |
| 323 | W | 79.4 | Confident | 77 | Confident | 76 Ų | 76 | 65 Ų | 65 | 29% | 0.288 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.7 | 178.1 | -70.5 | 79.1 | 0 | 0 | 0 | 110 | H316 R328 | H316-W323 VanDerWaalsContact CA-O 3.25Å; H316-W323 WeakPolarHBondContact CA-O 3.43Å; H316-W323 WeakPolarHBondContact CB-O 3.41Å; H316-W323 PolarHBondContact CD2-O 3.11Å; H316-W323 PolarHBondContact O-N 2.9Å; W323-R328 HydrophobicContact CD2-CB 4.41Å; W323-R328 HydrophobicContact CE3-CB 4.36Å; W323-R328 HydrophobicContact CH2-CB 4.19Å; W323-R328 HydrophobicContact CZ2-CB 4.22Å; W323-R328 HydrophobicContact CZ3-CB 4.26Å |
| 324 | N | 82.1 | Confident | 77.8 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.011 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 95.4 | 170.2 | -171.6 | 46 | 0 | 0 | 0 | 107.5 | F322 D326 Y327 S347 R349 | F322-N324 HydrophobicContact CE1-CB 4.27Å; N324-D326 PolarHBondContact O-N 2.84Å; N324-Y327 PolarHBondContact N-O 2.72Å; N324-Y327 PolarHBondContact O-N 2.85Å; N324-S347 PolarHBondContact ND2-O 2.87Å; N324-R349 PolarHBondContact OD1-N 3.2Å |
| 325 | D | 78.6 | Confident | 78.5 | Confident | 48 Ų | 48 | 72.9 Ų | 72.9 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57 | -120.6 | -167.1 | -55 | -48.2 | 0 | 0 | 0 | 111.9 | Y327 R349 | D325-Y327 VanDerWaalsContact C-N 3.31Å; D325-Y327 PolarHBondContact O-N 2.82Å; D325-R349 VanDerWaalsContact CG-NH1 3.31Å; D325-R349 VanDerWaalsContact CG-NH2 3.3Å; D325-R349 WeakPolarHBondContact OD1-CD 3.45Å; D325-R349 IonicContact OD1-CZ 2.71Å; D325-R349 IonicContact OD1-NE 2.65Å; D325-R349 PolarHBondContact OD1-NE 2.87Å; D325-R349 IonicContact OD1-NH1 3.31Å; D325-R349 PolarHBondContact OD1-NH1 2.75Å; D325-R349 IonicContact OD1-NH2 3.2Å; D325-R349 IonicContact OD2-CZ 3.51Å; D325-R349 IonicContact OD2-NE 4Å; D325-R349 PolarHBondContact OD2-NE 2.67Å; D325-R349 IonicContact OD2-NH1 3.17Å; D325-R349 PolarHBondContact OD2-NH1 2.77Å; D325-R349 IonicContact OD2-NH2 2.91Å; D325-R349 PolarHBondContact OD2-NH2 2.76Å |
| 326 | D | 77.6 | Confident | 79.1 | Confident | 140 Ų | 140 | 69.5 Ų | 69.5 | 75% | 0.749 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.3 | -3.3 | -175.7 | -55.4 | -50.7 | 0 | 0 | 0 | 113.3 | N324 | N324-D326 PolarHBondContact O-N 2.84Š|
| 327 | Y | 82.3 | Confident | 79.5 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 20% | 0.196 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 134.5 | -175.3 | -58.9 | -68.4 | 0 | 0 | 0 | 112.6 | N324 D325 R343 Q344 V346 | N324-Y327 PolarHBondContact N-O 2.72Å; N324-Y327 PolarHBondContact O-N 2.85Å; D325-Y327 VanDerWaalsContact C-N 3.31Å; D325-Y327 PolarHBondContact O-N 2.82Å; Y327-R343 HydrophobicContact CD1-CB 4.19Å; Y327-R343 HydrophobicContact CD1-CG 3.6Å; Y327-R343 HydrophobicContact CD2-CG 4.39Å; Y327-R343 HydrophobicContact CE1-CB 3.82Å; Y327-R343 HydrophobicContact CE1-CG 3.58Å; Y327-R343 HydrophobicContact CE2-CG 4.37Å; Y327-R343 HydrophobicContact CG-CG 4.02Å; Y327-Q344 PolarHBondContact OH-N 3.36Å; Y327-V346 HydrophobicContact CD2-CG2 4Å; Y327-V346 HydrophobicContact CE2-CG2 3.88Å |
| 328 | R | 82.4 | Confident | 80.1 | Confident | 113 Ų | 113 | 79.5 Ų | 79.5 | 43% | 0.426 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 132.8 | 172.4 | -174.2 | 179.6 | 174.7 | -168.9 | 5.6 | 111 | E321 W323 R343 | E321-R328 VanDerWaalsContact CD-CZ 3.42Å; E321-R328 VanDerWaalsContact CD-NH2 3.32Å; E321-R328 IonicContact OE1-CZ 2.7Å; E321-R328 IonicContact OE1-NE 3.42Å; E321-R328 IonicContact OE1-NH1 2.77Å; E321-R328 IonicContact OE1-NH2 3.49Å; E321-R328 PolarHBondContact OE1-NH2 2.89Å; E321-R328 WeakPolarHBondContact OE2-CD 3.06Å; E321-R328 IonicContact OE2-CZ 3.52Å; E321-R328 IonicContact OE2-NE 3.28Å; E321-R328 PolarHBondContact OE2-NE 2.73Å; E321-R328 VanDerWaalsContact OE2-NE 3.13Å; E321-R328 IonicContact OE2-NH1 2.67Å; E321-R328 IonicContact OE2-NH2 2.77Å; W323-R328 HydrophobicContact CD2-CB 4.41Å; W323-R328 HydrophobicContact CE3-CB 4.36Å; W323-R328 HydrophobicContact CH2-CB 4.19Å; W323-R328 HydrophobicContact CZ2-CB 4.22Å; W323-R328 HydrophobicContact CZ3-CB 4.26Å; R328-R343 PolarHBondContact O-NH1 2.84Å; R328-R343 PolarHBondContact O-NH2 3.33Å |
| 329 | G | 81.8 | Confident | 80.9 | Confident | 4 Ų | 4 | 81.8 Ų | 81.8 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 64.9 | -177.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K70 F322 R343 | K70-G329 WeakPolarHBondContact O-CA 3.44Å; F322-G329 PolarHBondContact O-N 3Å; G329-R343 PolarHBondContact O-NH2 3.46Å |
| 330 | L | 87.6 | Confident | 81.9 | Confident | 0 Ų | 0 | 76.4 Ų | 76.4 | 0% | 0 | 35% | 0.346 | C | S | . | . | trans | -121.3 | 96.5 | 177.1 | -175.1 | 67.9 | 0 | 0 | 0 | 110.4 | L69 K70 M95 V97 V346 L348 | L69-L330 CarbonylContact C-O 3.53Å; L69-L330 HydrophobicContact CB-CD2 4.49Å; L69-L330 WeakPolarHBondContact CB-O 3.34Å; L69-L330 HydrophobicContact CD2-CD2 4.2Å; L69-L330 WeakPolarHBondContact O-CB 3.33Å; L69-L330 PolarHBondContact O-N 2.86Å; L69-L330 VanDerWaalsContact O-O 3.07Å; K70-L330 WeakPolarHBondContact CA-O 3.41Å; K70-L330 PolarHBondContact N-O 3.26Å; K70-L330 VanDerWaalsContact N-O 3.17Å; M95-L330 HydrophobicContact CE-CD1 3.73Å; M95-L330 HydrophobicContact CE-CD2 3.92Å; M95-L330 HydrophobicContact CE-CG 3.47Å; M95-L330 VanDerWaalsContact CE-CG 3.47Å; V97-L330 HydrophobicContact CG2-CD2 3.4Å; V97-L330 VanDerWaalsContact CG2-CD2 3.4Å; L330-V346 VanDerWaalsContact CD1-O 3.3Å; L330-V346 WeakPolarHBondContact CD1-O 3.3Å; L330-L348 HydrophobicContact CD2-CB 4.15Å | ||
| 331 | L | 88 | Confident | 82.6 | Confident | 16 Ų | 16 | 74.8 Ų | 74.8 | 8% | 0.084 | 35% | 0.348 | C | S | . | . | trans | -88.8 | 126.1 | -177.7 | -66.6 | 177.3 | 0 | 0 | 0 | 112 | K70 F333 D337 R343 | K70-L331 HydrophobicContact CB-CD2 3.99Å; K70-L331 HydrophobicContact CD-CD2 4Å; K70-L331 HydrophobicContact CG-CD2 3.64Å; L331-F333 VanDerWaalsContact C-N 3.31Å; L331-D337 HydrophobicContact CD1-CB 3.68Å; L331-R343 VanDerWaalsContact CD1-NH1 3.25Å | ||
| 332 | C | 89.5 | Confident | 83.1 | Confident | 18 Ų | 18 | 80.4 Ų | 80.4 | 12% | 0.122 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -62.9 | -38.7 | 169 | -68.2 | 0 | 0 | 0 | 0 | 112.7 | C66 P334 | C66-C332 WeakPolarHBondContact CA-SG 3.49Å; C66-C332 HydrophobicContact CB-CB 3.71Å; C66-C332 WeakPolarHBondContact CB-SG 3.46Å; C66-C332 WeakPolarHBondContact SG-CB 3.33Å; C66-C332 CovalentContact SG-SG 2.02Å; C66-C332 PolarHBondContact SG-SG 3.44Å; C332-P334 WeakPolarHBondContact O-CD 3.18Å |
| 333 | F | 87.2 | Confident | 83.2 | Confident | 109 Ų | 109 | 81.1 Ų | 81.1 | 48% | 0.478 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -115.4 | 97.5 | 178.9 | -56.3 | -71.1 | 0 | 0 | 0 | 109 | L331 K335 E336 | L331-F333 VanDerWaalsContact C-N 3.31Å; F333-K335 PolarHBondContact O-N 2.88Å; F333-K335 VanDerWaalsContact O-N 3.08Å; F333-E336 HydrophobicContact CB-CG 3.91Å; F333-E336 WeakPolarHBondContact CD2-OE1 3.41Å; F333-E336 WeakPolarHBondContact O-CB 3.34Å; F333-E336 PolarHBondContact O-N 3.2Å |
| 334 | P | 84.4 | Confident | 83.5 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 16% | 0.156 | 40% | 0.395 | C | S | . | . | G | 310 helix | trans | -56.4 | -29.3 | -177.9 | -27.4 | 34.7 | 0 | 0 | 0 | 114.1 | C332 E336 D337 R343 F345 | C332-P334 WeakPolarHBondContact O-CD 3.18Å; P334-E336 PolarHBondContact O-N 2.73Å; P334-E336 VanDerWaalsContact O-N 3.15Å; P334-D337 WeakPolarHBondContact O-CB 3.48Å; P334-D337 PolarHBondContact O-N 2.98Å; P334-R343 HydrophobicContact CB-CB 4.45Å; P334-R343 HydrophobicContact CB-CG 4.18Å; P334-R343 WeakPolarHBondContact CB-O 3.43Å; P334-F345 HydrophobicContact CG-CB 3.83Å; P334-F345 HydrophobicContact CG-CD2 4.08Å; P334-F345 HydrophobicContact CG-CG 4.47Å |
| 335 | K | 83.5 | Confident | 83.8 | Confident | 205 Ų | 205 | 87.4 Ų | 87.4 | 89% | 0.891 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -62.5 | -15.9 | 176.7 | -63.7 | -174.4 | 178.6 | -176.8 | 0 | 114.4 | F333 | F333-K335 PolarHBondContact O-N 2.88Å; F333-K335 VanDerWaalsContact O-N 3.08Å |
| 336 | E | 82.8 | Confident | 84.2 | Confident | 111 Ų | 111 | 87.1 Ų | 87.1 | 52% | 0.519 | 41% | 0.408 | S | S | . | . | G | 310 helix | trans | -76.2 | -13.3 | 175 | -67.6 | -179.2 | 174.5 | 0 | 0 | 112.8 | F333 P334 R338 | F333-E336 HydrophobicContact CB-CG 3.91Å; F333-E336 WeakPolarHBondContact CD2-OE1 3.41Å; F333-E336 WeakPolarHBondContact O-CB 3.34Å; F333-E336 PolarHBondContact O-N 3.2Å; P334-E336 PolarHBondContact O-N 2.73Å; P334-E336 VanDerWaalsContact O-N 3.15Å; E336-R338 PolarHBondContact O-N 3.11Å |
| 337 | D | 82.9 | Confident | 84.8 | Confident | 17 Ų | 17 | 81.8 Ų | 81.8 | 9% | 0.091 | 38% | 0.382 | C | S | . | . | trans | -74.1 | 96.9 | 176.6 | -161.6 | -25.2 | 0 | 0 | 0 | 110.7 | L331 P334 Q339 N340 R343 | L331-D337 HydrophobicContact CD1-CB 3.68Å; P334-D337 WeakPolarHBondContact O-CB 3.48Å; P334-D337 PolarHBondContact O-N 2.98Å; D337-Q339 PolarHBondContact O-N 2.94Å; D337-Q339 WeakPolarHBondContact OD1-CA 3.01Å; D337-Q339 WeakPolarHBondContact OD1-CB 3.22Å; D337-Q339 PolarHBondContact OD1-N 3.27Å; D337-N340 CarbonylContact O-C 3.56Å; D337-N340 PolarHBondContact OD1-N 3.31Å; D337-R343 HydrophobicContact CB-CB 4.36Å; D337-R343 WeakPolarHBondContact OD2-CD 3.08Å; D337-R343 IonicContact OD2-CZ 3.64Å; D337-R343 IonicContact OD2-NE 2.88Å; D337-R343 IonicContact OD2-NH1 3.04Å; D337-R343 PolarHBondContact OD2-NH1 3Å | ||
| 338 | R | 83.1 | Confident | 85.2 | Confident | 242 Ų | 242 | 79.4 Ų | 79.4 | 91% | 0.913 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -68.8 | -19.4 | 175.1 | -63.5 | -176.2 | -176.3 | 171.7 | 0.4 | 113 | E336 | E336-R338 PolarHBondContact O-N 3.11Š|
| 339 | Q | 82.4 | Confident | 85.3 | Confident | 144 Ų | 144 | 81.9 Ų | 81.9 | 67% | 0.673 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -87.1 | -32.4 | -178 | -63.5 | -179.9 | -14.8 | 0 | 0 | 111.3 | D337 | D337-Q339 PolarHBondContact O-N 2.94Å; D337-Q339 WeakPolarHBondContact OD1-CA 3.01Å; D337-Q339 WeakPolarHBondContact OD1-CB 3.22Å; D337-Q339 PolarHBondContact OD1-N 3.27Å |
| 340 | N | 83.2 | Confident | 85.6 | Confident | 69 Ų | 69 | 82 Ų | 82 | 37% | 0.369 | 38% | 0.382 | S | S | . | . | trans | -127.1 | 82.2 | 176.7 | -60.7 | -64 | 0 | 0 | 0 | 110.8 | D337 E342 R343 | D337-N340 CarbonylContact O-C 3.56Å; D337-N340 PolarHBondContact OD1-N 3.31Å; N340-E342 PolarHBondContact O-N 3.1Å; N340-E342 VanDerWaalsContact O-N 3.13Å; N340-R343 HydrophobicContact CB-CB 3.98Å; N340-R343 WeakPolarHBondContact O-CB 3.35Å; N340-R343 PolarHBondContact O-N 3.43Å | ||
| 341 | P | 82.3 | Confident | 85.8 | Confident | 110 Ų | 110 | 82 Ų | 82 | 71% | 0.714 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -26.5 | -177.9 | -23.3 | 33.3 | 0 | 0 | 0 | 114.1 | R343 | P341-R343 VanDerWaalsContact C-N 3.35Š|
| 342 | E | 83.2 | Confident | 85.9 | Confident | 182 Ų | 182 | 83.5 Ų | 83.5 | 85% | 0.85 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | 7.9 | 177.8 | -59 | -168.6 | 175 | 0 | 0 | 113.6 | N340 Q344 | N340-E342 PolarHBondContact O-N 3.1Å; N340-E342 VanDerWaalsContact O-N 3.13Å; E342-Q344 PolarHBondContact O-N 3.3Å; E342-Q344 VanDerWaalsContact O-N 3.15Å |
| 343 | R | 83.8 | Confident | 86 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 9% | 0.091 | 40% | 0.402 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 122.9 | -179.1 | 176.1 | 169.8 | 179.5 | 165.6 | 3.9 | 110.9 | Y327 R328 G329 L331 P334 D337 N340 P341 | Y327-R343 HydrophobicContact CD1-CB 4.19Å; Y327-R343 HydrophobicContact CD1-CG 3.6Å; Y327-R343 HydrophobicContact CD2-CG 4.39Å; Y327-R343 HydrophobicContact CE1-CB 3.82Å; Y327-R343 HydrophobicContact CE1-CG 3.58Å; Y327-R343 HydrophobicContact CE2-CG 4.37Å; Y327-R343 HydrophobicContact CG-CG 4.02Å; R328-R343 PolarHBondContact O-NH1 2.84Å; R328-R343 PolarHBondContact O-NH2 3.33Å; G329-R343 PolarHBondContact O-NH2 3.46Å; L331-R343 VanDerWaalsContact CD1-NH1 3.25Å; P334-R343 HydrophobicContact CB-CB 4.45Å; P334-R343 HydrophobicContact CB-CG 4.18Å; P334-R343 WeakPolarHBondContact CB-O 3.43Å; D337-R343 HydrophobicContact CB-CB 4.36Å; D337-R343 WeakPolarHBondContact OD2-CD 3.08Å; D337-R343 IonicContact OD2-CZ 3.64Å; D337-R343 IonicContact OD2-NE 2.88Å; D337-R343 IonicContact OD2-NH1 3.04Å; D337-R343 PolarHBondContact OD2-NH1 3Å; N340-R343 HydrophobicContact CB-CB 3.98Å; N340-R343 WeakPolarHBondContact O-CB 3.35Å; N340-R343 PolarHBondContact O-N 3.43Å; P341-R343 VanDerWaalsContact C-N 3.35Å |
| 344 | Q | 85.4 | Confident | 86.3 | Confident | 142 Ų | 142 | 80.2 Ų | 80.2 | 66% | 0.664 | 38% | 0.379 | S | S | * | . | P | Polyproline II helix | trans | -79.7 | 156.2 | 174.8 | -63.8 | -176.1 | 6.8 | 0 | 0 | 111.1 | Y327 E342 V346 | Y327-Q344 PolarHBondContact OH-N 3.36Å; E342-Q344 PolarHBondContact O-N 3.3Å; E342-Q344 VanDerWaalsContact O-N 3.15Å; Q344-V346 PolarHBondContact O-N 3.4Å |
| 345 | F | 87.1 | Confident | 86.8 | Confident | 68 Ų | 68 | 79.6 Ų | 79.6 | 30% | 0.298 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 119.8 | 171.1 | -179.7 | -92.7 | 0 | 0 | 0 | 109.8 | R94 M95 P334 | R94-F345 HydrophobicContact CG-CZ 3.87Å; M95-F345 HydrophobicContact CE-CE2 4.24Å; M95-F345 HydrophobicContact CE-CZ 4.49Å; M95-F345 HydrophobicContact SD-CE2 3.49Å; M95-F345 WeakPolarHBondContact SD-CE2 3.33Å; M95-F345 HydrophobicContact SD-CZ 3.55Å; M95-F345 VanDerWaalsContact SD-CZ 3.55Å; P334-F345 HydrophobicContact CG-CB 3.83Å; P334-F345 HydrophobicContact CG-CD2 4.08Å; P334-F345 HydrophobicContact CG-CG 4.47Å |
| 346 | V | 88.1 | Confident | 87.2 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 25% | 0.248 | 35% | 0.347 | C | S | . | . | trans | -128.9 | 122 | 176.7 | -172.8 | 0 | 0 | 0 | 0 | 108.3 | Y327 L330 Q344 | Y327-V346 HydrophobicContact CD2-CG2 4Å; Y327-V346 HydrophobicContact CE2-CG2 3.88Å; L330-V346 VanDerWaalsContact CD1-O 3.3Å; L330-V346 WeakPolarHBondContact CD1-O 3.3Å; Q344-V346 PolarHBondContact O-N 3.4Å | ||
| 347 | S | 89.9 | Confident | 87.7 | Confident | 29 Ų | 29 | 69.1 Ų | 69.1 | 20% | 0.203 | 33% | 0.33 | C | S | . | . | trans | -72.2 | 168.3 | 172.7 | 56.4 | 0 | 0 | 0 | 0 | 111.2 | M95 Q96 N324 R349 | M95-S347 WeakPolarHBondContact O-CB 3.46Å; Q96-S347 PolarHBondContact OE1-OG 3.12Å; N324-S347 PolarHBondContact ND2-O 2.87Å; S347-R349 PolarHBondContact O-N 2.91Å | ||
| 348 | L | 89.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 33% | 0.325 | C | S | . | . | trans | -65.1 | 104.1 | 176.1 | -178 | 67.3 | 0 | 0 | 0 | 110.1 | F74 M95 V97 F322 L330 P350 G351 I354 | F74-L348 HydrophobicContact CD1-CD1 4.35Å; F74-L348 HydrophobicContact CD1-CD2 4.42Å; M95-L348 PolarHBondContact O-N 3.48Å; V97-L348 HydrophobicContact CB-CD2 4.47Å; V97-L348 HydrophobicContact CG1-CD2 4.49Å; V97-L348 HydrophobicContact CG2-CB 3.83Å; V97-L348 HydrophobicContact CG2-CD2 3.95Å; V97-L348 HydrophobicContact CG2-CG 4.49Å; F322-L348 HydrophobicContact CE1-CD1 4.42Å; F322-L348 HydrophobicContact CZ-CD1 3.81Å; L330-L348 HydrophobicContact CD2-CB 4.15Å; L348-P350 HydrophobicContact CD1-CG 3.84Å; L348-P350 HydrophobicContact CG-CG 3.93Å; L348-G351 WeakPolarHBondContact O-CA 3.48Å; L348-G351 PolarHBondContact O-N 2.86Å; L348-I354 HydrophobicContact CD2-CD1 4.31Å | ||
| 349 | R | 85.2 | Confident | 88.9 | Confident | 165 Ų | 165 | 58.5 Ų | 58.5 | 62% | 0.623 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -43.5 | -177.6 | -174.5 | 177.5 | -76 | -174.3 | -4.5 | 114.3 | N324 D325 S347 G351 | N324-R349 PolarHBondContact OD1-N 3.2Å; D325-R349 VanDerWaalsContact CG-NH1 3.31Å; D325-R349 VanDerWaalsContact CG-NH2 3.3Å; D325-R349 WeakPolarHBondContact OD1-CD 3.45Å; D325-R349 IonicContact OD1-CZ 2.71Å; D325-R349 IonicContact OD1-NE 2.65Å; D325-R349 PolarHBondContact OD1-NE 2.87Å; D325-R349 IonicContact OD1-NH1 3.31Å; D325-R349 PolarHBondContact OD1-NH1 2.75Å; D325-R349 IonicContact OD1-NH2 3.2Å; D325-R349 IonicContact OD2-CZ 3.51Å; D325-R349 IonicContact OD2-NE 4Å; D325-R349 PolarHBondContact OD2-NE 2.67Å; D325-R349 IonicContact OD2-NH1 3.17Å; D325-R349 PolarHBondContact OD2-NH1 2.77Å; D325-R349 IonicContact OD2-NH2 2.91Å; D325-R349 PolarHBondContact OD2-NH2 2.76Å; S347-R349 PolarHBondContact O-N 2.91Å; R349-G351 PolarHBondContact O-N 3.23Å |
| 350 | P | 88.6 | Confident | 89.5 | Confident | 5 Ų | 5 | 58.7 Ų | 58.7 | 3% | 0.032 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.3 | -6 | 176 | 32.1 | -37.5 | 0 | 0 | 0 | 113 | F74 L312 H316 L348 L353 I354 | F74-P350 HydrophobicContact CE1-CG 4.34Å; L312-P350 HydrophobicContact CD2-CB 3.73Å; H316-P350 VanDerWaalsContact NE2-CD 3.26Å; H316-P350 WeakPolarHBondContact NE2-CD 3.49Å; L348-P350 HydrophobicContact CD1-CG 3.84Å; L348-P350 HydrophobicContact CG-CG 3.93Å; P350-L353 WeakPolarHBondContact O-CB 3.47Å; P350-L353 PolarHBondContact O-N 3.35Å; P350-L353 VanDerWaalsContact O-N 3.12Å; P350-I354 HydrophobicContact CB-CD1 3.91Å; P350-I354 HydrophobicContact CB-CG1 4.39Å; P350-I354 HydrophobicContact CG-CD1 4.03Å; P350-I354 VanDerWaalsContact O-CG1 3.29Å; P350-I354 WeakPolarHBondContact O-CG1 3.45Å; P350-I354 PolarHBondContact O-N 3.38Å |
| 351 | G | 90.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -48.7 | -54.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115 | Q96 L348 R349 L353 I354 Y355 | Q96-G351 WeakPolarHBondContact O-CA 3.41Å; L348-G351 WeakPolarHBondContact O-CA 3.48Å; L348-G351 PolarHBondContact O-N 2.86Å; R349-G351 PolarHBondContact O-N 3.23Å; G351-L353 VanDerWaalsContact C-N 3.32Å; G351-L353 PolarHBondContact O-N 2.76Å; G351-I354 PolarHBondContact O-N 3.33Å; G351-I354 VanDerWaalsContact O-N 3.17Å; G351-Y355 PolarHBondContact O-N 3.21Å |
| 352 | P | 91.9 | Very high | 90.8 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 32% | 0.318 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -58.8 | -40.2 | 178.2 | -23.2 | 31.6 | 0 | 0 | 0 | 113.3 | F114 E356 | F114-P352 HydrophobicContact CE1-CB 4.33Å; F114-P352 HydrophobicContact CE1-CG 4.18Å; F114-P352 HydrophobicContact CZ-CB 4.27Å; F114-P352 HydrophobicContact CZ-CG 3.98Å; P352-E356 WeakPolarHBondContact O-CB 3.23Å; P352-E356 WeakPolarHBondContact O-CG 3.2Å; P352-E356 PolarHBondContact O-N 3.47Å |
| 353 | L | 91.3 | Very high | 91.4 | Very high | 58 Ų | 58 | 49.3 Ų | 49.3 | 30% | 0.304 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -66.3 | -42.4 | 176.9 | 173.3 | 69.5 | 0 | 0 | 0 | 111.4 | N309 L312 P350 G351 T357 | N309-L353 VanDerWaalsContact ND2-CD2 3.34Å; N309-L353 WeakPolarHBondContact ND2-CD2 3.28Å; L312-L353 HydrophobicContact CD1-CD2 4.18Å; L312-L353 HydrophobicContact CD2-CD2 3.59Å; P350-L353 WeakPolarHBondContact O-CB 3.47Å; P350-L353 PolarHBondContact O-N 3.35Å; P350-L353 VanDerWaalsContact O-N 3.12Å; G351-L353 VanDerWaalsContact C-N 3.32Å; G351-L353 PolarHBondContact O-N 2.76Å; L353-T357 WeakPolarHBondContact O-CB 3.48Å; L353-T357 PolarHBondContact O-N 2.89Å; L353-T357 PolarHBondContact O-OG1 2.73Å |
| 354 | I | 92.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 178.2 | -63.1 | 161.4 | 0 | 0 | 0 | 109.3 | F74 P98 F302 I305 L348 P350 G351 E356 T357 L358 | F74-I354 HydrophobicContact CB-CD1 4.21Å; F74-I354 HydrophobicContact CD1-CD1 3.89Å; F74-I354 HydrophobicContact CG-CD1 4.34Å; P98-I354 HydrophobicContact CG-CB 4.04Å; P98-I354 HydrophobicContact CG-CG2 3.81Å; F302-I354 HydrophobicContact CE1-CD1 4.38Å; F302-I354 HydrophobicContact CE1-CG1 4.44Å; F302-I354 HydrophobicContact CE2-CG2 3.95Å; F302-I354 HydrophobicContact CZ-CD1 4.12Å; F302-I354 HydrophobicContact CZ-CG1 4.22Å; F302-I354 HydrophobicContact CZ-CG2 3.69Å; I305-I354 HydrophobicContact CD1-CB 4.3Å; I305-I354 HydrophobicContact CD1-CG1 3.91Å; I305-I354 HydrophobicContact CD1-CG2 4.37Å; L348-I354 HydrophobicContact CD2-CD1 4.31Å; P350-I354 HydrophobicContact CB-CD1 3.91Å; P350-I354 HydrophobicContact CB-CG1 4.39Å; P350-I354 HydrophobicContact CG-CD1 4.03Å; P350-I354 VanDerWaalsContact O-CG1 3.29Å; P350-I354 WeakPolarHBondContact O-CG1 3.45Å; P350-I354 PolarHBondContact O-N 3.38Å; G351-I354 PolarHBondContact O-N 3.33Å; G351-I354 VanDerWaalsContact O-N 3.17Å; I354-E356 PolarHBondContact O-N 3.25Å; I354-T357 PolarHBondContact O-N 2.84Å; I354-L358 HydrophobicContact CG2-CD1 3.87Å; I354-L358 HydrophobicContact CG2-CG 4.35Å; I354-L358 WeakPolarHBondContact O-CG 2.97Å; I354-L358 PolarHBondContact O-N 2.98Å |
| 355 | Y | 94.3 | Very high | 92.2 | Very high | 11 Ų | 11 | 47.1 Ų | 47.1 | 4% | 0.043 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -57.6 | -50.5 | 177.4 | -175.8 | -108.9 | 0 | 0 | 0 | 112.1 | P98 R113 F114 E115 L116 G351 T357 L358 K359 | P98-Y355 HydrophobicContact CB-CD2 4.27Å; R113-Y355 WeakPolarHBondContact O-CE1 2.95Å; R113-Y355 PolarHBondContact O-OH 2.77Å; F114-Y355 HydrophobicContact CB-CD2 4.49Å; F114-Y355 HydrophobicContact CD1-CD2 4.4Å; F114-Y355 HydrophobicContact CD1-CG 4.05Å; E115-Y355 WeakPolarHBondContact O-CE2 3.35Å; E115-Y355 PolarHBondContact O-OH 3.05Å; L116-Y355 HydrophobicContact CD2-CE2 3.77Å; L116-Y355 HydrophobicContact CG-CD2 4.36Å; L116-Y355 HydrophobicContact CG-CE2 3.77Å; G351-Y355 PolarHBondContact O-N 3.21Å; Y355-T357 PolarHBondContact O-N 2.84Å; Y355-L358 PolarHBondContact O-N 3.36Å; Y355-K359 HydrophobicContact CE1-CD 4.39Å; Y355-K359 WeakPolarHBondContact O-CB 3.45Å; Y355-K359 PolarHBondContact O-N 2.8Å |
| 356 | E | 93.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 43.9 Ų | 43.9 | 33% | 0.332 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -62.7 | -31.3 | 178.2 | -76.4 | -58.9 | 136.2 | 0 | 0 | 112.8 | P352 I354 K359 K360 | P352-E356 WeakPolarHBondContact O-CB 3.23Å; P352-E356 WeakPolarHBondContact O-CG 3.2Å; P352-E356 PolarHBondContact O-N 3.47Å; I354-E356 PolarHBondContact O-N 3.25Å; E356-K359 WeakPolarHBondContact OE1-CE 3.49Å; E356-K359 IonicContact OE1-NZ 2.75Å; E356-K359 PolarHBondContact OE1-NZ 2.9Å; E356-K359 WeakPolarHBondContact OE2-CE 3.35Å; E356-K359 IonicContact OE2-NZ 2.76Å; E356-K360 WeakPolarHBondContact O-CD 3.3Å; E356-K360 VanDerWaalsContact O-CG 3.24Å; E356-K360 WeakPolarHBondContact O-CG 3.41Å; E356-K360 PolarHBondContact O-N 2.78Å |
| 357 | T | 93.7 | Very high | 92.8 | Very high | 25 Ų | 25 | 42 Ų | 42 | 15% | 0.153 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73.2 | -47.4 | 175.6 | -54.3 | 0 | 0 | 0 | 0 | 111.1 | A301 A304 I305 L353 I354 Y355 K359 K360 I361 | A301-T357 HydrophobicContact CB-CG2 4.23Å; A304-T357 HydrophobicContact CB-CG2 4.17Å; I305-T357 HydrophobicContact CD1-CG2 4.3Å; I305-T357 HydrophobicContact CG1-CG2 3.77Å; L353-T357 WeakPolarHBondContact O-CB 3.48Å; L353-T357 PolarHBondContact O-N 2.89Å; L353-T357 PolarHBondContact O-OG1 2.73Å; I354-T357 PolarHBondContact O-N 2.84Å; Y355-T357 PolarHBondContact O-N 2.84Å; T357-K359 VanDerWaalsContact C-N 3.3Å; T357-K359 PolarHBondContact O-N 3.41Å; T357-K360 PolarHBondContact O-N 3.16Å; T357-K360 VanDerWaalsContact O-N 3.11Å; T357-I361 WeakPolarHBondContact O-CG1 3.4Å; T357-I361 PolarHBondContact O-N 2.92Å |
| 358 | L | 95.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.4 | -47.4 | 175.7 | -71.5 | 161.9 | 0 | 0 | 0 | 111 | P98 I100 L116 L297 V298 A301 I354 Y355 K360 I361 | P98-L358 HydrophobicContact CB-CD1 3.67Å; P98-L358 HydrophobicContact CG-CD1 4.16Å; I100-L358 HydrophobicContact CD1-CD1 4.42Å; I100-L358 HydrophobicContact CD1-CD2 4.2Å; L116-L358 HydrophobicContact CD1-CB 3.43Å; L116-L358 VanDerWaalsContact CD1-CB 3.43Å; L116-L358 HydrophobicContact CD1-CD1 4.36Å; L116-L358 HydrophobicContact CD1-CG 4.42Å; L297-L358 HydrophobicContact CD1-CD2 4.45Å; L297-L358 WeakPolarHBondContact CD1-O 3.12Å; L297-L358 HydrophobicContact CD2-CD2 4.46Å; L297-L358 HydrophobicContact CG-CD2 3.93Å; V298-L358 HydrophobicContact CG2-CD2 4.31Å; A301-L358 HydrophobicContact CB-CB 4.48Å; A301-L358 HydrophobicContact CB-CD2 3.41Å; A301-L358 VanDerWaalsContact CB-CD2 3.41Å; A301-L358 HydrophobicContact CB-CG 3.85Å; I354-L358 HydrophobicContact CG2-CD1 3.87Å; I354-L358 HydrophobicContact CG2-CG 4.35Å; I354-L358 WeakPolarHBondContact O-CG 2.97Å; I354-L358 PolarHBondContact O-N 2.98Å; Y355-L358 PolarHBondContact O-N 3.36Å; L358-K360 VanDerWaalsContact C-N 3.26Å; L358-K360 PolarHBondContact O-N 3.29Å; L358-I361 PolarHBondContact O-N 3.42Å |
| 359 | K | 94.5 | Very high | 93.2 | Very high | 36 Ų | 36 | 43.2 Ų | 43.2 | 16% | 0.157 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.2 | -31.2 | 179 | -170.8 | 168.4 | 61.3 | -171.7 | 0 | 113.6 | L116 Y355 E356 T357 F372 D373 A374 | L116-K359 HydrophobicContact CD2-CB 4.23Å; L116-K359 HydrophobicContact CD2-CG 4.44Å; Y355-K359 HydrophobicContact CE1-CD 4.39Å; Y355-K359 WeakPolarHBondContact O-CB 3.45Å; Y355-K359 PolarHBondContact O-N 2.8Å; E356-K359 WeakPolarHBondContact OE1-CE 3.49Å; E356-K359 IonicContact OE1-NZ 2.75Å; E356-K359 PolarHBondContact OE1-NZ 2.9Å; E356-K359 WeakPolarHBondContact OE2-CE 3.35Å; E356-K359 IonicContact OE2-NZ 2.76Å; T357-K359 VanDerWaalsContact C-N 3.3Å; T357-K359 PolarHBondContact O-N 3.41Å; K359-F372 HydrophobicContact CG-CB 4.17Å; K359-D373 WeakPolarHBondContact CD-O 3.25Å; K359-A374 PolarHBondContact NZ-O 3.13Å |
| 360 | K | 94.9 | Very high | 93.7 | Very high | 147 Ų | 147 | 35.3 Ų | 35.3 | 64% | 0.639 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -83.7 | -18.5 | -178.9 | -74.4 | 171.2 | -173 | 170.8 | 0 | 114.2 | E356 T357 L358 | E356-K360 WeakPolarHBondContact O-CD 3.3Å; E356-K360 VanDerWaalsContact O-CG 3.24Å; E356-K360 WeakPolarHBondContact O-CG 3.41Å; E356-K360 PolarHBondContact O-N 2.78Å; T357-K360 PolarHBondContact O-N 3.16Å; T357-K360 VanDerWaalsContact O-N 3.11Å; L358-K360 VanDerWaalsContact C-N 3.26Å; L358-K360 PolarHBondContact O-N 3.29Å |
| 361 | I | 96 | Very high | 94 | Very high | 27 Ų | 27 | 36.6 Ų | 36.6 | 14% | 0.138 | 18% | 0.179 | C | C | . | . | trans | -68.4 | 134.6 | -179.4 | -70.4 | -61.4 | 0 | 0 | 0 | 110.1 | L297 K300 A301 A304 T357 L358 F363 | L297-I361 HydrophobicContact CD1-CB 3.79Å; L297-I361 HydrophobicContact CD1-CG2 3.73Å; K300-I361 HydrophobicContact CB-CD1 4.32Å; K300-I361 HydrophobicContact CB-CG2 3.86Å; K300-I361 HydrophobicContact CD-CG2 4.31Å; A301-I361 HydrophobicContact CB-CG1 4.01Å; A304-I361 HydrophobicContact CB-CD1 4.24Å; T357-I361 WeakPolarHBondContact O-CG1 3.4Å; T357-I361 PolarHBondContact O-N 2.92Å; L358-I361 PolarHBondContact O-N 3.42Å; I361-F363 HydrophobicContact CG2-CD1 3.73Å; I361-F363 HydrophobicContact CG2-CE1 4.13Å | ||
| 362 | K | 96.5 | Very high | 94.2 | Very high | 127 Ų | 127 | 37.1 Ų | 37.1 | 55% | 0.552 | 18% | 0.182 | S | C | * | . | trans | -127.3 | 134.7 | 175.3 | -57.9 | -175.8 | -178 | -161.1 | 0 | 110.2 | V370 Q371 | K362-V370 WeakPolarHBondContact CA-O 3.39Å; K362-Q371 HydrophobicContact CD-CG 4.22Å; K362-Q371 VanDerWaalsContact CE-CD 3.42Å; K362-Q371 VanDerWaalsContact CE-OE1 3.25Å; K362-Q371 HydrophobicContact CG-CB 4.36Å; K362-Q371 HydrophobicContact CG-CG 4.2Å | ||
| 363 | F | 95.7 | Very high | 94.2 | Very high | 11 Ų | 11 | 36.4 Ų | 36.4 | 5% | 0.048 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162 | 160.3 | 176.4 | 63.3 | -81.2 | 0 | 0 | 0 | 113.1 | D293 L296 L297 K300 I361 V370 | D293-F363 HydrophobicContact CB-CE2 4.38Å; D293-F363 HydrophobicContact CB-CZ 4.48Å; D293-F363 WeakPolarHBondContact O-CZ 3.19Å; L296-F363 HydrophobicContact CB-CE2 4.09Å; L296-F363 HydrophobicContact CB-CZ 4.28Å; L296-F363 HydrophobicContact CD2-CD2 3.68Å; L296-F363 HydrophobicContact CD2-CE2 3.57Å; L296-F363 HydrophobicContact CG-CD2 4.08Å; L296-F363 HydrophobicContact CG-CE2 3.81Å; L296-F363 HydrophobicContact CG-CZ 4.29Å; L297-F363 HydrophobicContact CB-CE1 3.82Å; L297-F363 HydrophobicContact CB-CZ 3.97Å; L297-F363 HydrophobicContact CD1-CE1 3.95Å; L297-F363 HydrophobicContact CG-CE1 4.49Å; K300-F363 HydrophobicContact CD-CB 4.01Å; K300-F363 HydrophobicContact CD-CD1 4.07Å; K300-F363 HydrophobicContact CD-CG 4.04Å; I361-F363 HydrophobicContact CG2-CD1 3.73Å; I361-F363 HydrophobicContact CG2-CE1 4.13Å; F363-V370 HydrophobicContact CD1-CB 3.97Å; F363-V370 HydrophobicContact CD1-CG1 4.37Å; F363-V370 HydrophobicContact CD1-CG2 4.47Å; F363-V370 HydrophobicContact CD2-CB 4.31Å; F363-V370 HydrophobicContact CD2-CG2 3.97Å; F363-V370 HydrophobicContact CE1-CB 3.64Å; F363-V370 HydrophobicContact CE1-CG1 3.64Å; F363-V370 HydrophobicContact CE1-CG2 4.04Å; F363-V370 HydrophobicContact CE2-CB 3.99Å; F363-V370 HydrophobicContact CE2-CG2 3.45Å; F363-V370 VanDerWaalsContact CE2-CG2 3.45Å; F363-V370 HydrophobicContact CG-CB 4.29Å; F363-V370 HydrophobicContact CG-CG2 4.45Å; F363-V370 HydrophobicContact CZ-CB 3.65Å; F363-V370 HydrophobicContact CZ-CG1 3.73Å; F363-V370 HydrophobicContact CZ-CG2 3.5Å; F363-V370 PolarHBondContact N-O 3.49Å; F363-V370 PolarHBondContact O-N 3Å |
| 364 | Q | 94.3 | Very high | 94.1 | Very high | 116 Ų | 116 | 37.8 Ų | 37.8 | 54% | 0.542 | 20% | 0.195 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 117.5 | 166.3 | -159.8 | 70.6 | 3.1 | 0 | 0 | 109.9 | N369 | Q364-N369 VanDerWaalsContact OE1-CA 3.23Å |
| 365 | G | 93.3 | Very high | 93.9 | Very high | 4 Ų | 4 | 40.4 Ų | 40.4 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | -166.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.6 | D293 T367 G368 | D293-G365 VanDerWaalsContact OD1-CA 3.24Å; D293-G365 WeakPolarHBondContact OD1-CA 3.34Å; G365-T367 VanDerWaalsContact C-N 3.26Å; G365-G368 PolarHBondContact N-O 2.78Å; G365-G368 PolarHBondContact O-N 3.36Å |
| 366 | L | 94.1 | Very high | 93.7 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -33 | 172.6 | -65.3 | 177.1 | 0 | 0 | 0 | 111.9 | N255 F260 F261 V264 I284 A289 F292 D293 G368 | N255-L366 PolarHBondContact N-O 3.28Å; F260-L366 HydrophobicContact CD1-CD2 3.86Å; F260-L366 HydrophobicContact CE1-CD2 3.91Å; F260-L366 HydrophobicContact CE1-CG 4.15Å; F261-L366 HydrophobicContact CB-CD2 4.28Å; F261-L366 HydrophobicContact CD2-CD2 4.05Å; V264-L366 HydrophobicContact CB-CD2 4.06Å; V264-L366 HydrophobicContact CG1-CD1 4.08Å; V264-L366 HydrophobicContact CG1-CD2 4.26Å; V264-L366 HydrophobicContact CG2-CD2 4.11Å; I284-L366 HydrophobicContact CD1-CD1 4.17Å; I284-L366 HydrophobicContact CG2-CD1 4.42Å; A289-L366 HydrophobicContact CB-CB 3.83Å; A289-L366 HydrophobicContact CB-CD1 4.1Å; F292-L366 HydrophobicContact CB-CD1 3.86Å; F292-L366 HydrophobicContact CD1-CD1 3.52Å; F292-L366 HydrophobicContact CD1-CG 3.86Å; F292-L366 HydrophobicContact CE1-CD1 4.27Å; F292-L366 HydrophobicContact CE1-CG 4.33Å; F292-L366 HydrophobicContact CG-CD1 3.76Å; D293-L366 PolarHBondContact OD1-N 3.19Å; D293-L366 PolarHBondContact OD2-N 3.19Å; D293-L366 VanDerWaalsContact OD2-N 3.08Å; L366-G368 VanDerWaalsContact C-N 3.28Å; L366-G368 PolarHBondContact O-N 3.16Å |
| 367 | T | 93.3 | Very high | 93.5 | Very high | 1 Ų | 1 | 41.2 Ų | 41.2 | 1% | 0.006 | 21% | 0.213 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 26.2 | 178.8 | 62.5 | 0 | 0 | 0 | 0 | 113.1 | Y253 A289 L290 D293 G365 R378 | Y253-T367 HydrophobicContact CD2-CG2 3.8Å; Y253-T367 HydrophobicContact CE2-CG2 3.77Å; Y253-T367 CarbonylContact O-C 3.53Å; Y253-T367 WeakPolarHBondContact O-CA 3.31Å; A289-T367 HydrophobicContact CB-CG2 3.72Å; L290-T367 HydrophobicContact CD2-CG2 3.81Å; L290-T367 HydrophobicContact CG-CG2 4.01Å; D293-T367 WeakPolarHBondContact OD2-CB 3.17Å; D293-T367 WeakPolarHBondContact OD2-CG2 3.38Å; D293-T367 PolarHBondContact OD2-N 3.48Å; D293-T367 PolarHBondContact OD2-OG1 3.41Å; G365-T367 VanDerWaalsContact C-N 3.26Å; T367-R378 PolarHBondContact OG1-NH2 2.92Å |
| 368 | G | 92.3 | Very high | 93.5 | Very high | 11 Ų | 11 | 40.5 Ų | 40.5 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 78.3 | -146.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | G365 L366 V370 | G365-G368 PolarHBondContact N-O 2.78Å; G365-G368 PolarHBondContact O-N 3.36Å; L366-G368 VanDerWaalsContact C-N 3.28Å; L366-G368 PolarHBondContact O-N 3.16Å; G368-V370 PolarHBondContact O-N 2.8Å |
| 369 | N | 94.7 | Very high | 93.3 | Very high | 43 Ų | 43 | 42 Ų | 42 | 23% | 0.23 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 118.3 | -176.1 | 179 | 51.2 | 0 | 0 | 0 | 111.6 | Q364 R378 H380 | Q364-N369 VanDerWaalsContact OE1-CA 3.23Å; N369-R378 VanDerWaalsContact C-NH1 3.27Å; N369-R378 PolarHBondContact O-NH1 2.85Å; N369-H380 PolarHBondContact ND2-O 3.35Å |
| 370 | V | 95.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 108.2 | 177.7 | -169.8 | 0 | 0 | 0 | 0 | 109.6 | M118 K362 F363 G368 F372 R378 | M118-V370 HydrophobicContact CE-CG1 4.21Å; M118-V370 HydrophobicContact SD-CG1 4.49Å; K362-V370 WeakPolarHBondContact CA-O 3.39Å; F363-V370 HydrophobicContact CD1-CB 3.97Å; F363-V370 HydrophobicContact CD1-CG1 4.37Å; F363-V370 HydrophobicContact CD1-CG2 4.47Å; F363-V370 HydrophobicContact CD2-CB 4.31Å; F363-V370 HydrophobicContact CD2-CG2 3.97Å; F363-V370 HydrophobicContact CE1-CB 3.64Å; F363-V370 HydrophobicContact CE1-CG1 3.64Å; F363-V370 HydrophobicContact CE1-CG2 4.04Å; F363-V370 HydrophobicContact CE2-CB 3.99Å; F363-V370 HydrophobicContact CE2-CG2 3.45Å; F363-V370 VanDerWaalsContact CE2-CG2 3.45Å; F363-V370 HydrophobicContact CG-CB 4.29Å; F363-V370 HydrophobicContact CG-CG2 4.45Å; F363-V370 HydrophobicContact CZ-CB 3.65Å; F363-V370 HydrophobicContact CZ-CG1 3.73Å; F363-V370 HydrophobicContact CZ-CG2 3.5Å; F363-V370 PolarHBondContact N-O 3.49Å; F363-V370 PolarHBondContact O-N 3Å; G368-V370 PolarHBondContact O-N 2.8Å; V370-F372 HydrophobicContact CG1-CE2 3.97Å; V370-F372 HydrophobicContact CG1-CZ 3.92Å; V370-R378 VanDerWaalsContact CA-NH1 3.29Å |
| 371 | Q | 95.5 | Very high | 93.1 | Very high | 31 Ų | 31 | 42.2 Ų | 42.2 | 15% | 0.145 | 22% | 0.218 | C | C | . | . | trans | -147.7 | 148.6 | 174.4 | 176.5 | 175.3 | -37.7 | 0 | 0 | 109.6 | K362 R378 T379 | K362-Q371 HydrophobicContact CD-CG 4.22Å; K362-Q371 VanDerWaalsContact CE-CD 3.42Å; K362-Q371 VanDerWaalsContact CE-OE1 3.25Å; K362-Q371 HydrophobicContact CG-CB 4.36Å; K362-Q371 HydrophobicContact CG-CG 4.2Å; Q371-R378 CarbonylContact O-C 3.54Å; Q371-R378 WeakPolarHBondContact O-CA 3.32Å; Q371-T379 PolarHBondContact O-N 3.13Å | ||
| 372 | F | 94.9 | Very high | 92.9 | Very high | 12 Ų | 12 | 45.8 Ų | 45.8 | 5% | 0.053 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -116.5 | 152.4 | 179 | -54.7 | -81.2 | 0 | 0 | 0 | 112.7 | L116 R117 M118 L297 K359 V370 G376 R377 R378 | L116-F372 HydrophobicContact CB-CE1 4.29Å; L116-F372 HydrophobicContact CD2-CB 4.49Å; L116-F372 HydrophobicContact CD2-CD1 4.27Å; L116-F372 HydrophobicContact CD2-CD2 4.48Å; L116-F372 HydrophobicContact CD2-CG 4.15Å; R117-F372 WeakPolarHBondContact O-CE1 3.45Å; M118-F372 HydrophobicContact SD-CE1 4.19Å; M118-F372 HydrophobicContact SD-CZ 3.58Å; M118-F372 VanDerWaalsContact SD-CZ 3.58Å; L297-F372 HydrophobicContact CD1-CE2 4.06Å; L297-F372 HydrophobicContact CD2-CE2 3.65Å; L297-F372 HydrophobicContact CD2-CZ 3.72Å; K359-F372 HydrophobicContact CG-CB 4.17Å; V370-F372 HydrophobicContact CG1-CE2 3.97Å; V370-F372 HydrophobicContact CG1-CZ 3.92Å; F372-G376 WeakPolarHBondContact CD1-O 3.36Å; F372-R377 CarbonylContact C-O 3.56Å; F372-R377 WeakPolarHBondContact CA-O 3.46Å; F372-R378 HydrophobicContact CE1-CG 4.33Å |
| 373 | D | 91.4 | Very high | 92.6 | Very high | 34 Ų | 34 | 41.9 Ų | 41.9 | 18% | 0.182 | 23% | 0.23 | C | C | . | . | trans | -81.6 | -174.2 | 165.1 | 68.5 | 5.9 | 0 | 0 | 0 | 111.9 | K359 S375 G376 R377 T379 | K359-D373 WeakPolarHBondContact CD-O 3.25Å; D373-S375 PolarHBondContact O-N 3.2Å; D373-S375 PolarHBondContact OD1-N 2.97Å; D373-S375 PolarHBondContact OD1-OG 2.74Å; D373-S375 PolarHBondContact OD2-OG 2.97Å; D373-G376 PolarHBondContact O-N 2.8Å; D373-G376 PolarHBondContact OD1-N 2.81Å; D373-R377 PolarHBondContact N-O 3.01Å; D373-R377 PolarHBondContact OD1-N 2.83Å; D373-R377 IonicContact OD2-CZ 3.38Å; D373-R377 VanDerWaalsContact OD2-CZ 3.3Å; D373-R377 IonicContact OD2-NE 3.04Å; D373-R377 PolarHBondContact OD2-NE 3.11Å; D373-R377 IonicContact OD2-NH2 2.73Å; D373-R377 PolarHBondContact OD2-NH2 3.22Å; D373-T379 HydrophobicContact CB-CG2 3.68Å | ||
| 374 | A | 89.3 | Confident | 92.4 | Very high | 87 Ų | 87 | 43.2 Ų | 43.2 | 72% | 0.719 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.1 | -26.6 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | K359 | K359-A374 PolarHBondContact NZ-O 3.13Š|
| 375 | S | 88 | Confident | 92.2 | Very high | 54 Ų | 54 | 41 Ų | 41 | 38% | 0.378 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 4.5 | 179.1 | 60.5 | 0 | 0 | 0 | 0 | 113.6 | D373 R377 | D373-S375 PolarHBondContact O-N 3.2Å; D373-S375 PolarHBondContact OD1-N 2.97Å; D373-S375 PolarHBondContact OD1-OG 2.74Å; D373-S375 PolarHBondContact OD2-OG 2.97Å; S375-R377 PolarHBondContact OG-NE 3.13Å |
| 376 | G | 90.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | S | Bend | trans | 84.3 | 13.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | L116 R117 F372 D373 | L116-G376 WeakPolarHBondContact CA-O 3.41Å; R117-G376 PolarHBondContact N-O 3.26Å; F372-G376 WeakPolarHBondContact CD1-O 3.36Å; D373-G376 PolarHBondContact O-N 2.8Å; D373-G376 PolarHBondContact OD1-N 2.81Å |
| 377 | R | 90.4 | Very high | 91.9 | Very high | 99 Ų | 99 | 45.1 Ų | 45.1 | 37% | 0.374 | 26% | 0.258 | S | S | . | . | B | Isolated β-bridge | trans | -85.6 | 145.4 | 174.7 | -59.6 | -179.2 | -61.8 | 171.5 | 2 | 111.1 | F372 D373 S375 T379 | F372-R377 CarbonylContact C-O 3.56Å; F372-R377 WeakPolarHBondContact CA-O 3.46Å; D373-R377 PolarHBondContact N-O 3.01Å; D373-R377 PolarHBondContact OD1-N 2.83Å; D373-R377 IonicContact OD2-CZ 3.38Å; D373-R377 VanDerWaalsContact OD2-CZ 3.3Å; D373-R377 IonicContact OD2-NE 3.04Å; D373-R377 PolarHBondContact OD2-NE 3.11Å; D373-R377 IonicContact OD2-NH2 2.73Å; D373-R377 PolarHBondContact OD2-NH2 3.22Å; S375-R377 PolarHBondContact OG-NE 3.13Å; R377-T379 PolarHBondContact O-N 3.34Å |
| 378 | R | 92.4 | Very high | 91.5 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | B | Isolated β-bridge | trans | -54.1 | 134.7 | 169.2 | -94 | -74.9 | -167.5 | 132 | 17.6 | 111.4 | R117 M118 T367 N369 V370 Q371 F372 Y381 | R117-R378 WeakPolarHBondContact O-CG 3.24Å; R117-R378 PolarHBondContact O-N 3.15Å; M118-R378 VanDerWaalsContact O-CG 3.31Å; M118-R378 WeakPolarHBondContact O-CG 3.31Å; M118-R378 PolarHBondContact O-NE 3.45Å; M118-R378 PolarHBondContact O-NH2 3.09Å; T367-R378 PolarHBondContact OG1-NH2 2.92Å; N369-R378 VanDerWaalsContact C-NH1 3.27Å; N369-R378 PolarHBondContact O-NH1 2.85Å; V370-R378 VanDerWaalsContact CA-NH1 3.29Å; Q371-R378 CarbonylContact O-C 3.54Å; Q371-R378 WeakPolarHBondContact O-CA 3.32Å; F372-R378 HydrophobicContact CE1-CG 4.33Å; R378-Y381 HydrophobicContact CB-CD1 4.02Å; R378-Y381 HydrophobicContact CB-CE1 4.12Å; R378-Y381 WeakPolarHBondContact O-CE1 3.32Å |
| 379 | T | 92.7 | Very high | 90.7 | Very high | 31 Ų | 31 | 50.5 Ų | 50.5 | 19% | 0.19 | 28% | 0.281 | C | S | . | . | trans | -138.5 | 167.5 | 170.5 | 62.7 | 0 | 0 | 0 | 0 | 111.4 | Q371 D373 R377 Y381 | Q371-T379 PolarHBondContact O-N 3.13Å; D373-T379 HydrophobicContact CB-CG2 3.68Å; R377-T379 PolarHBondContact O-N 3.34Å; T379-Y381 PolarHBondContact O-N 3.25Å | ||
| 380 | H | 93 | Very high | 89.3 | Confident | 134 Ų | 134 | 52.6 Ų | 52.6 | 62% | 0.62 | 29% | 0.288 | S | S | * | . | S | Bend | trans | 54.6 | 38.1 | 176.2 | -58.5 | 76.5 | 0 | 0 | 0 | 113.5 | N369 | N369-H380 PolarHBondContact ND2-O 3.35Š|
| 381 | Y | 92.4 | Very high | 87.3 | Confident | 54 Ų | 54 | 57 Ų | 57 | 21% | 0.212 | 32% | 0.319 | C | S | . | . | trans | -98.6 | 167.8 | 173 | 53.8 | -92.3 | 0 | 0 | 0 | 110.6 | P120 Q121 R378 T379 L383 | P120-Y381 HydrophobicContact CB-CD1 4.03Å; P120-Y381 HydrophobicContact CB-CD2 3.61Å; P120-Y381 HydrophobicContact CB-CE1 4.03Å; P120-Y381 HydrophobicContact CB-CE2 3.59Å; P120-Y381 HydrophobicContact CB-CG 3.83Å; P120-Y381 HydrophobicContact CG-CD2 4.37Å; P120-Y381 HydrophobicContact CG-CG 4.34Å; Q121-Y381 PolarHBondContact N-OH 2.86Å; Q121-Y381 PolarHBondContact O-OH 2.91Å; R378-Y381 HydrophobicContact CB-CD1 4.02Å; R378-Y381 HydrophobicContact CB-CE1 4.12Å; R378-Y381 WeakPolarHBondContact O-CE1 3.32Å; T379-Y381 PolarHBondContact O-N 3.25Å; Y381-L383 HydrophobicContact CD2-CD2 4.03Å; Y381-L383 HydrophobicContact CD2-CG 4.17Å; Y381-L383 HydrophobicContact CE2-CD1 4.33Å; Y381-L383 HydrophobicContact CE2-CD2 4.23Å; Y381-L383 HydrophobicContact CE2-CG 4.19Å | ||
| 382 | S | 90.7 | Very high | 85 | Confident | 101 Ų | 101 | 57.6 Ų | 57.6 | 71% | 0.706 | 33% | 0.333 | S | S | * | . | trans | -122.3 | 141.1 | 177.4 | -52.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 383 | L | 91.7 | Very high | 82.4 | Confident | 45 Ų | 45 | 62.2 Ų | 62.2 | 24% | 0.236 | 36% | 0.358 | C | S | . | . | trans | -114.3 | 131.7 | 174.6 | -57.3 | 179.7 | 0 | 0 | 0 | 108.7 | K122 A125 F251 Q252 Y253 Y381 | K122-L383 HydrophobicContact CG-CD1 4.27Å; A125-L383 HydrophobicContact CB-CD1 3.59Å; F251-L383 HydrophobicContact CD1-CB 4.29Å; F251-L383 HydrophobicContact CD1-CD1 4.48Å; Q252-L383 CarbonylContact O-C 3.55Å; Q252-L383 WeakPolarHBondContact O-CA 3.29Å; Y253-L383 HydrophobicContact CD1-CD2 4.37Å; Y381-L383 HydrophobicContact CD2-CD2 4.03Å; Y381-L383 HydrophobicContact CD2-CG 4.17Å; Y381-L383 HydrophobicContact CE2-CD1 4.33Å; Y381-L383 HydrophobicContact CE2-CD2 4.23Å; Y381-L383 HydrophobicContact CE2-CG 4.19Å | ||
| 384 | G | 90.2 | Very high | 80.2 | Confident | 40 Ų | 40 | 62.2 Ų | 62.2 | 41% | 0.412 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 145.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | F251 Q252 | F251-G384 CarbonylContact C-O 3.59Å; F251-G384 WeakPolarHBondContact CA-O 3.35Å; Q252-G384 PolarHBondContact N-O 2.93Å; Q252-G384 PolarHBondContact O-N 3.49Å |
| 385 | L | 90.9 | Very high | 78 | Confident | 68 Ų | 68 | 63.8 Ų | 63.8 | 36% | 0.356 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.9 | 174.3 | 177.7 | 67.1 | 0 | 0 | 0 | 108.1 | F129 F251 E387 | F129-L385 HydrophobicContact CD2-CD1 4.41Å; F129-L385 HydrophobicContact CD2-CD2 3.79Å; F129-L385 HydrophobicContact CE2-CD1 4.37Å; F129-L385 HydrophobicContact CE2-CD2 3.87Å; F251-L385 HydrophobicContact CD1-CB 4.34Å; F251-L385 HydrophobicContact CD1-CD1 3.97Å; F251-L385 HydrophobicContact CE1-CB 4.31Å; F251-L385 HydrophobicContact CE1-CD1 3.8Å; F251-L385 HydrophobicContact CE1-CG 4.49Å; F251-L385 HydrophobicContact CG-CD1 4.44Å; F251-L385 HydrophobicContact CZ-CD1 4.12Å; L385-E387 HydrophobicContact CD1-CG 4.32Å; L385-E387 HydrophobicContact CD2-CG 3.86Å; L385-E387 WeakPolarHBondContact CD2-OE1 3.45Å; L385-E387 HydrophobicContact CG-CG 3.76Å |
| 386 | T | 90.3 | Very high | 76 | Confident | 18 Ų | 18 | 61.6 Ų | 61.6 | 11% | 0.11 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 125.5 | 168.7 | -60 | 0 | 0 | 0 | 0 | 107.8 | E235 V238 S249 A250 Q252 | E235-T386 HydrophobicContact CG-CG2 3.95Å; V238-T386 HydrophobicContact CB-CG2 3.95Å; V238-T386 HydrophobicContact CG1-CG2 3.97Å; V238-T386 HydrophobicContact CG2-CG2 4.4Å; S249-T386 VanDerWaalsContact CA-O 3.29Å; S249-T386 WeakPolarHBondContact CA-O 3.12Å; A250-T386 PolarHBondContact N-O 3.12Å; A250-T386 PolarHBondContact O-N 3.47Å; Q252-T386 PolarHBondContact NE2-OG1 2.83Å |
| 387 | E | 89.4 | Confident | 73.8 | Confident | 73 Ų | 73 | 61.8 Ų | 61.8 | 34% | 0.341 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 132.2 | 175.5 | -55.1 | -167.6 | -111 | 0 | 0 | 109.5 | K133 S249 L385 | K133-E387 WeakPolarHBondContact CE-OE2 3.21Å; K133-E387 IonicContact NZ-OE1 3.88Å; K133-E387 IonicContact NZ-OE2 2.71Å; K133-E387 PolarHBondContact NZ-OE2 3.19Å; S249-E387 PolarHBondContact OG-OE2 2.89Å; L385-E387 HydrophobicContact CD1-CG 4.32Å; L385-E387 HydrophobicContact CD2-CG 3.86Å; L385-E387 WeakPolarHBondContact CD2-OE1 3.45Å; L385-E387 HydrophobicContact CG-CG 3.76Å |
| 388 | V | 85.2 | Confident | 72 | Confident | 6 Ų | 6 | 57.1 Ų | 57.1 | 4% | 0.036 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 114.7 | 165.7 | 169.4 | 0 | 0 | 0 | 0 | 107.2 | V238 F241 K242 N247 V248 | V238-V388 HydrophobicContact CG1-CB 4.48Å; V238-V388 HydrophobicContact CG1-CG2 3.96Å; V238-V388 WeakPolarHBondContact O-CG2 3.27Å; F241-V388 HydrophobicContact CB-CG1 4.38Å; K242-V388 VanDerWaalsContact CA-CG1 3.47Å; K242-V388 HydrophobicContact CB-CG1 4.2Å; K242-V388 HydrophobicContact CG-CB 4.43Å; K242-V388 HydrophobicContact CG-CG1 3.72Å; K242-V388 HydrophobicContact CG-CG2 3.81Å; N247-V388 VanDerWaalsContact CA-O 3.28Å; N247-V388 WeakPolarHBondContact CA-O 3.44Å; V248-V388 PolarHBondContact N-O 3.32Å; V248-V388 PolarHBondContact O-N 3.43Å |
| 389 | E | 77 | Confident | 70.5 | Confident | 120 Ų | 120 | 58.2 Ų | 58.2 | 56% | 0.561 | 32% | 0.317 | S | S | * | . | trans | -105.3 | 136.9 | 176.4 | -64.3 | -174.8 | 164.9 | 0 | 0 | 109.7 | K133 N247 S391 | K133-E389 IonicContact NZ-OE1 3.31Å; K133-E389 PolarHBondContact NZ-OE1 2.8Å; N247-E389 WeakPolarHBondContact OD1-CA 3.27Å; E389-S391 PolarHBondContact O-N 2.68Å | ||
| 390 | F | 65.4 | Low | 68.4 | Low | 86 Ų | 86 | 59.5 Ų | 59.5 | 38% | 0.377 | 32% | 0.322 | S | S | . | . | trans | -65.4 | 125.3 | 176.2 | 172.9 | -112.3 | 0 | 0 | 0 | 111.2 | G244 L245 N247 G392 | G244-F390 WeakPolarHBondContact O-CD2 3.28Å; L245-F390 HydrophobicContact CD2-CD2 3.74Å; L245-F390 HydrophobicContact CD2-CE1 4.37Å; L245-F390 HydrophobicContact CD2-CE2 3.13Å; L245-F390 HydrophobicContact CD2-CZ 3.49Å; L245-F390 VanDerWaalsContact CD2-CZ 3.49Å; N247-F390 PolarHBondContact OD1-N 3.31Å; F390-G392 VanDerWaalsContact CE1-CA 3.44Å | ||
| 391 | S | 51.6 | Low | 66.7 | Low | 93 Ų | 93 | 60.3 Ų | 60.3 | 65% | 0.65 | 33% | 0.326 | S | S | * | . | trans | -95.5 | 0.9 | -175.1 | 71.9 | 0 | 0 | 0 | 0 | 116 | E389 I393 | E389-S391 PolarHBondContact O-N 2.68Å; S391-I393 VanDerWaalsContact C-N 3.29Å; S391-I393 PolarHBondContact O-N 3.04Å; S391-I393 VanDerWaalsContact O-N 3.15Å | ||
| 392 | G | 48.4 | Very low | 65.9 | Low | 43 Ų | 43 | 58.6 Ų | 58.6 | 44% | 0.443 | 32% | 0.321 | S | S | . | . | trans | 74.6 | -4.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 118 | F390 | F390-G392 VanDerWaalsContact CE1-CA 3.44Š| ||
| 393 | I | 40.3 | Very low | 65.6 | Low | 110 Ų | 110 | 59.6 Ų | 59.6 | 56% | 0.564 | 31% | 0.314 | S | S | * | . | trans | -115.6 | 121.7 | -170.8 | -59.8 | 168.6 | 0 | 0 | 0 | 111.4 | S391 | S391-I393 VanDerWaalsContact C-N 3.29Å; S391-I393 PolarHBondContact O-N 3.04Å; S391-I393 VanDerWaalsContact O-N 3.15Å | ||
| 394 | W | 44.7 | Very low | 65.6 | Low | 33 Ų | 33 | 57.4 Ų | 57.4 | 13% | 0.125 | 30% | 0.303 | C | S | . | . | trans | -89.8 | 131.2 | 174 | -54.7 | 96.4 | 0 | 0 | 0 | 112.2 | L245 D473 L738 | L245-W394 HydrophobicContact CD1-CZ2 4.5Å; L245-W394 HydrophobicContact CD2-CH2 3.78Å; L245-W394 HydrophobicContact CD2-CZ2 3.8Å; L245-W394 HydrophobicContact CG-CH2 4.4Å; W394-D473 VanDerWaalsContact CA-OD2 3.22Å; W394-D473 WeakPolarHBondContact CA-OD2 3.17Å; W394-D473 HydrophobicContact CE3-CB 3.65Å; W394-D473 HydrophobicContact CZ3-CB 4.26Å; W394-L738 HydrophobicContact CD2-CD1 4.07Å; W394-L738 HydrophobicContact CE3-CD1 3.76Å; W394-L738 HydrophobicContact CH2-CD1 4.37Å; W394-L738 HydrophobicContact CH2-CG 4.31Å; W394-L738 HydrophobicContact CZ3-CD1 3.92Å; W394-L738 HydrophobicContact CZ3-CG 4.29Å | ||
| 395 | R | 43.4 | Very low | 65.7 | Low | 121 Ų | 121 | 55.7 Ų | 55.7 | 46% | 0.457 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 111.3 | 178.7 | -66.1 | 172.7 | 177.4 | 166.3 | 5.4 | 109.2 | A472 D473 | R395-A472 CarbonylContact O-C 3.48Å; R395-A472 VanDerWaalsContact O-CA 3.3Å; R395-A472 WeakPolarHBondContact O-CA 3.43Å; R395-D473 PolarHBondContact N-OD2 2.9Å; R395-D473 PolarHBondContact O-N 3.41Å |
| 396 | G | 45.3 | Very low | 65.8 | Low | 7 Ų | 7 | 52.6 Ų | 52.6 | 7% | 0.072 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136.7 | 171 | 0 | 0 | 0 | 0 | 0 | 111.3 | V442 K444 L474 | G396-V442 PolarHBondContact N-O 2.9Å; G396-K444 PolarHBondContact O-N 2.93Å; G396-L474 CarbonylContact C-O 3.47Å; G396-L474 WeakPolarHBondContact CA-O 3.5Å |
| 397 | S | 44.9 | Very low | 65.7 | Low | 4 Ų | 4 | 53 Ų | 53 | 3% | 0.028 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 140.9 | 169.1 | -79.7 | 0 | 0 | 0 | 0 | 111.5 | K444 E466 A472 L474 A475 V476 | S397-K444 CarbonylContact C-O 3.57Å; S397-K444 VanDerWaalsContact CA-O 3.28Å; S397-K444 WeakPolarHBondContact CA-O 3.31Å; S397-E466 VanDerWaalsContact CB-OE2 3.24Å; S397-E466 WeakPolarHBondContact CB-OE2 2.93Å; S397-E466 PolarHBondContact OG-OE2 2.8Å; S397-A472 VanDerWaalsContact CB-CB 3.44Å; S397-A472 WeakPolarHBondContact OG-CB 3.5Å; S397-L474 PolarHBondContact N-O 2.99Å; S397-A475 WeakPolarHBondContact O-CA 3.33Å; S397-V476 PolarHBondContact O-N 3.17Å |
| 398 | V | 52.9 | Low | 65.7 | Low | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 152.5 | -178 | -173.9 | 0 | 0 | 0 | 0 | 109.9 | F406 M429 V443 K444 P445 V446 V476 | V398-F406 HydrophobicContact CB-CD2 4.05Å; V398-F406 HydrophobicContact CB-CE1 4.41Å; V398-F406 HydrophobicContact CB-CE2 3.91Å; V398-F406 HydrophobicContact CB-CG 4.33Å; V398-F406 HydrophobicContact CB-CZ 4.08Å; V398-F406 HydrophobicContact CG1-CB 3.7Å; V398-F406 HydrophobicContact CG1-CD1 3.81Å; V398-F406 HydrophobicContact CG1-CD2 3.2Å; V398-F406 HydrophobicContact CG1-CE1 4.15Å; V398-F406 HydrophobicContact CG1-CE2 3.6Å; V398-F406 HydrophobicContact CG1-CG 3.29Å; V398-F406 HydrophobicContact CG1-CZ 4.04Å; V398-F406 HydrophobicContact CG2-CD2 4.46Å; V398-F406 HydrophobicContact CG2-CE2 4.17Å; V398-M429 HydrophobicContact CG2-CE 3.92Å; V398-M429 HydrophobicContact CG2-SD 4.07Å; V398-V443 HydrophobicContact CB-CG1 4.39Å; V398-V443 HydrophobicContact CG2-CG1 3.91Å; V398-K444 PolarHBondContact N-O 3.22Å; V398-P445 CarbonylContact O-C 3.39Å; V398-P445 WeakPolarHBondContact O-CA 3.34Å; V398-V446 PolarHBondContact O-N 3.3Å; V398-V476 VanDerWaalsContact CG1-O 3.27Å; V398-V476 WeakPolarHBondContact CG1-O 3.08Å |
| 399 | K | 60.7 | Low | 65.8 | Low | 35 Ų | 35 | 56 Ų | 56 | 15% | 0.152 | 29% | 0.285 | C | S | . | . | trans | -86 | 125.6 | 177.1 | -176.7 | 180 | 166.1 | -178 | 0 | 111.6 | Q401 F406 V446 N449 Y451 M463 | K399-Q401 PolarHBondContact O-N 3.39Å; K399-F406 VanDerWaalsContact O-CD1 3.29Å; K399-F406 WeakPolarHBondContact O-CD1 3.41Å; K399-V446 HydrophobicContact CB-CG1 4.2Å; K399-V446 HydrophobicContact CG-CG1 4.29Å; K399-N449 WeakPolarHBondContact CE-O 3.35Å; K399-Y451 HydrophobicContact CD-CD1 4.35Å; K399-Y451 HydrophobicContact CD-CD2 4.22Å; K399-Y451 HydrophobicContact CD-CE1 3.92Å; K399-Y451 HydrophobicContact CD-CE2 3.81Å; K399-Y451 HydrophobicContact CD-CG 4.46Å; K399-M463 HydrophobicContact CB-CE 3.84Å; K399-M463 HydrophobicContact CB-SD 3.96Å | ||
| 400 | L | 48.4 | Very low | 66.2 | Low | 58 Ų | 58 | 60.5 Ų | 60.5 | 30% | 0.304 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -66.3 | -32.9 | -170.9 | -163.5 | 80.5 | 0 | 0 | 0 | 114.5 | F406 Y421 P445 N449 | L400-F406 HydrophobicContact CD1-CE1 4.23Å; L400-Y421 HydrophobicContact CD1-CE1 4.19Å; L400-P445 HydrophobicContact CB-CB 3.92Å; L400-P445 HydrophobicContact CD1-CB 3.58Å; L400-P445 HydrophobicContact CD1-CG 4.01Å; L400-P445 HydrophobicContact CG-CB 4.28Å; L400-N449 WeakPolarHBondContact CB-OD1 3.09Å |
| 401 | Q | 57.4 | Low | 67.1 | Low | 150 Ų | 150 | 59.9 Ų | 59.9 | 70% | 0.701 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -118.5 | 84.8 | -175.2 | -70.8 | -173.9 | -17.5 | 0 | 0 | 111.4 | K399 | K399-Q401 PolarHBondContact O-N 3.39Š|
| 402 | N | 74.3 | Confident | 68.6 | Low | 19 Ų | 19 | 55.7 Ų | 55.7 | 10% | 0.102 | 27% | 0.274 | C | S | . | . | B | Isolated β-bridge | trans | -155.1 | 77.6 | 177.6 | -172.1 | 34.3 | 0 | 0 | 0 | 111.6 | F405 F406 Y451 S478 | N402-F405 WeakPolarHBondContact ND2-CB 3.21Å; N402-F405 WeakPolarHBondContact ND2-CD2 3.43Å; N402-F405 WeakPolarHBondContact O-CA 3.34Å; N402-F405 WeakPolarHBondContact O-CB 3.34Å; N402-F405 PolarHBondContact O-N 3Å; N402-F406 PolarHBondContact O-N 3.31Å; N402-Y451 VanDerWaalsContact CG-OH 3.23Å; N402-Y451 PolarHBondContact ND2-OH 3.19Å; N402-Y451 PolarHBondContact OD1-OH 2.94Å; N402-S478 VanDerWaalsContact ND2-CB 3.34Å; N402-S478 WeakPolarHBondContact ND2-CB 3.31Å; N402-S478 PolarHBondContact ND2-OG 3.39Å; N402-S478 PolarHBondContact OD1-OG 3.46Å |
| 403 | E | 86.3 | Confident | 70.3 | Confident | 121 Ų | 121 | 61.4 Ų | 61.4 | 57% | 0.565 | 29% | 0.294 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | 140.9 | 178 | -50.1 | -171.6 | 159.1 | 0 | 0 | 111.5 | M407 Y707 | E403-M407 HydrophobicContact CB-CG 4.3Å; E403-M407 HydrophobicContact CB-SD 3.86Å; E403-M407 HydrophobicContact CG-CG 3.85Å; E403-M407 HydrophobicContact CG-SD 3.7Å; E403-Y707 HydrophobicContact CB-CD1 4.44Å; E403-Y707 HydrophobicContact CB-CE1 3.61Å |
| 404 | P | 90.6 | Very high | 72.3 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 30% | 0.302 | C | S | . | . | T | Hydrogen-bonded Turn | cis | -90.8 | 12.1 | -8.1 | 35.2 | -32.1 | 0 | 0 | 0 | 113.8 | M407 G423 F424 Y707 W762 W763 | P404-M407 HydrophobicContact CB-CE 4.21Å; P404-G423 CarbonylContact O-C 3.47Å; P404-G423 WeakPolarHBondContact O-CA 3.49Å; P404-F424 PolarHBondContact O-N 3.1Å; P404-Y707 HydrophobicContact CB-CD2 3.9Å; P404-Y707 HydrophobicContact CB-CE2 3.34Å; P404-Y707 HydrophobicContact CG-CD2 3.47Å; P404-Y707 VanDerWaalsContact CG-CD2 3.47Å; P404-Y707 HydrophobicContact CG-CE2 3.49Å; P404-Y707 VanDerWaalsContact CG-CE2 3.49Å; P404-Y707 HydrophobicContact CG-CG 4.13Å; P404-W762 HydrophobicContact CB-CB 4.21Å; P404-W762 HydrophobicContact CB-CE3 4.24Å; P404-W762 HydrophobicContact CG-CB 4.32Å; P404-W763 HydrophobicContact CG-CD2 4.02Å; P404-W763 HydrophobicContact CG-CE3 3.95Å; P404-W763 HydrophobicContact CG-CH2 3.57Å; P404-W763 HydrophobicContact CG-CZ2 3.63Å; P404-W763 HydrophobicContact CG-CZ3 3.73Å |
| 405 | F | 93.1 | Very high | 74.3 | Confident | 4 Ų | 4 | 64.5 Ų | 64.5 | 2% | 0.018 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -46 | -175.2 | -64.3 | -84.1 | 0 | 0 | 0 | 111.9 | N402 G423 F424 C425 L496 Y728 W763 | N402-F405 WeakPolarHBondContact ND2-CB 3.21Å; N402-F405 WeakPolarHBondContact ND2-CD2 3.43Å; N402-F405 WeakPolarHBondContact O-CA 3.34Å; N402-F405 WeakPolarHBondContact O-CB 3.34Å; N402-F405 PolarHBondContact O-N 3Å; F405-G423 CarbonylContact O-C 3.46Å; F405-G423 WeakPolarHBondContact O-CA 3.4Å; F405-F424 HydrophobicContact CD1-CB 4.45Å; F405-F424 HydrophobicContact CD1-CD1 4.16Å; F405-F424 HydrophobicContact CE1-CD1 4.43Å; F405-F424 PolarHBondContact O-N 2.86Å; F405-C425 HydrophobicContact CB-CB 4.5Å; F405-C425 VanDerWaalsContact O-CB 3.29Å; F405-C425 WeakPolarHBondContact O-CB 3.42Å; F405-C425 PolarHBondContact O-N 2.89Å; F405-L496 HydrophobicContact CE1-CD2 3.81Å; F405-L496 HydrophobicContact CZ-CD2 3.96Å; F405-Y728 AromaticContact CE1-CD2 3.92Å; F405-Y728 HydrophobicContact CE1-CD2 3.92Å; F405-Y728 AromaticContact CE1-CE2 3.94Å; F405-Y728 HydrophobicContact CE1-CE2 3.94Å; F405-Y728 HydrophobicContact CE2-CE2 4.34Å; F405-Y728 AromaticContact CZ-CD2 3.97Å; F405-Y728 HydrophobicContact CZ-CD2 3.97Å; F405-Y728 AromaticContact CZ-CE2 3.48Å; F405-Y728 HydrophobicContact CZ-CE2 3.48Å; F405-Y728 VanDerWaalsContact CZ-CE2 3.48Å; F405-W763 HydrophobicContact CD1-CH2 4.23Å; F405-W763 AromaticContact CE1-CH2 3.64Å; F405-W763 HydrophobicContact CE1-CH2 3.64Å; F405-W763 HydrophobicContact CE1-CZ2 4.15Å; F405-W763 HydrophobicContact CE2-CH2 4.08Å; F405-W763 AromaticContact CE2-CZ2 3.89Å; F405-W763 HydrophobicContact CE2-CZ2 3.89Å; F405-W763 AromaticContact CZ-CH2 3.53Å; F405-W763 HydrophobicContact CZ-CH2 3.53Å; F405-W763 AromaticContact CZ-CZ2 3.54Å; F405-W763 HydrophobicContact CZ-CZ2 3.54Å |
| 406 | F | 91.5 | Very high | 76.3 | Confident | 2 Ų | 2 | 64.2 Ų | 64.2 | 1% | 0.009 | 32% | 0.323 | C | S | . | . | B | Isolated β-bridge | trans | -150.7 | 124.1 | -178.1 | -166.7 | -96.5 | 0 | 0 | 0 | 111.2 | V398 K399 L400 N402 Y421 V426 V443 | V398-F406 HydrophobicContact CB-CD2 4.05Å; V398-F406 HydrophobicContact CB-CE1 4.41Å; V398-F406 HydrophobicContact CB-CE2 3.91Å; V398-F406 HydrophobicContact CB-CG 4.33Å; V398-F406 HydrophobicContact CB-CZ 4.08Å; V398-F406 HydrophobicContact CG1-CB 3.7Å; V398-F406 HydrophobicContact CG1-CD1 3.81Å; V398-F406 HydrophobicContact CG1-CD2 3.2Å; V398-F406 HydrophobicContact CG1-CE1 4.15Å; V398-F406 HydrophobicContact CG1-CE2 3.6Å; V398-F406 HydrophobicContact CG1-CG 3.29Å; V398-F406 HydrophobicContact CG1-CZ 4.04Å; V398-F406 HydrophobicContact CG2-CD2 4.46Å; V398-F406 HydrophobicContact CG2-CE2 4.17Å; K399-F406 VanDerWaalsContact O-CD1 3.29Å; K399-F406 WeakPolarHBondContact O-CD1 3.41Å; L400-F406 HydrophobicContact CD1-CE1 4.23Å; N402-F406 PolarHBondContact O-N 3.31Å; F406-Y421 AromaticContact CE1-CD1 3.47Å; F406-Y421 HydrophobicContact CE1-CD1 3.47Å; F406-Y421 VanDerWaalsContact CE1-CD1 3.47Å; F406-Y421 AromaticContact CE1-CE1 3.84Å; F406-Y421 HydrophobicContact CE1-CE1 3.84Å; F406-Y421 HydrophobicContact CE1-CG 4.02Å; F406-Y421 HydrophobicContact CE2-CD1 4.14Å; F406-Y421 HydrophobicContact CE2-CD2 4.35Å; F406-Y421 AromaticContact CE2-CG 3.81Å; F406-Y421 HydrophobicContact CE2-CG 3.81Å; F406-Y421 AromaticContact CZ-CD1 3.23Å; F406-Y421 HydrophobicContact CZ-CD1 3.23Å; F406-Y421 AromaticContact CZ-CD2 3.83Å; F406-Y421 HydrophobicContact CZ-CD2 3.83Å; F406-Y421 AromaticContact CZ-CE1 3.73Å; F406-Y421 HydrophobicContact CZ-CE1 3.73Å; F406-Y421 HydrophobicContact CZ-CE2 4.26Å; F406-Y421 AromaticContact CZ-CG 3.28Å; F406-Y421 HydrophobicContact CZ-CG 3.28Å; F406-V426 HydrophobicContact CD2-CG2 3.4Å; F406-V426 HydrophobicContact CE2-CG2 3.6Å; F406-V426 HydrophobicContact CG-CG2 4.48Å; F406-V443 HydrophobicContact CE2-CG1 3.45Å; F406-V443 VanDerWaalsContact CE2-CG1 3.45Å; F406-V443 HydrophobicContact CZ-CG1 3.45Å; F406-V443 VanDerWaalsContact CZ-CG1 3.45Å |
| 407 | M | 90 | Very high | 78.2 | Confident | 26 Ų | 26 | 66.4 Ų | 66.4 | 13% | 0.128 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 149.8 | -175.9 | -64 | 173.1 | -67.6 | 0 | 0 | 109.6 | E403 P404 Y421 E422 W762 | E403-M407 HydrophobicContact CB-CG 4.3Å; E403-M407 HydrophobicContact CB-SD 3.86Å; E403-M407 HydrophobicContact CG-CG 3.85Å; E403-M407 HydrophobicContact CG-SD 3.7Å; P404-M407 HydrophobicContact CB-CE 4.21Å; M407-Y421 WeakPolarHBondContact O-CA 3.19Å; M407-E422 HydrophobicContact CB-CG 4.36Å; M407-E422 HydrophobicContact CE-CG 4.46Å; M407-E422 PolarHBondContact N-O 2.95Å; M407-E422 PolarHBondContact O-N 3.34Å; M407-E422 VanDerWaalsContact O-O 3.1Å; M407-W762 HydrophobicContact CE-CE3 4.04Å; M407-W762 HydrophobicContact CE-CH2 4.41Å; M407-W762 HydrophobicContact CE-CZ3 3.56Å |
| 408 | L | 88.3 | Confident | 80.3 | Confident | 99 Ų | 99 | 68 Ų | 68 | 52% | 0.518 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.9 | 133.1 | 165.1 | -164.5 | 74.9 | 0 | 0 | 0 | 108.2 | A412 K420 Y421 | L408-A412 HydrophobicContact CD1-CB 3.66Å; L408-A412 HydrophobicContact CD2-CB 3.91Å; L408-A412 HydrophobicContact CG-CB 3.49Å; L408-A412 VanDerWaalsContact CG-CB 3.49Å; L408-K420 HydrophobicContact CD1-CB 4.45Å; L408-Y421 HydrophobicContact CD1-CD1 4.03Å; L408-Y421 HydrophobicContact CD1-CE1 3.88Å |
| 409 | K | 88 | Confident | 82 | Confident | 45 Ų | 45 | 72.8 Ų | 72.8 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | trans | -59.6 | 147.3 | 171.4 | -72.4 | -177.2 | -179.2 | 167.2 | 0 | 110 | D411 A412 F415 D419 K420 E422 | K409-D411 WeakPolarHBondContact CB-OD1 3.47Å; K409-D411 PolarHBondContact O-N 2.94Å; K409-D411 VanDerWaalsContact O-N 3.16Å; K409-A412 HydrophobicContact CB-CB 4.32Å; K409-A412 VanDerWaalsContact O-CB 3.26Å; K409-A412 WeakPolarHBondContact O-CB 3.49Å; K409-A412 PolarHBondContact O-N 3.47Å; K409-A412 VanDerWaalsContact O-N 3.12Å; K409-F415 HydrophobicContact CD-CD2 4.08Å; K409-F415 HydrophobicContact CD-CE2 4.03Å; K409-D419 WeakPolarHBondContact CD-O 3.39Å; K409-D419 VanDerWaalsContact CE-O 3.23Å; K409-D419 WeakPolarHBondContact CE-O 3.41Å; K409-D419 PolarHBondContact NZ-O 3.29Å; K409-K420 PolarHBondContact N-O 3.4Å; K409-E422 HydrophobicContact CG-CB 3.81Å; K409-E422 HydrophobicContact CG-CG 3.84Å | ||
| 410 | K | 84 | Confident | 83.4 | Confident | 213 Ų | 213 | 74.6 Ų | 74.6 | 93% | 0.926 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -29.1 | 177.1 | -67.7 | -176.1 | 178.8 | 179.9 | 0 | 112.7 | ||
| 411 | D | 85.9 | Confident | 85.5 | Confident | 73 Ų | 73 | 73.5 Ų | 73.5 | 39% | 0.39 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.4 | 29.9 | -179.5 | 60.4 | -25.4 | 0 | 0 | 0 | 112.4 | K409 D413 L414 F415 | K409-D411 WeakPolarHBondContact CB-OD1 3.47Å; K409-D411 PolarHBondContact O-N 2.94Å; K409-D411 VanDerWaalsContact O-N 3.16Å; D411-D413 PolarHBondContact O-N 3.38Å; D411-L414 HydrophobicContact CB-CD1 3.96Å; D411-L414 HydrophobicContact CB-CG 4.48Å; D411-L414 WeakPolarHBondContact O-CB 3.24Å; D411-L414 PolarHBondContact O-N 3.25Å; D411-F415 WeakPolarHBondContact OD2-CE2 3.48Å |
| 412 | A | 81.5 | Confident | 87.2 | Confident | 6 Ų | 6 | 68.9 Ų | 68.9 | 5% | 0.05 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -58.2 | -20.7 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | L408 K409 L414 F415 K420 | L408-A412 HydrophobicContact CD1-CB 3.66Å; L408-A412 HydrophobicContact CD2-CB 3.91Å; L408-A412 HydrophobicContact CG-CB 3.49Å; L408-A412 VanDerWaalsContact CG-CB 3.49Å; K409-A412 HydrophobicContact CB-CB 4.32Å; K409-A412 VanDerWaalsContact O-CB 3.26Å; K409-A412 WeakPolarHBondContact O-CB 3.49Å; K409-A412 PolarHBondContact O-N 3.47Å; K409-A412 VanDerWaalsContact O-N 3.12Å; A412-L414 PolarHBondContact O-N 2.9Å; A412-F415 PolarHBondContact O-N 3.41Å; A412-K420 HydrophobicContact CB-CB 4.29Å |
| 413 | D | 84 | Confident | 88 | Confident | 163 Ų | 163 | 68 Ų | 68 | 87% | 0.872 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -66.7 | -22.4 | 174.6 | -64.4 | -35.6 | 0 | 0 | 0 | 113 | D411 | D411-D413 PolarHBondContact O-N 3.38Š|
| 414 | L | 83.7 | Confident | 88.5 | Confident | 140 Ų | 140 | 62.2 Ų | 62.2 | 73% | 0.733 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -81 | -14.7 | 177.9 | -62 | 176.7 | 0 | 0 | 0 | 113.6 | D411 A412 | D411-L414 HydrophobicContact CB-CD1 3.96Å; D411-L414 HydrophobicContact CB-CG 4.48Å; D411-L414 WeakPolarHBondContact O-CB 3.24Å; D411-L414 PolarHBondContact O-N 3.25Å; A412-L414 PolarHBondContact O-N 2.9Å |
| 415 | F | 86.2 | Confident | 88.7 | Confident | 68 Ų | 68 | 62.2 Ų | 62.2 | 30% | 0.298 | 33% | 0.325 | S | S | . | . | trans | -111.2 | 158.2 | -174.8 | -63.7 | -78.3 | 0 | 0 | 0 | 111.5 | K409 D411 A412 D419 K420 | K409-F415 HydrophobicContact CD-CD2 4.08Å; K409-F415 HydrophobicContact CD-CE2 4.03Å; D411-F415 WeakPolarHBondContact OD2-CE2 3.48Å; A412-F415 PolarHBondContact O-N 3.41Å; F415-D419 HydrophobicContact CB-CB 3.97Å; F415-D419 HydrophobicContact CD1-CB 4Å; F415-D419 HydrophobicContact CG-CB 4.26Å; F415-K420 HydrophobicContact CB-CG 4.15Å; F415-K420 WeakPolarHBondContact O-CE 3.44Å; F415-K420 WeakPolarHBondContact O-CG 3.47Å | ||
| 416 | T | 84.3 | Confident | 88.7 | Confident | 115 Ų | 115 | 62.8 Ų | 62.8 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | trans | -124.2 | 154.4 | 175.1 | 60.3 | 0 | 0 | 0 | 0 | 110.9 | D419 | T416-D419 PolarHBondContact O-N 3.49Š| ||
| 417 | G | 86.6 | Confident | 88.8 | Confident | 52 Ų | 52 | 64.4 Ų | 64.4 | 54% | 0.536 | 34% | 0.338 | S | S | . | . | G | 310 helix | trans | 62.4 | -136.1 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | D419 | G417-D419 VanDerWaalsContact C-N 3.25Å; G417-D419 PolarHBondContact O-N 3.01Å |
| 418 | N | 88.4 | Confident | 89.1 | Confident | 37 Ų | 37 | 63.2 Ų | 63.2 | 20% | 0.198 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -67.9 | -24.3 | -175.8 | -63 | -11.6 | 0 | 0 | 0 | 112.9 | K420 Y421 Y441 V443 | N418-K420 PolarHBondContact O-N 2.87Å; N418-K420 VanDerWaalsContact O-N 3.09Å; N418-Y421 PolarHBondContact O-N 3.25Å; N418-Y421 VanDerWaalsContact O-N 3.14Å; N418-Y441 WeakPolarHBondContact ND2-CE2 3.47Å; N418-Y441 PolarHBondContact ND2-O 3.4Å; N418-V443 HydrophobicContact CB-CG2 4.25Å; N418-V443 PolarHBondContact OD1-N 3.48Å |
| 419 | D | 89.1 | Confident | 89.3 | Confident | 102 Ų | 102 | 59.2 Ų | 59.2 | 55% | 0.545 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -69.1 | -9 | -175.4 | -67.9 | -31.2 | 0 | 0 | 0 | 113.5 | K409 F415 T416 G417 Y421 | K409-D419 WeakPolarHBondContact CD-O 3.39Å; K409-D419 VanDerWaalsContact CE-O 3.23Å; K409-D419 WeakPolarHBondContact CE-O 3.41Å; K409-D419 PolarHBondContact NZ-O 3.29Å; F415-D419 HydrophobicContact CB-CB 3.97Å; F415-D419 HydrophobicContact CD1-CB 4Å; F415-D419 HydrophobicContact CG-CB 4.26Å; T416-D419 PolarHBondContact O-N 3.49Å; G417-D419 VanDerWaalsContact C-N 3.25Å; G417-D419 PolarHBondContact O-N 3.01Å; D419-Y421 PolarHBondContact O-N 3.33Å |
| 420 | K | 90.3 | Very high | 89.6 | Confident | 73 Ų | 73 | 62.7 Ų | 62.7 | 32% | 0.317 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -67.6 | -21.3 | 172 | -67.7 | -168 | 167.3 | -167.3 | 0 | 113.7 | L408 K409 A412 F415 N418 | L408-K420 HydrophobicContact CD1-CB 4.45Å; K409-K420 PolarHBondContact N-O 3.4Å; A412-K420 HydrophobicContact CB-CB 4.29Å; F415-K420 HydrophobicContact CB-CG 4.15Å; F415-K420 WeakPolarHBondContact O-CE 3.44Å; F415-K420 WeakPolarHBondContact O-CG 3.47Å; N418-K420 PolarHBondContact O-N 2.87Å; N418-K420 VanDerWaalsContact O-N 3.09Å |
| 421 | Y | 91.8 | Very high | 90.1 | Very high | 35 Ų | 35 | 53.8 Ų | 53.8 | 14% | 0.137 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 151.6 | -172 | -51.7 | -70.6 | 0 | 0 | 0 | 111.2 | L400 F406 M407 L408 N418 D419 V443 | L400-Y421 HydrophobicContact CD1-CE1 4.19Å; F406-Y421 AromaticContact CE1-CD1 3.47Å; F406-Y421 HydrophobicContact CE1-CD1 3.47Å; F406-Y421 VanDerWaalsContact CE1-CD1 3.47Å; F406-Y421 AromaticContact CE1-CE1 3.84Å; F406-Y421 HydrophobicContact CE1-CE1 3.84Å; F406-Y421 HydrophobicContact CE1-CG 4.02Å; F406-Y421 HydrophobicContact CE2-CD1 4.14Å; F406-Y421 HydrophobicContact CE2-CD2 4.35Å; F406-Y421 AromaticContact CE2-CG 3.81Å; F406-Y421 HydrophobicContact CE2-CG 3.81Å; F406-Y421 AromaticContact CZ-CD1 3.23Å; F406-Y421 HydrophobicContact CZ-CD1 3.23Å; F406-Y421 AromaticContact CZ-CD2 3.83Å; F406-Y421 HydrophobicContact CZ-CD2 3.83Å; F406-Y421 AromaticContact CZ-CE1 3.73Å; F406-Y421 HydrophobicContact CZ-CE1 3.73Å; F406-Y421 HydrophobicContact CZ-CE2 4.26Å; F406-Y421 AromaticContact CZ-CG 3.28Å; F406-Y421 HydrophobicContact CZ-CG 3.28Å; M407-Y421 WeakPolarHBondContact O-CA 3.19Å; L408-Y421 HydrophobicContact CD1-CD1 4.03Å; L408-Y421 HydrophobicContact CD1-CE1 3.88Å; N418-Y421 PolarHBondContact O-N 3.25Å; N418-Y421 VanDerWaalsContact O-N 3.14Å; D419-Y421 PolarHBondContact O-N 3.33Å; Y421-V443 HydrophobicContact CD2-CB 4.1Å; Y421-V443 HydrophobicContact CD2-CG1 3.72Å; Y421-V443 HydrophobicContact CE2-CB 4.18Å; Y421-V443 HydrophobicContact CE2-CG1 3.89Å; Y421-V443 HydrophobicContact CG-CG1 4.38Å |
| 422 | E | 92.5 | Very high | 90.5 | Very high | 53 Ų | 53 | 50.7 Ų | 50.7 | 25% | 0.248 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 155.9 | 170.2 | 72.5 | 170.7 | 148.5 | 0 | 0 | 110.5 | M407 K409 W762 K766 | M407-E422 HydrophobicContact CB-CG 4.36Å; M407-E422 HydrophobicContact CE-CG 4.46Å; M407-E422 PolarHBondContact N-O 2.95Å; M407-E422 PolarHBondContact O-N 3.34Å; M407-E422 VanDerWaalsContact O-O 3.1Å; K409-E422 HydrophobicContact CG-CB 3.81Å; K409-E422 HydrophobicContact CG-CG 3.84Å; E422-W762 HydrophobicContact CB-CH2 3.94Å; E422-W762 HydrophobicContact CG-CH2 4.1Å; E422-K766 IonicContact OE2-NZ 3.96Å; E422-K766 PolarHBondContact OE2-NZ 3.14Å; E422-K766 VanDerWaalsContact OE2-NZ 3.14Å |
| 423 | G | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | 146.1 | 172.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | P404 F405 C425 V426 D427 W762 | P404-G423 CarbonylContact O-C 3.47Å; P404-G423 WeakPolarHBondContact O-CA 3.49Å; F405-G423 CarbonylContact O-C 3.46Å; F405-G423 WeakPolarHBondContact O-CA 3.4Å; G423-C425 VanDerWaalsContact C-N 3.34Å; G423-C425 PolarHBondContact O-N 2.89Å; G423-V426 PolarHBondContact O-N 2.88Å; G423-V426 VanDerWaalsContact O-N 3.16Å; G423-D427 PolarHBondContact O-N 2.96Å; G423-W762 VanDerWaalsContact C-CZ2 3.43Å; G423-W762 VanDerWaalsContact CA-CH2 3.43Å; G423-W762 VanDerWaalsContact N-CZ2 3.28Å |
| 424 | F | 95.2 | Very high | 91.3 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -57.5 | -45.5 | 179.3 | 177.9 | -80.5 | 0 | 0 | 0 | 112 | P404 F405 V426 D427 L428 F495 L758 E759 W762 W763 | P404-F424 PolarHBondContact O-N 3.1Å; F405-F424 HydrophobicContact CD1-CB 4.45Å; F405-F424 HydrophobicContact CD1-CD1 4.16Å; F405-F424 HydrophobicContact CE1-CD1 4.43Å; F405-F424 PolarHBondContact O-N 2.86Å; F424-V426 VanDerWaalsContact C-N 3.31Å; F424-V426 PolarHBondContact O-N 3.24Å; F424-D427 PolarHBondContact O-N 2.79Å; F424-L428 HydrophobicContact CE1-CB 4.45Å; F424-L428 HydrophobicContact CE1-CD2 4.11Å; F424-L428 VanDerWaalsContact O-CB 3.26Å; F424-L428 WeakPolarHBondContact O-CB 3.48Å; F424-L428 PolarHBondContact O-N 3.19Å; F424-F495 HydrophobicContact CD1-CE2 4.17Å; F424-F495 AromaticContact CE1-CD2 3.5Å; F424-F495 HydrophobicContact CE1-CD2 3.5Å; F424-F495 VanDerWaalsContact CE1-CD2 3.5Å; F424-F495 AromaticContact CE1-CE2 3.52Å; F424-F495 HydrophobicContact CE1-CE2 3.52Å; F424-F495 HydrophobicContact CZ-CD2 4.08Å; F424-F495 HydrophobicContact CZ-CE2 4.43Å; F424-L758 HydrophobicContact CD2-CB 3.71Å; F424-L758 HydrophobicContact CE2-CB 3.48Å; F424-L758 VanDerWaalsContact CE2-CB 3.48Å; F424-L758 HydrophobicContact CZ-CB 4.33Å; F424-E759 HydrophobicContact CE2-CB 4.35Å; F424-W762 HydrophobicContact CB-CB 4.4Å; F424-W762 HydrophobicContact CB-CG 4.06Å; F424-W763 HydrophobicContact CB-CH2 4.29Å; F424-W763 HydrophobicContact CB-CZ3 3.91Å; F424-W763 HydrophobicContact CD2-CH2 4.35Å; F424-W763 AromaticContact CD2-CZ3 3.59Å; F424-W763 HydrophobicContact CD2-CZ3 3.59Å; F424-W763 HydrophobicContact CE2-CZ3 4.33Å; F424-W763 HydrophobicContact CG-CH2 4.29Å; F424-W763 AromaticContact CG-CZ3 3.88Å; F424-W763 HydrophobicContact CG-CZ3 3.88Å |
| 425 | C | 94.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -69.8 | -29 | 179.3 | -73.2 | 0 | 0 | 0 | 0 | 112.3 | F405 G423 M429 V476 | F405-C425 HydrophobicContact CB-CB 4.5Å; F405-C425 VanDerWaalsContact O-CB 3.29Å; F405-C425 WeakPolarHBondContact O-CB 3.42Å; F405-C425 PolarHBondContact O-N 2.89Å; G423-C425 VanDerWaalsContact C-N 3.34Å; G423-C425 PolarHBondContact O-N 2.89Å; C425-M429 WeakPolarHBondContact O-CB 3.24Å; C425-M429 WeakPolarHBondContact O-CE 3.18Å; C425-M429 VanDerWaalsContact O-CG 3.29Å; C425-M429 WeakPolarHBondContact O-CG 3.49Å; C425-M429 PolarHBondContact O-N 3.33Å; C425-V476 HydrophobicContact CB-CG1 3.8Å |
| 426 | V | 93.5 | Very high | 91.7 | Very high | 17 Ų | 17 | 43.2 Ų | 43.2 | 10% | 0.103 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -67.3 | -48.6 | 175.3 | -175.9 | 0 | 0 | 0 | 0 | 110.6 | F406 G423 F424 L428 M429 K430 | F406-V426 HydrophobicContact CD2-CG2 3.4Å; F406-V426 HydrophobicContact CE2-CG2 3.6Å; F406-V426 HydrophobicContact CG-CG2 4.48Å; G423-V426 PolarHBondContact O-N 2.88Å; G423-V426 VanDerWaalsContact O-N 3.16Å; F424-V426 VanDerWaalsContact C-N 3.31Å; F424-V426 PolarHBondContact O-N 3.24Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 2.91Å; V426-M429 HydrophobicContact CG2-CE 4.47Å; V426-M429 PolarHBondContact O-N 3.47Å; V426-K430 PolarHBondContact O-N 3.15Å |
| 427 | D | 94.6 | Very high | 91.6 | Very high | 36 Ų | 36 | 40.5 Ų | 40.5 | 19% | 0.193 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63.9 | -40.3 | 175.5 | -72.4 | -14.9 | 0 | 0 | 0 | 111.2 | G423 F424 K430 L431 L758 K761 W762 | G423-D427 PolarHBondContact O-N 2.96Å; F424-D427 PolarHBondContact O-N 2.79Å; D427-K430 WeakPolarHBondContact O-CB 3.34Å; D427-K430 PolarHBondContact O-N 3.25Å; D427-L431 PolarHBondContact O-N 3.36Å; D427-L758 HydrophobicContact CB-CD1 4.05Å; D427-L758 HydrophobicContact CB-CD2 3.67Å; D427-K761 IonicContact OD1-NZ 3.2Å; D427-K761 IonicContact OD2-NZ 2.67Å; D427-K761 PolarHBondContact OD2-NZ 3.49Å; D427-W762 WeakPolarHBondContact OD2-CZ2 3.49Å; D427-W762 PolarHBondContact OD2-NE1 3.45Å |
| 428 | L | 95.4 | Very high | 91.5 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -46 | 176.3 | -179.9 | 63.8 | 0 | 0 | 0 | 111.7 | F424 V426 K430 L431 V432 V476 F495 I730 I746 L749 L755 L758 | F424-L428 HydrophobicContact CE1-CB 4.45Å; F424-L428 HydrophobicContact CE1-CD2 4.11Å; F424-L428 VanDerWaalsContact O-CB 3.26Å; F424-L428 WeakPolarHBondContact O-CB 3.48Å; F424-L428 PolarHBondContact O-N 3.19Å; V426-L428 VanDerWaalsContact C-N 3.33Å; V426-L428 PolarHBondContact O-N 2.91Å; L428-K430 VanDerWaalsContact C-N 3.26Å; L428-K430 PolarHBondContact O-N 3.44Å; L428-L431 PolarHBondContact O-N 3.37Å; L428-V432 HydrophobicContact CD1-CG2 3.97Å; L428-V432 HydrophobicContact CG-CG2 4.18Å; L428-V432 WeakPolarHBondContact O-CB 3.47Å; L428-V432 VanDerWaalsContact O-CG2 3.29Å; L428-V432 WeakPolarHBondContact O-CG2 3.12Å; L428-V432 PolarHBondContact O-N 2.94Å; L428-V476 HydrophobicContact CD2-CG1 4.25Å; L428-F495 HydrophobicContact CD2-CB 4.1Å; L428-F495 HydrophobicContact CD2-CD1 3.83Å; L428-F495 HydrophobicContact CD2-CD2 3.76Å; L428-F495 HydrophobicContact CD2-CE1 4.15Å; L428-F495 HydrophobicContact CD2-CE2 4.11Å; L428-F495 HydrophobicContact CD2-CG 3.62Å; L428-F495 HydrophobicContact CD2-CZ 4.28Å; L428-I730 HydrophobicContact CD2-CD1 4.19Å; L428-I730 HydrophobicContact CD2-CG1 4.49Å; L428-I746 HydrophobicContact CD1-CD1 3.79Å; L428-I746 HydrophobicContact CD2-CD1 4.47Å; L428-I746 HydrophobicContact CG-CD1 4.47Å; L428-L749 HydrophobicContact CD1-CD1 4.33Å; L428-L755 HydrophobicContact CD1-CD2 3.53Å; L428-L758 HydrophobicContact CB-CD1 4.41Å |
| 429 | M | 93.7 | Very high | 91 | Very high | 15 Ų | 15 | 43.9 Ų | 43.9 | 7% | 0.074 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -58.7 | -39.5 | 177.2 | -79.1 | -175.9 | -66 | 0 | 0 | 111.8 | V398 C425 V426 S433 Y441 V443 V476 | V398-M429 HydrophobicContact CG2-CE 3.92Å; V398-M429 HydrophobicContact CG2-SD 4.07Å; C425-M429 WeakPolarHBondContact O-CB 3.24Å; C425-M429 WeakPolarHBondContact O-CE 3.18Å; C425-M429 VanDerWaalsContact O-CG 3.29Å; C425-M429 WeakPolarHBondContact O-CG 3.49Å; C425-M429 PolarHBondContact O-N 3.33Å; V426-M429 HydrophobicContact CG2-CE 4.47Å; V426-M429 PolarHBondContact O-N 3.47Å; M429-S433 WeakPolarHBondContact O-CB 3.43Å; M429-S433 PolarHBondContact O-N 3.22Å; M429-Y441 HydrophobicContact CB-CE2 3.94Å; M429-Y441 HydrophobicContact SD-CE2 4.4Å; M429-V443 HydrophobicContact CE-CG1 4.31Å; M429-V443 HydrophobicContact CE-CG2 3.64Å; M429-V443 HydrophobicContact SD-CG2 4.08Å; M429-V476 HydrophobicContact CG-CB 3.94Å; M429-V476 HydrophobicContact CG-CG1 3.94Å; M429-V476 HydrophobicContact CG-CG2 3.75Å; M429-V476 HydrophobicContact SD-CB 4Å; M429-V476 HydrophobicContact SD-CG2 3.98Å |
| 430 | K | 93.8 | Very high | 90.8 | Very high | 118 Ų | 118 | 44 Ų | 44 | 51% | 0.513 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -63.3 | -48.7 | 175.8 | -172.8 | 178.2 | 177.7 | 179.7 | 0 | 111.8 | V426 D427 L428 S433 E434 Y441 | V426-K430 PolarHBondContact O-N 3.15Å; D427-K430 WeakPolarHBondContact O-CB 3.34Å; D427-K430 PolarHBondContact O-N 3.25Å; L428-K430 VanDerWaalsContact C-N 3.26Å; L428-K430 PolarHBondContact O-N 3.44Å; K430-S433 WeakPolarHBondContact O-CB 3.3Å; K430-S433 PolarHBondContact O-N 3.27Å; K430-E434 VanDerWaalsContact CE-OE1 3.26Å; K430-E434 WeakPolarHBondContact CE-OE1 3.35Å; K430-E434 WeakPolarHBondContact O-CG 3.32Å; K430-E434 PolarHBondContact O-N 3.3Å; K430-Y441 PolarHBondContact N-OH 3.1Å |
| 431 | L | 94 | Very high | 90.7 | Very high | 27 Ų | 27 | 43.3 Ų | 43.3 | 14% | 0.141 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -43.3 | 178.2 | -68.3 | -179.8 | 0 | 0 | 0 | 112.4 | D427 L428 E434 K435 L749 E754 L758 | D427-L431 PolarHBondContact O-N 3.36Å; L428-L431 PolarHBondContact O-N 3.37Å; L431-E434 PolarHBondContact O-N 2.87Å; L431-K435 WeakPolarHBondContact O-CG 3.1Å; L431-K435 PolarHBondContact O-N 3.03Å; L431-L749 HydrophobicContact CB-CD1 3.94Å; L431-L749 HydrophobicContact CB-CD2 4.04Å; L431-L749 HydrophobicContact CD1-CD2 4.21Å; L431-E754 HydrophobicContact CD1-CB 4.32Å; L431-L758 HydrophobicContact CD1-CD1 3.64Å; L431-L758 HydrophobicContact CD1-CG 4.14Å |
| 432 | V | 93.6 | Very high | 90.5 | Very high | 7 Ų | 7 | 44.8 Ų | 44.8 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.5 | -45.9 | 176.9 | 169.5 | 0 | 0 | 0 | 0 | 110 | L428 E434 K435 I436 I730 I742 I746 L749 | L428-V432 HydrophobicContact CD1-CG2 3.97Å; L428-V432 HydrophobicContact CG-CG2 4.18Å; L428-V432 WeakPolarHBondContact O-CB 3.47Å; L428-V432 VanDerWaalsContact O-CG2 3.29Å; L428-V432 WeakPolarHBondContact O-CG2 3.12Å; L428-V432 PolarHBondContact O-N 2.94Å; V432-E434 VanDerWaalsContact C-N 3.33Å; V432-E434 PolarHBondContact O-N 3.16Å; V432-K435 PolarHBondContact O-N 2.93Å; V432-I436 HydrophobicContact CG1-CD1 4.22Å; V432-I436 HydrophobicContact CG1-CG2 4.48Å; V432-I436 VanDerWaalsContact O-CG1 3.25Å; V432-I436 WeakPolarHBondContact O-CG1 3.48Å; V432-I436 WeakPolarHBondContact O-CG2 3.4Å; V432-I436 PolarHBondContact O-N 3.39Å; V432-I730 HydrophobicContact CG2-CD1 4.11Å; V432-I742 HydrophobicContact CG1-CB 4.47Å; V432-I742 HydrophobicContact CG1-CD1 4.45Å; V432-I742 HydrophobicContact CG1-CG1 3.82Å; V432-I742 HydrophobicContact CG1-CG2 4.29Å; V432-I746 HydrophobicContact CG2-CD1 3.71Å; V432-L749 HydrophobicContact CG2-CD1 3.98Å |
| 433 | S | 91.7 | Very high | 90.3 | Very high | 16 Ų | 16 | 42.6 Ų | 42.6 | 11% | 0.112 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -55.4 | -45.5 | 174.7 | 170.2 | 0 | 0 | 0 | 0 | 112.1 | M429 K430 I436 G437 N438 L439 | M429-S433 WeakPolarHBondContact O-CB 3.43Å; M429-S433 PolarHBondContact O-N 3.22Å; K430-S433 WeakPolarHBondContact O-CB 3.3Å; K430-S433 PolarHBondContact O-N 3.27Å; S433-I436 WeakPolarHBondContact O-CG1 3.37Å; S433-I436 PolarHBondContact O-N 2.57Å; S433-G437 PolarHBondContact O-N 3.39Å; S433-N438 VanDerWaalsContact O-CA 3.24Å; S433-N438 WeakPolarHBondContact O-CA 3.39Å; S433-N438 PolarHBondContact O-N 3.33Å; S433-L439 PolarHBondContact OG-O 3.01Å |
| 434 | E | 91.5 | Very high | 90 | Very high | 87 Ų | 87 | 46.5 Ų | 46.5 | 41% | 0.407 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 177.1 | -73.1 | 168.6 | -170.6 | 0 | 0 | 111.6 | K430 L431 V432 I436 G437 N438 | K430-E434 VanDerWaalsContact CE-OE1 3.26Å; K430-E434 WeakPolarHBondContact CE-OE1 3.35Å; K430-E434 WeakPolarHBondContact O-CG 3.32Å; K430-E434 PolarHBondContact O-N 3.3Å; L431-E434 PolarHBondContact O-N 2.87Å; V432-E434 VanDerWaalsContact C-N 3.33Å; V432-E434 PolarHBondContact O-N 3.16Å; E434-I436 VanDerWaalsContact C-N 3.35Å; E434-I436 PolarHBondContact O-N 3.42Å; E434-G437 PolarHBondContact O-N 3Å; E434-N438 WeakPolarHBondContact CA-OD1 3.49Å |
| 435 | K | 89.9 | Confident | 89.6 | Confident | 86 Ų | 86 | 48.9 Ų | 48.9 | 37% | 0.374 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -66.2 | -32.1 | 179.3 | -71 | -64.1 | -175.1 | 178.6 | 0 | 114 | L431 V432 G437 A745 E748 L749 | L431-K435 WeakPolarHBondContact O-CG 3.1Å; L431-K435 PolarHBondContact O-N 3.03Å; V432-K435 PolarHBondContact O-N 2.93Å; K435-G437 VanDerWaalsContact C-N 3.29Å; K435-G437 PolarHBondContact O-N 3.18Å; K435-A745 HydrophobicContact CB-CB 3.76Å; K435-E748 IonicContact NZ-OE1 2.99Å; K435-E748 PolarHBondContact NZ-OE1 3.49Å; K435-E748 IonicContact NZ-OE2 2.89Å; K435-L749 HydrophobicContact CG-CD2 4.21Å; K435-L749 HydrophobicContact CG-CG 4.32Å |
| 436 | I | 87.8 | Confident | 89.3 | Confident | 31 Ų | 31 | 49 Ų | 49 | 16% | 0.159 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.5 | 16.4 | 179.5 | 70.5 | -172.7 | 0 | 0 | 0 | 113.7 | V432 S433 E434 L439 L738 K741 A745 | V432-I436 HydrophobicContact CG1-CD1 4.22Å; V432-I436 HydrophobicContact CG1-CG2 4.48Å; V432-I436 VanDerWaalsContact O-CG1 3.25Å; V432-I436 WeakPolarHBondContact O-CG1 3.48Å; V432-I436 WeakPolarHBondContact O-CG2 3.4Å; V432-I436 PolarHBondContact O-N 3.39Å; S433-I436 WeakPolarHBondContact O-CG1 3.37Å; S433-I436 PolarHBondContact O-N 2.57Å; E434-I436 VanDerWaalsContact C-N 3.35Å; E434-I436 PolarHBondContact O-N 3.42Å; I436-L439 HydrophobicContact CD1-CD1 3.79Å; I436-L439 HydrophobicContact CD1-CG 4.49Å; I436-L439 HydrophobicContact CG1-CB 4.39Å; I436-L439 HydrophobicContact CG1-CD1 3.81Å; I436-L439 HydrophobicContact CG1-CG 4.15Å; I436-L738 HydrophobicContact CD1-CD2 4.37Å; I436-K741 HydrophobicContact CG2-CB 3.91Å; I436-A745 HydrophobicContact CG2-CB 4.07Å |
| 437 | G | 82.5 | Confident | 88.8 | Confident | 58 Ų | 58 | 57.2 Ų | 57.2 | 60% | 0.598 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 97.8 | 32.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | S433 E434 K435 L439 | S433-G437 PolarHBondContact O-N 3.39Å; E434-G437 PolarHBondContact O-N 3Å; K435-G437 VanDerWaalsContact C-N 3.29Å; K435-G437 PolarHBondContact O-N 3.18Å; G437-L439 PolarHBondContact O-N 3.18Å |
| 438 | N | 84.6 | Confident | 88.2 | Confident | 118 Ų | 118 | 58.5 Ų | 58.5 | 63% | 0.631 | 31% | 0.309 | S | S | * | . | trans | 56 | 46.2 | -179.9 | -67.3 | -43.7 | 0 | 0 | 0 | 113.7 | S433 E434 | S433-N438 VanDerWaalsContact O-CA 3.24Å; S433-N438 WeakPolarHBondContact O-CA 3.39Å; S433-N438 PolarHBondContact O-N 3.33Å; E434-N438 WeakPolarHBondContact CA-OD1 3.49Å | ||
| 439 | L | 77.8 | Confident | 87.6 | Confident | 42 Ų | 42 | 61.6 Ų | 61.6 | 22% | 0.22 | 33% | 0.325 | C | S | . | . | trans | -69.1 | 130 | 179.5 | -70.1 | 176.9 | 0 | 0 | 0 | 111.6 | S433 I436 G437 Y441 L738 | S433-L439 PolarHBondContact OG-O 3.01Å; I436-L439 HydrophobicContact CD1-CD1 3.79Å; I436-L439 HydrophobicContact CD1-CG 4.49Å; I436-L439 HydrophobicContact CG1-CB 4.39Å; I436-L439 HydrophobicContact CG1-CD1 3.81Å; I436-L439 HydrophobicContact CG1-CG 4.15Å; G437-L439 PolarHBondContact O-N 3.18Å; L439-Y441 PolarHBondContact O-N 3.4Å; L439-L738 HydrophobicContact CD1-CD2 4.04Å | ||
| 440 | P | 85 | Confident | 87.2 | Confident | 106 Ų | 106 | 65.6 Ų | 65.6 | 69% | 0.688 | 34% | 0.342 | S | S | * | . | trans | -68.4 | 135 | 176 | 28.4 | -33.7 | 0 | 0 | 0 | 110.7 | ||||
| 441 | Y | 87.9 | Confident | 86.9 | Confident | 58 Ų | 58 | 62.3 Ų | 62.3 | 23% | 0.227 | 33% | 0.327 | C | S | . | . | trans | -136.5 | 153.4 | 179.3 | 65.8 | -85.2 | 0 | 0 | 0 | 111.1 | N418 M429 K430 L439 V443 | N418-Y441 WeakPolarHBondContact ND2-CE2 3.47Å; N418-Y441 PolarHBondContact ND2-O 3.4Å; M429-Y441 HydrophobicContact CB-CE2 3.94Å; M429-Y441 HydrophobicContact SD-CE2 4.4Å; K430-Y441 PolarHBondContact N-OH 3.1Å; L439-Y441 PolarHBondContact O-N 3.4Å; Y441-V443 HydrophobicContact CD2-CG2 3.9Å; Y441-V443 HydrophobicContact CE2-CG2 3.69Å | ||
| 442 | V | 88.1 | Confident | 86.5 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 39% | 0.394 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.6 | 173 | 179.6 | 0 | 0 | 0 | 0 | 109.3 | G396 K444 | G396-V442 PolarHBondContact N-O 2.9Å; V442-K444 HydrophobicContact CG1-CG 4.24Å |
| 443 | V | 88.9 | Confident | 85.8 | Confident | 8 Ų | 8 | 63.9 Ų | 63.9 | 5% | 0.048 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 124.4 | 177.2 | 177.2 | 0 | 0 | 0 | 0 | 109.9 | V398 F406 N418 Y421 M429 Y441 | V398-V443 HydrophobicContact CB-CG1 4.39Å; V398-V443 HydrophobicContact CG2-CG1 3.91Å; F406-V443 HydrophobicContact CE2-CG1 3.45Å; F406-V443 VanDerWaalsContact CE2-CG1 3.45Å; F406-V443 HydrophobicContact CZ-CG1 3.45Å; F406-V443 VanDerWaalsContact CZ-CG1 3.45Å; N418-V443 HydrophobicContact CB-CG2 4.25Å; N418-V443 PolarHBondContact OD1-N 3.48Å; Y421-V443 HydrophobicContact CD2-CB 4.1Å; Y421-V443 HydrophobicContact CD2-CG1 3.72Å; Y421-V443 HydrophobicContact CE2-CB 4.18Å; Y421-V443 HydrophobicContact CE2-CG1 3.89Å; Y421-V443 HydrophobicContact CG-CG1 4.38Å; M429-V443 HydrophobicContact CE-CG1 4.31Å; M429-V443 HydrophobicContact CE-CG2 3.64Å; M429-V443 HydrophobicContact SD-CG2 4.08Å; Y441-V443 HydrophobicContact CD2-CG2 3.9Å; Y441-V443 HydrophobicContact CE2-CG2 3.69Å |
| 444 | K | 85.7 | Confident | 85.1 | Confident | 82 Ų | 82 | 66.6 Ų | 66.6 | 36% | 0.357 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 135.1 | 175.6 | -65.5 | -177.7 | 179.7 | 178.2 | 0 | 111.3 | G396 S397 V398 V442 | G396-K444 PolarHBondContact O-N 2.93Å; S397-K444 CarbonylContact C-O 3.57Å; S397-K444 VanDerWaalsContact CA-O 3.28Å; S397-K444 WeakPolarHBondContact CA-O 3.31Å; V398-K444 PolarHBondContact N-O 3.22Å; V442-K444 HydrophobicContact CG1-CG 4.24Å |
| 445 | P | 87.6 | Confident | 84 | Confident | 49 Ų | 49 | 65.9 Ų | 65.9 | 32% | 0.318 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 138.6 | 169.9 | 27.6 | -32.2 | 0 | 0 | 0 | 111.2 | V398 L400 | V398-P445 CarbonylContact O-C 3.39Å; V398-P445 WeakPolarHBondContact O-CA 3.34Å; L400-P445 HydrophobicContact CB-CB 3.92Å; L400-P445 HydrophobicContact CD1-CB 3.58Å; L400-P445 HydrophobicContact CD1-CG 4.01Å; L400-P445 HydrophobicContact CG-CB 4.28Å |
| 446 | V | 87.5 | Confident | 82.9 | Confident | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | trans | -61.3 | 135.6 | 173.9 | 68.6 | 0 | 0 | 0 | 0 | 109.9 | V398 K399 D448 N449 M463 E466 | V398-V446 PolarHBondContact O-N 3.3Å; K399-V446 HydrophobicContact CB-CG1 4.2Å; K399-V446 HydrophobicContact CG-CG1 4.29Å; V446-D448 VanDerWaalsContact C-N 3.33Å; V446-D448 PolarHBondContact O-N 3.35Å; V446-N449 PolarHBondContact O-N 3.2Å; V446-M463 HydrophobicContact CB-CG 3.72Å; V446-M463 HydrophobicContact CG1-CG 4.08Å; V446-M463 HydrophobicContact CG2-CB 4.46Å; V446-M463 HydrophobicContact CG2-CG 3.73Å; V446-E466 HydrophobicContact CG2-CG 4.31Å | ||
| 447 | K | 82.1 | Confident | 81.5 | Confident | 189 Ų | 189 | 74.9 Ų | 74.9 | 82% | 0.822 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -34.7 | -167.9 | -69.5 | 174.9 | -177.5 | 173.8 | 0 | 114.5 | E466 | K447-E466 WeakPolarHBondContact CG-OE1 3.39Å; K447-E466 PolarHBondContact N-OE1 3.12Å |
| 448 | D | 82.4 | Confident | 80.8 | Confident | 64 Ų | 64 | 74.4 Ų | 74.4 | 34% | 0.342 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 2.2 | -173.8 | 67 | -1 | 0 | 0 | 0 | 113.8 | V446 K450 G462 | V446-D448 VanDerWaalsContact C-N 3.33Å; V446-D448 PolarHBondContact O-N 3.35Å; D448-K450 PolarHBondContact O-N 3.08Å; D448-K450 PolarHBondContact OD1-N 3.32Å; D448-G462 WeakPolarHBondContact OD1-CA 3.4Å; D448-G462 WeakPolarHBondContact OD2-CA 3.11Å; D448-G462 PolarHBondContact OD2-N 2.93Å |
| 449 | N | 84.1 | Confident | 80.2 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 35% | 0.348 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 56.1 | 22.9 | -173.3 | -70.8 | -50.3 | 0 | 0 | 0 | 115.6 | K399 L400 V446 | K399-N449 WeakPolarHBondContact CE-O 3.35Å; L400-N449 WeakPolarHBondContact CB-OD1 3.09Å; V446-N449 PolarHBondContact O-N 3.2Å |
| 450 | K | 85.2 | Confident | 80.1 | Confident | 99 Ų | 99 | 77 Ų | 77 | 43% | 0.43 | 40% | 0.397 | S | S | . | . | trans | -105.7 | 156.5 | 178.8 | -64.9 | -179.9 | 179.5 | 175.5 | 0 | 112.8 | D448 D461 G462 M463 | D448-K450 PolarHBondContact O-N 3.08Å; D448-K450 PolarHBondContact OD1-N 3.32Å; K450-D461 HydrophobicContact CD-CB 4.46Å; K450-D461 WeakPolarHBondContact CD-OD2 3.4Å; K450-D461 WeakPolarHBondContact CE-OD2 3.31Å; K450-D461 IonicContact NZ-OD2 3.26Å; K450-D461 PolarHBondContact NZ-OD2 2.89Å; K450-G462 WeakPolarHBondContact O-CA 3.33Å; K450-M463 PolarHBondContact O-N 2.92Å; K450-M463 VanDerWaalsContact O-N 3.1Å | ||
| 451 | Y | 87.8 | Confident | 80 | Confident | 49 Ų | 49 | 72.6 Ų | 72.6 | 19% | 0.192 | 37% | 0.368 | C | S | . | . | trans | -78.1 | -37.6 | 176 | -71.8 | -79.9 | 0 | 0 | 0 | 112.5 | K399 N402 M463 V464 A477 S478 L479 | K399-Y451 HydrophobicContact CD-CD1 4.35Å; K399-Y451 HydrophobicContact CD-CD2 4.22Å; K399-Y451 HydrophobicContact CD-CE1 3.92Å; K399-Y451 HydrophobicContact CD-CE2 3.81Å; K399-Y451 HydrophobicContact CD-CG 4.46Å; N402-Y451 VanDerWaalsContact CG-OH 3.23Å; N402-Y451 PolarHBondContact ND2-OH 3.19Å; N402-Y451 PolarHBondContact OD1-OH 2.94Å; Y451-M463 HydrophobicContact CD1-CE 3.28Å; Y451-M463 HydrophobicContact CE1-CE 3.85Å; Y451-M463 HydrophobicContact CG-CE 4.09Å; Y451-M463 PolarHBondContact O-N 3.28Å; Y451-V464 WeakPolarHBondContact O-CG2 3.24Å; Y451-V464 PolarHBondContact O-N 3.11Å; Y451-V464 VanDerWaalsContact O-N 3.16Å; Y451-A477 HydrophobicContact CE1-CB 4.25Å; Y451-S478 WeakPolarHBondContact CE1-O 3.2Å; Y451-S478 PolarHBondContact OH-OG 3.28Å; Y451-L479 HydrophobicContact CD1-CB 4.44Å; Y451-L479 HydrophobicContact CD1-CD1 3.87Å; Y451-L479 HydrophobicContact CG-CD1 4.3Å | ||
| 452 | G | 84.2 | Confident | 80 | Confident | 2 Ų | 2 | 70 Ų | 70 | 2% | 0.021 | 36% | 0.359 | C | S | . | . | trans | 125.8 | 116 | -175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D461 R485 | G452-D461 WeakPolarHBondContact CA-O 3.49Å; G452-D461 WeakPolarHBondContact CA-OD1 3.35Å; G452-R485 PolarHBondContact O-NE 2.88Å; G452-R485 PolarHBondContact O-NH2 2.83Å; G452-R485 VanDerWaalsContact O-NH2 3.11Å | ||
| 453 | T | 79.5 | Confident | 80.1 | Confident | 64 Ų | 64 | 66.9 Ų | 66.9 | 39% | 0.393 | 34% | 0.34 | S | S | . | . | trans | -138.2 | 158.6 | 176.8 | 38.7 | 0 | 0 | 0 | 0 | 109 | D461 | T453-D461 PolarHBondContact N-OD1 3.26Å; T453-D461 PolarHBondContact O-N 2.91Å; T453-D461 VanDerWaalsContact O-N 3.13Å; T453-D461 VanDerWaalsContact O-OD1 3.13Å; T453-D461 PolarHBondContact OG1-OD1 3.36Å; T453-D461 PolarHBondContact OG1-OD2 3.12Å | ||
| 454 | V | 76.1 | Confident | 79.8 | Confident | 73 Ų | 73 | 66.5 Ų | 66.5 | 44% | 0.442 | 34% | 0.338 | S | S | . | . | B | Isolated β-bridge | trans | -85.9 | 119.7 | 178.1 | -176 | 0 | 0 | 0 | 0 | 108.8 | R459 W460 | V454-R459 WeakPolarHBondContact CA-O 3.35Å; V454-W460 HydrophobicContact CG2-CD2 3.92Å; V454-W460 VanDerWaalsContact CG2-CE2 3.5Å; V454-W460 HydrophobicContact CG2-CE3 4.25Å; V454-W460 HydrophobicContact CG2-CH2 3.9Å; V454-W460 HydrophobicContact CG2-CZ2 3.5Å; V454-W460 HydrophobicContact CG2-CZ3 4.24Å |
| 455 | D | 68.2 | Low | 79.7 | Confident | 73 Ų | 73 | 62.9 Ų | 62.9 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | trans | -69.6 | 167.4 | 172.4 | -75.1 | -17.6 | 0 | 0 | 0 | 111.3 | D457 G458 R459 | D455-D457 PolarHBondContact O-N 2.82Å; D455-D457 VanDerWaalsContact O-N 3.09Å; D455-G458 PolarHBondContact O-N 2.93Å; D455-R459 PolarHBondContact N-O 3.12Å | ||
| 456 | L | 67.6 | Low | 79.6 | Confident | 189 Ų | 189 | 61.6 Ų | 61.6 | 99% | 0.99 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.8 | -28.5 | 177.7 | -67.9 | 167.9 | 0 | 0 | 0 | 113.3 | G458 | L456-G458 VanDerWaalsContact C-N 3.28Å; L456-G458 PolarHBondContact O-N 3.16Å |
| 457 | D | 58.4 | Low | 79.3 | Confident | 117 Ų | 117 | 61.5 Ų | 61.5 | 63% | 0.626 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -1.9 | 177.2 | -64.4 | -22.9 | 0 | 0 | 0 | 113.8 | D455 R459 | D455-D457 PolarHBondContact O-N 2.82Å; D455-D457 VanDerWaalsContact O-N 3.09Å; D457-R459 VanDerWaalsContact C-N 3.31Å; D457-R459 PolarHBondContact O-N 3.13Å; D457-R459 IonicContact OD2-CZ 3.87Å; D457-R459 IonicContact OD2-NE 3.85Å; D457-R459 IonicContact OD2-NH2 2.9Å; D457-R459 PolarHBondContact OD2-NH2 2.92Å |
| 458 | G | 67.6 | Low | 79.1 | Confident | 48 Ų | 48 | 56.4 Ų | 56.4 | 50% | 0.495 | 29% | 0.294 | S | S | . | . | S | Bend | trans | 80.5 | 5.1 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | D455 L456 | D455-G458 PolarHBondContact O-N 2.93Å; L456-G458 VanDerWaalsContact C-N 3.28Å; L456-G458 PolarHBondContact O-N 3.16Å |
| 459 | R | 71.7 | Confident | 78.8 | Confident | 163 Ų | 163 | 58.5 Ų | 58.5 | 62% | 0.615 | 31% | 0.309 | S | S | * | . | trans | -84.7 | 149.8 | 176 | -70.9 | -175.8 | -77.1 | -177.5 | -4 | 111.2 | V454 D455 D457 | V454-R459 WeakPolarHBondContact CA-O 3.35Å; D455-R459 PolarHBondContact N-O 3.12Å; D457-R459 VanDerWaalsContact C-N 3.31Å; D457-R459 PolarHBondContact O-N 3.13Å; D457-R459 IonicContact OD2-CZ 3.87Å; D457-R459 IonicContact OD2-NE 3.85Å; D457-R459 IonicContact OD2-NH2 2.9Å; D457-R459 PolarHBondContact OD2-NH2 2.92Å | ||
| 460 | W | 77.3 | Confident | 78.4 | Confident | 50 Ų | 50 | 56.5 Ų | 56.5 | 19% | 0.189 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -92.8 | 130.9 | 176 | -75.3 | 85.7 | 0 | 0 | 0 | 111 | V454 V464 G465 I468 L484 R485 V488 | V454-W460 HydrophobicContact CG2-CD2 3.92Å; V454-W460 VanDerWaalsContact CG2-CE2 3.5Å; V454-W460 HydrophobicContact CG2-CE3 4.25Å; V454-W460 HydrophobicContact CG2-CH2 3.9Å; V454-W460 HydrophobicContact CG2-CZ2 3.5Å; V454-W460 HydrophobicContact CG2-CZ3 4.24Å; W460-V464 HydrophobicContact CD2-CG1 3.8Å; W460-V464 HydrophobicContact CE3-CB 3.94Å; W460-V464 HydrophobicContact CE3-CG1 3.44Å; W460-V464 VanDerWaalsContact CE3-CG1 3.44Å; W460-V464 HydrophobicContact CG-CG1 4.28Å; W460-V464 HydrophobicContact CZ3-CB 4.39Å; W460-V464 HydrophobicContact CZ3-CG1 3.88Å; W460-G465 WeakPolarHBondContact O-CA 3.22Å; W460-I468 HydrophobicContact CB-CD1 3.65Å; W460-I468 VanDerWaalsContact CD1-CD1 3.47Å; W460-I468 HydrophobicContact CD2-CD1 4.14Å; W460-I468 HydrophobicContact CG-CD1 3.46Å; W460-I468 VanDerWaalsContact CG-CD1 3.46Å; W460-L484 HydrophobicContact CH2-CB 4.06Å; W460-L484 WeakPolarHBondContact CH2-O 3.27Å; W460-L484 WeakPolarHBondContact CZ2-O 3.33Å; W460-R485 HydrophobicContact CH2-CG 3.95Å; W460-R485 HydrophobicContact CZ3-CG 3.84Å; W460-V488 HydrophobicContact CD2-CG2 4.2Å; W460-V488 HydrophobicContact CH2-CG2 4.05Å; W460-V488 HydrophobicContact CZ2-CB 4.44Å; W460-V488 HydrophobicContact CZ2-CG1 4.04Å; W460-V488 HydrophobicContact CZ2-CG2 3.54Å |
| 461 | D | 82.3 | Confident | 77.9 | Confident | 15 Ų | 15 | 53.6 Ų | 53.6 | 8% | 0.08 | 30% | 0.299 | C | S | . | . | trans | -93.7 | -175.4 | 169.5 | 71.9 | 3.3 | 0 | 0 | 0 | 111.6 | K450 G452 T453 G465 | K450-D461 HydrophobicContact CD-CB 4.46Å; K450-D461 WeakPolarHBondContact CD-OD2 3.4Å; K450-D461 WeakPolarHBondContact CE-OD2 3.31Å; K450-D461 IonicContact NZ-OD2 3.26Å; K450-D461 PolarHBondContact NZ-OD2 2.89Å; G452-D461 WeakPolarHBondContact CA-O 3.49Å; G452-D461 WeakPolarHBondContact CA-OD1 3.35Å; T453-D461 PolarHBondContact N-OD1 3.26Å; T453-D461 PolarHBondContact O-N 2.91Å; T453-D461 VanDerWaalsContact O-N 3.13Å; T453-D461 VanDerWaalsContact O-OD1 3.13Å; T453-D461 PolarHBondContact OG1-OD1 3.36Å; T453-D461 PolarHBondContact OG1-OD2 3.12Å; D461-G465 WeakPolarHBondContact O-CA 3.34Å; D461-G465 PolarHBondContact O-N 3.41Å | ||
| 462 | G | 87.3 | Confident | 77.6 | Confident | 3 Ų | 3 | 51.3 Ų | 51.3 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | 63.8 | -161.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | D448 K450 V464 G465 E466 | D448-G462 WeakPolarHBondContact OD1-CA 3.4Å; D448-G462 WeakPolarHBondContact OD2-CA 3.11Å; D448-G462 PolarHBondContact OD2-N 2.93Å; K450-G462 WeakPolarHBondContact O-CA 3.33Å; G462-V464 VanDerWaalsContact C-N 3.28Å; G462-V464 PolarHBondContact O-N 3.35Å; G462-G465 WeakPolarHBondContact O-CA 3.34Å; G462-G465 PolarHBondContact O-N 2.86Å; G462-G465 VanDerWaalsContact O-N 3.08Å; G462-E466 PolarHBondContact O-N 3.17Å |
| 463 | M | 89.8 | Confident | 77.7 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -59.5 | -38.6 | 179.3 | -69.4 | 179.9 | -69.6 | 0 | 0 | 112.1 | K399 V446 K450 Y451 G465 E466 L467 A475 A477 | K399-M463 HydrophobicContact CB-CE 3.84Å; K399-M463 HydrophobicContact CB-SD 3.96Å; V446-M463 HydrophobicContact CB-CG 3.72Å; V446-M463 HydrophobicContact CG1-CG 4.08Å; V446-M463 HydrophobicContact CG2-CB 4.46Å; V446-M463 HydrophobicContact CG2-CG 3.73Å; K450-M463 PolarHBondContact O-N 2.92Å; K450-M463 VanDerWaalsContact O-N 3.1Å; Y451-M463 HydrophobicContact CD1-CE 3.28Å; Y451-M463 HydrophobicContact CE1-CE 3.85Å; Y451-M463 HydrophobicContact CG-CE 4.09Å; Y451-M463 PolarHBondContact O-N 3.28Å; M463-G465 VanDerWaalsContact C-N 3.33Å; M463-G465 PolarHBondContact O-N 3.11Å; M463-E466 PolarHBondContact O-N 2.71Å; M463-L467 WeakPolarHBondContact O-CG 3.18Å; M463-L467 PolarHBondContact O-N 3.46Å; M463-A475 HydrophobicContact CB-CB 3.97Å; M463-A475 HydrophobicContact SD-CB 4.4Å; M463-A477 HydrophobicContact CE-CB 3.58Å; M463-A477 HydrophobicContact SD-CB 3.82Å |
| 464 | V | 84.2 | Confident | 78.2 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -41.8 | 175.3 | 176.9 | 0 | 0 | 0 | 0 | 110.8 | Y451 W460 G462 L467 I468 L479 R485 V488 V489 | Y451-V464 WeakPolarHBondContact O-CG2 3.24Å; Y451-V464 PolarHBondContact O-N 3.11Å; Y451-V464 VanDerWaalsContact O-N 3.16Å; W460-V464 HydrophobicContact CD2-CG1 3.8Å; W460-V464 HydrophobicContact CE3-CB 3.94Å; W460-V464 HydrophobicContact CE3-CG1 3.44Å; W460-V464 VanDerWaalsContact CE3-CG1 3.44Å; W460-V464 HydrophobicContact CG-CG1 4.28Å; W460-V464 HydrophobicContact CZ3-CB 4.39Å; W460-V464 HydrophobicContact CZ3-CG1 3.88Å; G462-V464 VanDerWaalsContact C-N 3.28Å; G462-V464 PolarHBondContact O-N 3.35Å; V464-L467 PolarHBondContact O-N 3Å; V464-I468 HydrophobicContact CG1-CD1 3.78Å; V464-I468 HydrophobicContact CG1-CG1 4.48Å; V464-I468 WeakPolarHBondContact O-CD1 3.46Å; V464-I468 VanDerWaalsContact O-CG1 3.25Å; V464-I468 WeakPolarHBondContact O-CG1 3.21Å; V464-I468 PolarHBondContact O-N 3.45Å; V464-L479 HydrophobicContact CG2-CD1 4.33Å; V464-L479 HydrophobicContact CG2-CD2 4.38Å; V464-R485 HydrophobicContact CG2-CG 4.03Å; V464-V488 HydrophobicContact CG1-CG2 3.75Å; V464-V489 HydrophobicContact CG1-CG1 3.98Å; V464-V489 HydrophobicContact CG1-CG2 4.25Å; V464-V489 HydrophobicContact CG2-CG2 4.43Å |
| 465 | G | 82.7 | Confident | 79 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 6% | 0.062 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | W460 D461 G462 M463 L467 I468 T469 | W460-G465 WeakPolarHBondContact O-CA 3.22Å; D461-G465 WeakPolarHBondContact O-CA 3.34Å; D461-G465 PolarHBondContact O-N 3.41Å; G462-G465 WeakPolarHBondContact O-CA 3.34Å; G462-G465 PolarHBondContact O-N 2.86Å; G462-G465 VanDerWaalsContact O-N 3.08Å; M463-G465 VanDerWaalsContact C-N 3.33Å; M463-G465 PolarHBondContact O-N 3.11Å; G465-L467 VanDerWaalsContact C-N 3.35Å; G465-L467 PolarHBondContact O-N 3.45Å; G465-I468 PolarHBondContact O-N 3.47Å; G465-T469 WeakPolarHBondContact O-CB 3.12Å; G465-T469 VanDerWaalsContact O-CG2 3.3Å; G465-T469 WeakPolarHBondContact O-CG2 3.45Å; G465-T469 PolarHBondContact O-N 3.25Å; G465-T469 PolarHBondContact O-OG1 3.18Å |
| 466 | E | 85.2 | Confident | 80.2 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 10% | 0.098 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -34.1 | 175.6 | -72.4 | -170.5 | -176.9 | 0 | 0 | 112.9 | S397 V446 K447 G462 M463 T469 G470 A471 A472 | S397-E466 VanDerWaalsContact CB-OE2 3.24Å; S397-E466 WeakPolarHBondContact CB-OE2 2.93Å; S397-E466 PolarHBondContact OG-OE2 2.8Å; V446-E466 HydrophobicContact CG2-CG 4.31Å; K447-E466 WeakPolarHBondContact CG-OE1 3.39Å; K447-E466 PolarHBondContact N-OE1 3.12Å; G462-E466 PolarHBondContact O-N 3.17Å; M463-E466 PolarHBondContact O-N 2.71Å; E466-T469 WeakPolarHBondContact CA-OG1 3.45Å; E466-T469 PolarHBondContact O-OG1 2.91Å; E466-G470 PolarHBondContact O-N 3.16Å; E466-A471 HydrophobicContact CB-CB 4.07Å; E466-A471 HydrophobicContact CG-CB 4.2Å; E466-A471 PolarHBondContact O-N 3.26Å; E466-A472 HydrophobicContact CB-CB 4.29Å; E466-A472 PolarHBondContact O-N 3.1Å |
| 467 | L | 82.5 | Confident | 81.4 | Confident | 2 Ų | 2 | 34.7 Ų | 34.7 | 1% | 0.01 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -68.2 | -45.2 | 172 | -68.3 | 176.7 | 0 | 0 | 0 | 112 | M463 V464 G465 T469 G470 A472 A475 V489 A731 P733 | M463-L467 WeakPolarHBondContact O-CG 3.18Å; M463-L467 PolarHBondContact O-N 3.46Å; V464-L467 PolarHBondContact O-N 3Å; G465-L467 VanDerWaalsContact C-N 3.35Å; G465-L467 PolarHBondContact O-N 3.45Å; L467-T469 VanDerWaalsContact C-N 3.3Å; L467-T469 PolarHBondContact O-N 2.62Å; L467-G470 PolarHBondContact O-N 3.36Å; L467-A472 HydrophobicContact CD2-CB 4.31Å; L467-A475 HydrophobicContact CD1-CB 3.66Å; L467-A475 HydrophobicContact CD2-CB 4.17Å; L467-A475 HydrophobicContact CG-CB 4.03Å; L467-V489 HydrophobicContact CB-CG1 3.85Å; L467-V489 HydrophobicContact CD1-CB 4.3Å; L467-V489 HydrophobicContact CD1-CG1 3.91Å; L467-A731 HydrophobicContact CD1-CB 3.51Å; L467-P733 HydrophobicContact CD2-CG 4.26Å |
| 468 | I | 76.7 | Confident | 83.1 | Confident | 82 Ų | 82 | 29.2 Ų | 29.2 | 42% | 0.421 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.6 | -37.1 | 179.4 | -68.6 | 163.3 | 0 | 0 | 0 | 111.2 | W460 V464 G465 G470 V488 V489 | W460-I468 HydrophobicContact CB-CD1 3.65Å; W460-I468 VanDerWaalsContact CD1-CD1 3.47Å; W460-I468 HydrophobicContact CD2-CD1 4.14Å; W460-I468 HydrophobicContact CG-CD1 3.46Å; W460-I468 VanDerWaalsContact CG-CD1 3.46Å; V464-I468 HydrophobicContact CG1-CD1 3.78Å; V464-I468 HydrophobicContact CG1-CG1 4.48Å; V464-I468 WeakPolarHBondContact O-CD1 3.46Å; V464-I468 VanDerWaalsContact O-CG1 3.25Å; V464-I468 WeakPolarHBondContact O-CG1 3.21Å; V464-I468 PolarHBondContact O-N 3.45Å; G465-I468 PolarHBondContact O-N 3.47Å; I468-G470 VanDerWaalsContact C-N 3.29Å; I468-V488 HydrophobicContact CD1-CB 3.89Å; I468-V488 HydrophobicContact CD1-CG2 3.94Å; I468-V488 HydrophobicContact CG1-CB 4.42Å; I468-V489 HydrophobicContact CG1-CG1 4.15Å |
| 469 | T | 77 | Confident | 84.2 | Confident | 108 Ų | 108 | 27 Ų | 27 | 66% | 0.663 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -4.8 | 178.9 | 55.1 | 0 | 0 | 0 | 0 | 113.6 | G465 E466 L467 A471 | G465-T469 WeakPolarHBondContact O-CB 3.12Å; G465-T469 VanDerWaalsContact O-CG2 3.3Å; G465-T469 WeakPolarHBondContact O-CG2 3.45Å; G465-T469 PolarHBondContact O-N 3.25Å; G465-T469 PolarHBondContact O-OG1 3.18Å; E466-T469 WeakPolarHBondContact CA-OG1 3.45Å; E466-T469 PolarHBondContact O-OG1 2.91Å; L467-T469 VanDerWaalsContact C-N 3.3Å; L467-T469 PolarHBondContact O-N 2.62Å; T469-A471 PolarHBondContact O-N 3.45Å |
| 470 | G | 74.7 | Confident | 85.2 | Confident | 23 Ų | 23 | 19.4 Ų | 19.4 | 24% | 0.237 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.1 | 16.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | E466 L467 I468 A472 | E466-G470 PolarHBondContact O-N 3.16Å; L467-G470 PolarHBondContact O-N 3.36Å; I468-G470 VanDerWaalsContact C-N 3.29Å; G470-A472 PolarHBondContact O-N 2.98Å |
| 471 | A | 74.4 | Confident | 85.8 | Confident | 38 Ų | 38 | 18.8 Ų | 18.8 | 31% | 0.314 | 12% | 0.116 | S | C | . | . | S | Bend | trans | -68 | -23.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | E466 T469 | E466-A471 HydrophobicContact CB-CB 4.07Å; E466-A471 HydrophobicContact CG-CB 4.2Å; E466-A471 PolarHBondContact O-N 3.26Å; T469-A471 PolarHBondContact O-N 3.45Å |
| 472 | A | 83.2 | Confident | 85.9 | Confident | 0 Ų | 0 | 19.5 Ų | 19.5 | 0% | 0 | 12% | 0.12 | C | C | . | . | trans | -138.7 | 148.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R395 S397 E466 L467 G470 | R395-A472 CarbonylContact O-C 3.48Å; R395-A472 VanDerWaalsContact O-CA 3.3Å; R395-A472 WeakPolarHBondContact O-CA 3.43Å; S397-A472 VanDerWaalsContact CB-CB 3.44Å; S397-A472 WeakPolarHBondContact OG-CB 3.5Å; E466-A472 HydrophobicContact CB-CB 4.29Å; E466-A472 PolarHBondContact O-N 3.1Å; L467-A472 HydrophobicContact CD2-CB 4.31Å; G470-A472 PolarHBondContact O-N 2.98Å | ||
| 473 | D | 84.4 | Confident | 85.6 | Confident | 21 Ų | 21 | 23.7 Ų | 23.7 | 11% | 0.112 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -98.5 | -18.1 | 177.5 | -53.5 | -58.9 | 0 | 0 | 0 | 112.7 | W394 R395 P733 | W394-D473 VanDerWaalsContact CA-OD2 3.22Å; W394-D473 WeakPolarHBondContact CA-OD2 3.17Å; W394-D473 HydrophobicContact CE3-CB 3.65Å; W394-D473 HydrophobicContact CZ3-CB 4.26Å; R395-D473 PolarHBondContact N-OD2 2.9Å; R395-D473 PolarHBondContact O-N 3.41Å; D473-P733 WeakPolarHBondContact O-CD 3.27Å |
| 474 | L | 91.2 | Very high | 85.2 | Confident | 26 Ų | 26 | 26.7 Ų | 26.7 | 14% | 0.136 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 138.5 | 179.6 | -69.2 | 171.3 | 0 | 0 | 0 | 110 | G396 S397 V476 I730 T732 L738 I742 | G396-L474 CarbonylContact C-O 3.47Å; G396-L474 WeakPolarHBondContact CA-O 3.5Å; S397-L474 PolarHBondContact N-O 2.99Å; L474-V476 HydrophobicContact CB-CG2 4.5Å; L474-I730 HydrophobicContact CD2-CG2 3.96Å; L474-T732 HydrophobicContact CD2-CG2 3.56Å; L474-L738 HydrophobicContact CD1-CD1 3.93Å; L474-L738 HydrophobicContact CD2-CB 4.25Å; L474-L738 HydrophobicContact CD2-CD1 4.03Å; L474-L738 HydrophobicContact CG-CD1 3.95Å; L474-I742 HydrophobicContact CD1-CD1 4.21Å; L474-I742 HydrophobicContact CD2-CD1 3.28Å; L474-I742 HydrophobicContact CG-CD1 4.39Å |
| 475 | A | 92.8 | Very high | 85.3 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 113.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | S397 M463 L467 L479 A731 | S397-A475 WeakPolarHBondContact O-CA 3.33Å; M463-A475 HydrophobicContact CB-CB 3.97Å; M463-A475 HydrophobicContact SD-CB 4.4Å; L467-A475 HydrophobicContact CD1-CB 3.66Å; L467-A475 HydrophobicContact CD2-CB 4.17Å; L467-A475 HydrophobicContact CG-CB 4.03Å; A475-L479 HydrophobicContact CB-CD2 4.41Å; A475-A731 HydrophobicContact CB-CB 4.24Å; A475-A731 PolarHBondContact N-O 3.08Å; A475-A731 PolarHBondContact O-N 3.24Å |
| 476 | V | 93.4 | Very high | 85.2 | Confident | 3 Ų | 3 | 32 Ų | 32 | 2% | 0.018 | 18% | 0.183 | C | C | . | . | trans | -117.6 | 102.4 | -179.8 | -169.7 | 0 | 0 | 0 | 0 | 108.8 | S397 V398 C425 L428 M429 L474 I730 | S397-V476 PolarHBondContact O-N 3.17Å; V398-V476 VanDerWaalsContact CG1-O 3.27Å; V398-V476 WeakPolarHBondContact CG1-O 3.08Å; C425-V476 HydrophobicContact CB-CG1 3.8Å; L428-V476 HydrophobicContact CD2-CG1 4.25Å; M429-V476 HydrophobicContact CG-CB 3.94Å; M429-V476 HydrophobicContact CG-CG1 3.94Å; M429-V476 HydrophobicContact CG-CG2 3.75Å; M429-V476 HydrophobicContact SD-CB 4Å; M429-V476 HydrophobicContact SD-CG2 3.98Å; L474-V476 HydrophobicContact CB-CG2 4.5Å; V476-I730 HydrophobicContact CG1-CG1 4.13Å; V476-I730 HydrophobicContact CG2-CD1 4.43Å; V476-I730 HydrophobicContact CG2-CG1 4.13Å; V476-I730 HydrophobicContact CG2-CG2 3.92Å | ||
| 477 | A | 93.2 | Very high | 84.9 | Confident | 2 Ų | 2 | 40.3 Ų | 40.3 | 2% | 0.017 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -157.2 | -176.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y451 M463 L479 F495 | Y451-A477 HydrophobicContact CE1-CB 4.25Å; M463-A477 HydrophobicContact CE-CB 3.58Å; M463-A477 HydrophobicContact SD-CB 3.82Å; A477-L479 PolarHBondContact O-N 3.34Å; A477-F495 WeakPolarHBondContact O-CZ 3.46Å |
| 478 | S | 92.6 | Very high | 84.7 | Confident | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.021 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -70.8 | 49.9 | 164.8 | 73 | 0 | 0 | 0 | 0 | 111.6 | N402 Y451 T480 Y728 | N402-S478 VanDerWaalsContact ND2-CB 3.34Å; N402-S478 WeakPolarHBondContact ND2-CB 3.31Å; N402-S478 PolarHBondContact ND2-OG 3.39Å; N402-S478 PolarHBondContact OD1-OG 3.46Å; Y451-S478 WeakPolarHBondContact CE1-O 3.2Å; Y451-S478 PolarHBondContact OH-OG 3.28Å; S478-T480 PolarHBondContact O-N 2.74Å; S478-Y728 WeakPolarHBondContact O-CE1 3.29Å |
| 479 | L | 92.2 | Very high | 85 | Confident | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 21% | 0.206 | C | C | . | . | trans | -82.8 | 104.3 | -177.1 | -176.7 | 65.5 | 0 | 0 | 0 | 108.4 | Y451 V464 A475 A477 I481 F491 Y728 G729 A731 | Y451-L479 HydrophobicContact CD1-CB 4.44Å; Y451-L479 HydrophobicContact CD1-CD1 3.87Å; Y451-L479 HydrophobicContact CG-CD1 4.3Å; V464-L479 HydrophobicContact CG2-CD1 4.33Å; V464-L479 HydrophobicContact CG2-CD2 4.38Å; A475-L479 HydrophobicContact CB-CD2 4.41Å; A477-L479 PolarHBondContact O-N 3.34Å; L479-I481 PolarHBondContact O-N 3.34Å; L479-F491 HydrophobicContact CB-CE1 4.5Å; L479-F491 HydrophobicContact CD2-CE1 3.62Å; L479-F491 HydrophobicContact CD2-CZ 3.92Å; L479-F491 HydrophobicContact CG-CE1 3.78Å; L479-F491 HydrophobicContact CG-CZ 4.08Å; L479-Y728 WeakPolarHBondContact O-CA 3.47Å; L479-G729 PolarHBondContact O-N 2.94Å; L479-A731 HydrophobicContact CD2-CB 3.55Å | ||
| 480 | T | 91.9 | Very high | 85.5 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.031 | 19% | 0.186 | C | C | . | . | B | Isolated β-bridge | trans | -60.6 | 126.2 | 177.8 | -35.3 | 0 | 0 | 0 | 0 | 110.8 | S478 N482 R485 S650 E701 I726 | S478-T480 PolarHBondContact O-N 2.74Å; T480-N482 PolarHBondContact O-N 2.76Å; T480-R485 PolarHBondContact O-NH1 3.01Å; T480-R485 VanDerWaalsContact O-NH1 3.12Å; T480-S650 PolarHBondContact OG1-OG 3.42Å; T480-E701 PolarHBondContact OG1-OE1 2.67Å; T480-I726 HydrophobicContact CG2-CB 3.89Å; T480-I726 HydrophobicContact CG2-CD1 3.57Å; T480-I726 HydrophobicContact CG2-CG1 4.23Å; T480-I726 HydrophobicContact CG2-CG2 4.28Å |
| 481 | I | 90.8 | Very high | 86.4 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 19% | 0.19 | 18% | 0.181 | C | C | . | . | trans | -68.7 | 117.4 | 168.9 | -53.8 | 169.8 | 0 | 0 | 0 | 107.4 | L479 F491 P494 G727 | L479-I481 PolarHBondContact O-N 3.34Å; I481-F491 HydrophobicContact CB-CG 4.42Å; I481-F491 HydrophobicContact CD1-CB 4.21Å; I481-F491 HydrophobicContact CG1-CB 4.03Å; I481-F491 HydrophobicContact CG1-CD1 3.66Å; I481-F491 HydrophobicContact CG1-CD2 4.48Å; I481-F491 HydrophobicContact CG1-CE1 4.15Å; I481-F491 HydrophobicContact CG1-CG 3.82Å; I481-F491 HydrophobicContact CG2-CB 4.33Å; I481-F491 HydrophobicContact CG2-CD2 4.08Å; I481-F491 HydrophobicContact CG2-CG 4.15Å; I481-P494 HydrophobicContact CD1-CB 4.1Å; I481-G727 WeakPolarHBondContact CG1-O 3.47Å; I481-G727 PolarHBondContact N-O 2.97Å | ||
| 482 | N | 83.2 | Confident | 87.3 | Confident | 30 Ų | 30 | 34.3 Ų | 34.3 | 16% | 0.16 | 17% | 0.168 | C | C | . | . | trans | -141.5 | 164.1 | 176 | 74.3 | 14.1 | 0 | 0 | 0 | 111 | T480 L484 R485 E486 | T480-N482 PolarHBondContact O-N 2.76Å; N482-L484 VanDerWaalsContact C-N 3.28Å; N482-L484 PolarHBondContact O-N 3.15Å; N482-L484 PolarHBondContact OD1-N 2.63Å; N482-R485 PolarHBondContact O-N 2.91Å; N482-R485 VanDerWaalsContact OD1-CB 3.24Å; N482-R485 WeakPolarHBondContact OD1-CB 3.41Å; N482-R485 WeakPolarHBondContact OD1-CG 3.34Å; N482-R485 PolarHBondContact OD1-N 2.75Å; N482-E486 VanDerWaalsContact O-CB 3.27Å; N482-E486 WeakPolarHBondContact O-CB 3.42Å; N482-E486 PolarHBondContact O-N 3.46Å | ||
| 483 | T | 81 | Confident | 87.8 | Confident | 91 Ų | 91 | 39.3 Ų | 39.3 | 56% | 0.558 | 19% | 0.19 | S | C | * | . | H | α-helix | trans | -63.2 | -29.6 | -173.6 | 56.1 | 0 | 0 | 0 | 0 | 114 | R487 | T483-R487 WeakPolarHBondContact O-CD 3.44Å; T483-R487 WeakPolarHBondContact O-CG 3.2Å |
| 484 | L | 81.4 | Confident | 88.3 | Confident | 62 Ų | 62 | 40.4 Ų | 40.4 | 33% | 0.325 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -75.3 | -40 | 178.1 | -69.9 | -170.9 | 0 | 0 | 0 | 112.2 | W460 N482 | W460-L484 HydrophobicContact CH2-CB 4.06Å; W460-L484 WeakPolarHBondContact CH2-O 3.27Å; W460-L484 WeakPolarHBondContact CZ2-O 3.33Å; N482-L484 VanDerWaalsContact C-N 3.28Å; N482-L484 PolarHBondContact O-N 3.15Å; N482-L484 PolarHBondContact OD1-N 2.63Å |
| 485 | R | 86.2 | Confident | 88.4 | Confident | 13 Ų | 13 | 39.5 Ų | 39.5 | 5% | 0.049 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -75.9 | -41.9 | 179.3 | -67.1 | 172.1 | 177.8 | 159.5 | -0.9 | 111.2 | G452 W460 V464 T480 N482 R487 V488 V489 F491 | G452-R485 PolarHBondContact O-NE 2.88Å; G452-R485 PolarHBondContact O-NH2 2.83Å; G452-R485 VanDerWaalsContact O-NH2 3.11Å; W460-R485 HydrophobicContact CH2-CG 3.95Å; W460-R485 HydrophobicContact CZ3-CG 3.84Å; V464-R485 HydrophobicContact CG2-CG 4.03Å; T480-R485 PolarHBondContact O-NH1 3.01Å; T480-R485 VanDerWaalsContact O-NH1 3.12Å; N482-R485 PolarHBondContact O-N 2.91Å; N482-R485 VanDerWaalsContact OD1-CB 3.24Å; N482-R485 WeakPolarHBondContact OD1-CB 3.41Å; N482-R485 WeakPolarHBondContact OD1-CG 3.34Å; N482-R485 PolarHBondContact OD1-N 2.75Å; R485-R487 PolarHBondContact O-N 2.8Å; R485-R487 VanDerWaalsContact O-N 3.12Å; R485-V488 WeakPolarHBondContact O-CG2 3.45Å; R485-V488 PolarHBondContact O-N 2.8Å; R485-V489 HydrophobicContact CB-CG2 4.32Å; R485-V489 WeakPolarHBondContact O-CG2 3.3Å; R485-V489 PolarHBondContact O-N 2.9Å; R485-F491 HydrophobicContact CB-CE2 3.73Å; R485-F491 HydrophobicContact CB-CZ 3.87Å |
| 486 | E | 82.4 | Confident | 88.5 | Confident | 105 Ų | 105 | 40.1 Ų | 40.1 | 49% | 0.491 | 20% | 0.197 | S | C | . | . | H | α-helix | trans | -62.2 | -20 | 177.7 | -169.5 | 173.3 | -152.7 | 0 | 0 | 112.7 | N482 V488 V489 F491 | N482-E486 VanDerWaalsContact O-CB 3.27Å; N482-E486 WeakPolarHBondContact O-CB 3.42Å; N482-E486 PolarHBondContact O-N 3.46Å; E486-V488 VanDerWaalsContact C-N 3.28Å; E486-V488 PolarHBondContact O-N 2.73Å; E486-V489 CarbonylContact C-O 3.59Å; E486-V489 WeakPolarHBondContact CA-O 3.28Å; E486-F491 HydrophobicContact CB-CD2 4.36Å |
| 487 | R | 78.5 | Confident | 88.4 | Confident | 196 Ų | 196 | 44.1 Ų | 44.1 | 74% | 0.74 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -16.9 | 172 | -79.8 | 171.4 | -179.4 | -157.6 | -0.1 | 114.4 | T483 R485 | T483-R487 WeakPolarHBondContact O-CD 3.44Å; T483-R487 WeakPolarHBondContact O-CG 3.2Å; R485-R487 PolarHBondContact O-N 2.8Å; R485-R487 VanDerWaalsContact O-N 3.12Å |
| 488 | V | 78.1 | Confident | 88.4 | Confident | 44 Ų | 44 | 44.2 Ų | 44.2 | 27% | 0.267 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | -19.5 | -170.8 | -65.7 | 0 | 0 | 0 | 0 | 113.4 | W460 V464 I468 R485 E486 | W460-V488 HydrophobicContact CD2-CG2 4.2Å; W460-V488 HydrophobicContact CH2-CG2 4.05Å; W460-V488 HydrophobicContact CZ2-CB 4.44Å; W460-V488 HydrophobicContact CZ2-CG1 4.04Å; W460-V488 HydrophobicContact CZ2-CG2 3.54Å; V464-V488 HydrophobicContact CG1-CG2 3.75Å; I468-V488 HydrophobicContact CD1-CB 3.89Å; I468-V488 HydrophobicContact CD1-CG2 3.94Å; I468-V488 HydrophobicContact CG1-CB 4.42Å; R485-V488 WeakPolarHBondContact O-CG2 3.45Å; R485-V488 PolarHBondContact O-N 2.8Å; E486-V488 VanDerWaalsContact C-N 3.28Å; E486-V488 PolarHBondContact O-N 2.73Å |
| 489 | V | 82.7 | Confident | 88.5 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 151.4 | 176.2 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | V464 L467 I468 R485 E486 F491 A731 T732 | V464-V489 HydrophobicContact CG1-CG1 3.98Å; V464-V489 HydrophobicContact CG1-CG2 4.25Å; V464-V489 HydrophobicContact CG2-CG2 4.43Å; L467-V489 HydrophobicContact CB-CG1 3.85Å; L467-V489 HydrophobicContact CD1-CB 4.3Å; L467-V489 HydrophobicContact CD1-CG1 3.91Å; I468-V489 HydrophobicContact CG1-CG1 4.15Å; R485-V489 HydrophobicContact CB-CG2 4.32Å; R485-V489 WeakPolarHBondContact O-CG2 3.3Å; R485-V489 PolarHBondContact O-N 2.9Å; E486-V489 CarbonylContact C-O 3.59Å; E486-V489 WeakPolarHBondContact CA-O 3.28Å; V489-F491 HydrophobicContact CG2-CD2 4.43Å; V489-F491 HydrophobicContact CG2-CE2 3.74Å; V489-F491 HydrophobicContact CG2-CZ 4.07Å; V489-A731 HydrophobicContact CG2-CB 4.31Å; V489-T732 WeakPolarHBondContact CB-O 3.13Å |
| 490 | D | 88.3 | Confident | 88.6 | Confident | 46 Ų | 46 | 44.1 Ų | 44.1 | 25% | 0.246 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 149.1 | 174.7 | -80.2 | -22.6 | 0 | 0 | 0 | 110.8 | A731 T732 F734 N735 | D490-A731 CarbonylContact O-C 3.55Å; D490-A731 WeakPolarHBondContact O-CA 3.46Å; D490-T732 PolarHBondContact N-O 2.82Å; D490-T732 VanDerWaalsContact N-O 3.11Å; D490-T732 PolarHBondContact O-N 3.34Å; D490-F734 WeakPolarHBondContact OD1-CD2 3.43Å; D490-F734 WeakPolarHBondContact OD1-CE2 3.34Å; D490-N735 WeakPolarHBondContact OD2-CA 3.49Å; D490-N735 PolarHBondContact OD2-N 3.49Å |
| 491 | F | 91.7 | Very high | 88.7 | Confident | 30 Ų | 30 | 43.9 Ų | 43.9 | 13% | 0.132 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 141.1 | 176.1 | -73.9 | -88.1 | 0 | 0 | 0 | 111.1 | L479 I481 R485 E486 V489 I730 A731 | L479-F491 HydrophobicContact CB-CE1 4.5Å; L479-F491 HydrophobicContact CD2-CE1 3.62Å; L479-F491 HydrophobicContact CD2-CZ 3.92Å; L479-F491 HydrophobicContact CG-CE1 3.78Å; L479-F491 HydrophobicContact CG-CZ 4.08Å; I481-F491 HydrophobicContact CB-CG 4.42Å; I481-F491 HydrophobicContact CD1-CB 4.21Å; I481-F491 HydrophobicContact CG1-CB 4.03Å; I481-F491 HydrophobicContact CG1-CD1 3.66Å; I481-F491 HydrophobicContact CG1-CD2 4.48Å; I481-F491 HydrophobicContact CG1-CE1 4.15Å; I481-F491 HydrophobicContact CG1-CG 3.82Å; I481-F491 HydrophobicContact CG2-CB 4.33Å; I481-F491 HydrophobicContact CG2-CD2 4.08Å; I481-F491 HydrophobicContact CG2-CG 4.15Å; R485-F491 HydrophobicContact CB-CE2 3.73Å; R485-F491 HydrophobicContact CB-CZ 3.87Å; E486-F491 HydrophobicContact CB-CD2 4.36Å; V489-F491 HydrophobicContact CG2-CD2 4.43Å; V489-F491 HydrophobicContact CG2-CE2 3.74Å; V489-F491 HydrophobicContact CG2-CZ 4.07Å; F491-I730 WeakPolarHBondContact CA-O 3.3Å; F491-A731 HydrophobicContact CD1-CB 3.84Å; F491-A731 HydrophobicContact CE1-CB 3.64Å; F491-A731 HydrophobicContact CZ-CB 4.11Å |
| 492 | S | 93.4 | Very high | 88.9 | Confident | 6 Ų | 6 | 42.2 Ų | 42.2 | 4% | 0.042 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -61.7 | 166.8 | 162.7 | 74.2 | 0 | 0 | 0 | 0 | 111.1 | I730 | S492-I730 PolarHBondContact N-O 3.31Å; S492-I730 PolarHBondContact OG-N 2.99Å |
| 493 | K | 93.6 | Very high | 89.5 | Confident | 105 Ų | 105 | 40.8 Ų | 40.8 | 46% | 0.457 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -48.5 | 145.2 | 158.9 | -77.8 | -20.4 | 176.6 | 177.2 | 0 | 109.9 | F495 N743 I746 L747 | K493-F495 PolarHBondContact O-N 3.23Å; K493-F495 VanDerWaalsContact O-N 3.14Å; K493-N743 WeakPolarHBondContact CB-OD1 3.45Å; K493-N743 WeakPolarHBondContact CD-OD1 3.28Å; K493-N743 WeakPolarHBondContact CG-OD1 3.35Å; K493-N743 PolarHBondContact N-OD1 3.27Å; K493-I746 HydrophobicContact CB-CG2 4.42Å; K493-L747 HydrophobicContact CB-CD2 4.33Å; K493-L747 HydrophobicContact CB-CG 4.48Å; K493-L747 HydrophobicContact CG-CD1 4.29Å; K493-L747 HydrophobicContact CG-CD2 3.85Å; K493-L747 HydrophobicContact CG-CG 4.04Å |
| 494 | P | 94.9 | Very high | 90.2 | Very high | 45 Ų | 45 | 36.7 Ų | 36.7 | 29% | 0.292 | 18% | 0.178 | S | C | . | . | P | Polyproline II helix | trans | -64.8 | 118.8 | -176.2 | 26.1 | -34 | 0 | 0 | 0 | 110 | I481 L496 Y728 | I481-P494 HydrophobicContact CD1-CB 4.1Å; P494-L496 PolarHBondContact O-N 3.33Å; P494-Y728 CarbonylContact C-O 3.6Å; P494-Y728 WeakPolarHBondContact CA-O 3.3Å |
| 495 | F | 95 | Very high | 90.7 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.026 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -77 | -17.4 | 176.9 | 64.3 | -104.1 | 0 | 0 | 0 | 112 | F424 L428 A477 K493 Y728 I730 I746 L755 | F424-F495 HydrophobicContact CD1-CE2 4.17Å; F424-F495 AromaticContact CE1-CD2 3.5Å; F424-F495 HydrophobicContact CE1-CD2 3.5Å; F424-F495 VanDerWaalsContact CE1-CD2 3.5Å; F424-F495 AromaticContact CE1-CE2 3.52Å; F424-F495 HydrophobicContact CE1-CE2 3.52Å; F424-F495 HydrophobicContact CZ-CD2 4.08Å; F424-F495 HydrophobicContact CZ-CE2 4.43Å; L428-F495 HydrophobicContact CD2-CB 4.1Å; L428-F495 HydrophobicContact CD2-CD1 3.83Å; L428-F495 HydrophobicContact CD2-CD2 3.76Å; L428-F495 HydrophobicContact CD2-CE1 4.15Å; L428-F495 HydrophobicContact CD2-CE2 4.11Å; L428-F495 HydrophobicContact CD2-CG 3.62Å; L428-F495 HydrophobicContact CD2-CZ 4.28Å; A477-F495 WeakPolarHBondContact O-CZ 3.46Å; K493-F495 PolarHBondContact O-N 3.23Å; K493-F495 VanDerWaalsContact O-N 3.14Å; F495-Y728 VanDerWaalsContact CD1-O 3.22Å; F495-Y728 WeakPolarHBondContact CD1-O 3.45Å; F495-Y728 WeakPolarHBondContact CE1-O 3.36Å; F495-Y728 HydrophobicContact CE2-CD2 4.49Å; F495-Y728 VanDerWaalsContact CZ-CB 3.48Å; F495-Y728 HydrophobicContact CZ-CG 4.48Å; F495-Y728 PolarHBondContact N-O 3.41Å; F495-I730 HydrophobicContact CD1-CG1 4Å; F495-I730 HydrophobicContact CE1-CG1 4.17Å; F495-I746 HydrophobicContact CB-CD1 3.89Å; F495-I746 HydrophobicContact CB-CG2 3.96Å; F495-L755 HydrophobicContact CB-CD1 4.23Å; F495-L755 HydrophobicContact CB-CD2 4.49Å |
| 496 | L | 93.9 | Very high | 90.8 | Very high | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.073 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.4 | 127.3 | 174.2 | -171.6 | 64.3 | 0 | 0 | 0 | 109 | F405 P494 T703 G727 Y728 E759 W763 | F405-L496 HydrophobicContact CE1-CD2 3.81Å; F405-L496 HydrophobicContact CZ-CD2 3.96Å; P494-L496 PolarHBondContact O-N 3.33Å; L496-T703 HydrophobicContact CD2-CG2 3.59Å; L496-T703 HydrophobicContact CG-CG2 4.14Å; L496-G727 WeakPolarHBondContact O-CA 3.34Å; L496-Y728 HydrophobicContact CB-CD2 4.06Å; L496-Y728 HydrophobicContact CD2-CD2 3.97Å; L496-Y728 HydrophobicContact CD2-CE2 4.12Å; L496-Y728 HydrophobicContact CG-CD2 4.32Å; L496-Y728 PolarHBondContact O-N 2.88Å; L496-E759 HydrophobicContact CD1-CG 4.18Å; L496-W763 HydrophobicContact CD2-CH2 4.04Å; L496-W763 HydrophobicContact CD2-CZ2 4.3Å |
| 497 | T | 92.4 | Very high | 90.7 | Very high | 86 Ų | 86 | 36 Ų | 36 | 53% | 0.528 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 134.3 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 109.3 | T725 | T497-T725 HydrophobicContact CG2-CG2 3.56Å |
| 498 | T | 92.9 | Very high | 90.4 | Very high | 5 Ų | 5 | 33.8 Ų | 33.8 | 3% | 0.031 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.9 | -172.4 | -177.7 | -166.3 | 0 | 0 | 0 | 0 | 110.2 | A702 T703 I726 Y728 | T498-A702 PolarHBondContact OG1-N 3.32Å; T498-T703 WeakPolarHBondContact OG1-CG2 3.19Å; T498-T703 PolarHBondContact OG1-N 2.86Å; T498-T703 PolarHBondContact OG1-OG1 3.5Å; T498-I726 CarbonylContact C-O 3.57Å; T498-I726 HydrophobicContact CG2-CD1 3.99Å; T498-I726 HydrophobicContact CG2-CG1 3.8Å; T498-I726 PolarHBondContact N-O 2.97Å; T498-I726 PolarHBondContact O-N 2.69Å; T498-Y728 HydrophobicContact CG2-CE1 3.94Å; T498-Y728 HydrophobicContact CG2-CE2 4.01Å |
| 499 | G | 93.1 | Very high | 89.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.194 | C | C | . | . | trans | -168.6 | 168.1 | 179 | 0 | 0 | 0 | 0 | 0 | 110.9 | S501 E701 A702 N722 N724 | G499-S501 PolarHBondContact O-N 3.26Å; G499-E701 CarbonylContact O-C 3.59Å; G499-E701 WeakPolarHBondContact O-CA 3.3Å; G499-A702 WeakPolarHBondContact O-CB 3.16Å; G499-A702 PolarHBondContact O-N 2.88Å; G499-N722 PolarHBondContact N-ND2 3.36Å; G499-N724 WeakPolarHBondContact CA-O 3.49Å | ||
| 500 | I | 94.9 | Very high | 88.5 | Confident | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 129.1 | 173.3 | -61.7 | 163.9 | 0 | 0 | 0 | 107.8 | T651 F654 F655 L699 N722 L723 N724 | I500-T651 HydrophobicContact CD1-CG2 4.01Å; I500-T651 HydrophobicContact CG1-CG2 4.06Å; I500-T651 HydrophobicContact CG2-CG2 4.18Å; I500-F654 HydrophobicContact CD1-CB 3.94Å; I500-F654 HydrophobicContact CD1-CD1 3.18Å; I500-F654 HydrophobicContact CD1-CD2 4.24Å; I500-F654 HydrophobicContact CD1-CE1 3.64Å; I500-F654 HydrophobicContact CD1-CG 3.52Å; I500-F654 HydrophobicContact CD1-CZ 4.33Å; I500-F655 HydrophobicContact CD1-CE2 4.27Å; I500-F655 HydrophobicContact CG2-CE2 4.14Å; I500-F655 HydrophobicContact CG2-CZ 4.41Å; I500-L699 HydrophobicContact CG2-CB 4.31Å; I500-L699 HydrophobicContact CG2-CD2 4.42Å; I500-N722 CarbonylContact O-C 3.57Å; I500-N722 VanDerWaalsContact O-CA 3.23Å; I500-N722 WeakPolarHBondContact O-CA 3.3Å; I500-L723 HydrophobicContact CB-CB 4.28Å; I500-L723 HydrophobicContact CG2-CD2 4.16Å; I500-L723 WeakPolarHBondContact O-CD1 3.32Å; I500-L723 PolarHBondContact O-N 2.8Å; I500-N724 WeakPolarHBondContact CG1-OD1 3.48Å; I500-N724 PolarHBondContact N-OD1 2.89Å |
| 501 | S | 94.8 | Very high | 87 | Confident | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 159.9 | -178.4 | 71.3 | 0 | 0 | 0 | 0 | 110.6 | G499 L699 L700 A702 N705 | G499-S501 PolarHBondContact O-N 3.26Å; S501-L699 WeakPolarHBondContact O-CA 3.44Å; S501-L700 PolarHBondContact N-O 2.85Å; S501-L700 PolarHBondContact O-N 3.31Å; S501-L700 VanDerWaalsContact O-N 3.1Å; S501-L700 PolarHBondContact OG-O 3.38Å; S501-A702 WeakPolarHBondContact OG-CA 3.16Å; S501-N705 WeakPolarHBondContact OG-CB 3.29Å; S501-N705 PolarHBondContact OG-ND2 2.95Å |
| 502 | I | 95.6 | Very high | 85.5 | Confident | 2 Ų | 2 | 55.3 Ų | 55.3 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.1 | 176.9 | -55.2 | 168.6 | 0 | 0 | 0 | 107.8 | I504 I629 V632 L635 A697 L699 N705 K718 V719 L723 | I502-I504 HydrophobicContact CG2-CG2 4.23Å; I502-I629 HydrophobicContact CG2-CD1 3.94Å; I502-V632 HydrophobicContact CD1-CB 4.14Å; I502-L635 HydrophobicContact CD1-CD2 4.11Å; I502-L635 HydrophobicContact CG1-CD2 4.42Å; I502-L635 HydrophobicContact CG2-CD2 4.1Å; I502-A697 HydrophobicContact CG2-CB 4.04Å; I502-L699 HydrophobicContact CG1-CD2 4.44Å; I502-L699 HydrophobicContact CG1-CG 4.33Å; I502-N705 PolarHBondContact O-ND2 3.35Å; I502-K718 WeakPolarHBondContact O-CA 3.22Å; I502-V719 HydrophobicContact CB-CB 4.46Å; I502-V719 PolarHBondContact O-N 2.96Å; I502-L723 HydrophobicContact CD1-CD1 4.38Å; I502-L723 HydrophobicContact CG1-CD1 4.17Å |
| 503 | M | 95.6 | Very high | 84.4 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.5 | 169.4 | -178.3 | -174.4 | -77.7 | 0 | 0 | 109.5 | I686 V689 A697 F698 L700 N705 A708 T716 | M503-I686 HydrophobicContact CE-CG1 4.02Å; M503-I686 HydrophobicContact SD-CG1 4.04Å; M503-V689 HydrophobicContact CG-CG1 4.16Å; M503-V689 HydrophobicContact CG-CG2 4.43Å; M503-V689 HydrophobicContact SD-CB 4.4Å; M503-V689 HydrophobicContact SD-CG1 4.44Å; M503-V689 HydrophobicContact SD-CG2 4.32Å; M503-A697 WeakPolarHBondContact O-CA 3.33Å; M503-F698 HydrophobicContact CB-CB 4.43Å; M503-F698 WeakPolarHBondContact CB-O 3.42Å; M503-F698 PolarHBondContact N-O 3.3Å; M503-F698 PolarHBondContact O-N 3.01Å; M503-L700 HydrophobicContact CB-CD2 3.63Å; M503-L700 HydrophobicContact CE-CD1 4.04Å; M503-L700 HydrophobicContact CE-CD2 4.17Å; M503-N705 WeakPolarHBondContact CB-OD1 3.41Å; M503-N705 HydrophobicContact CE-CB 4.11Å; M503-N705 WeakPolarHBondContact CE-OD1 3.5Å; M503-N705 WeakPolarHBondContact CG-OD1 3.36Å; M503-A708 HydrophobicContact CE-CB 3.67Å; M503-T716 HydrophobicContact CG-CG2 4.37Å; M503-T716 HydrophobicContact SD-CG2 4.09Å |
| 504 | I | 94.2 | Very high | 83.5 | Confident | 5 Ų | 5 | 56 Ų | 56 | 3% | 0.026 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 162.8 | 167.1 | 61.9 | 167 | 0 | 0 | 0 | 110.3 | I502 A627 P628 I629 V689 A697 T716 M717 V719 | I502-I504 HydrophobicContact CG2-CG2 4.23Å; I504-A627 HydrophobicContact CD1-CB 4.35Å; I504-P628 HydrophobicContact CD1-CG 4.24Å; I504-I629 HydrophobicContact CD1-CG1 4.49Å; I504-I629 HydrophobicContact CG2-CD1 3.68Å; I504-I629 HydrophobicContact CG2-CG1 4.24Å; I504-V689 VanDerWaalsContact C-CG1 3.44Å; I504-A697 HydrophobicContact CG2-CB 3.93Å; I504-T716 CarbonylContact O-C 3.38Å; I504-T716 WeakPolarHBondContact O-CA 3.23Å; I504-M717 HydrophobicContact CD1-CG 4.29Å; I504-M717 HydrophobicContact CD1-SD 4.49Å; I504-M717 HydrophobicContact CG1-CG 3.81Å; I504-M717 PolarHBondContact N-O 3.27Å; I504-M717 VanDerWaalsContact N-O 3.09Å; I504-M717 PolarHBondContact O-N 2.85Å; I504-V719 HydrophobicContact CD1-CG2 3.42Å; I504-V719 VanDerWaalsContact CD1-CG2 3.42Å; I504-V719 HydrophobicContact CG1-CG2 3.56Å |
| 505 | K | 92.8 | Very high | 82.7 | Confident | 53 Ų | 53 | 57.9 Ų | 57.9 | 23% | 0.23 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 132.7 | 163.5 | -166.3 | 170.5 | -174.4 | 163.5 | 0 | 108.6 | V689 R690 D715 | K505-V689 HydrophobicContact CB-CG1 4.28Å; K505-V689 VanDerWaalsContact N-CG1 3.26Å; K505-R690 PolarHBondContact NZ-O 3.48Å; K505-D715 CarbonylContact C-O 3.59Å; K505-D715 WeakPolarHBondContact CA-O 3.49Å; K505-D715 WeakPolarHBondContact CG-O 3.49Å |
| 506 | K | 88 | Confident | 81.7 | Confident | 73 Ų | 73 | 58 Ų | 58 | 32% | 0.317 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -53.6 | 130.1 | 169.8 | -78.4 | -179.8 | -177.1 | 166.5 | 0 | 107.7 | D508 M625 C714 D715 T716 M717 | K506-D508 PolarHBondContact O-N 2.8Å; K506-M625 HydrophobicContact CD-CE 4.44Å; K506-C714 WeakPolarHBondContact CD-O 3.38Å; K506-C714 WeakPolarHBondContact CE-O 3.31Å; K506-C714 PolarHBondContact NZ-O 2.95Å; K506-D715 WeakPolarHBondContact CB-O 3.31Å; K506-D715 PolarHBondContact N-O 3.25Å; K506-T716 VanDerWaalsContact CE-O 3.27Å; K506-T716 WeakPolarHBondContact CE-O 3.42Å; K506-M717 HydrophobicContact CG-CB 3.75Å; K506-M717 HydrophobicContact CG-CG 3.81Å; K506-M717 HydrophobicContact CG-SD 3.98Å |
| 507 | P | 80.8 | Confident | 81 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 26% | 0.26 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 141.9 | 172.9 | 26.2 | -31.8 | 0 | 0 | 0 | 108.7 | K509 M625 | P507-K509 PolarHBondContact O-N 3.07Å; P507-M625 HydrophobicContact CG-SD 4.42Å |
| 508 | D | 71.8 | Confident | 80.6 | Confident | 148 Ų | 148 | 58.6 Ų | 58.6 | 79% | 0.791 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -57.6 | 136.6 | 170.6 | -64.6 | -47.7 | 0 | 0 | 0 | 108.2 | K506 Q510 | K506-D508 PolarHBondContact O-N 2.8Å; D508-Q510 PolarHBondContact O-N 3.4Å |
| 509 | K | 63.9 | Low | 80 | Confident | 139 Ų | 139 | 63.5 Ų | 63.5 | 60% | 0.604 | 31% | 0.311 | S | S | * | . | P | Polyproline II helix | trans | -53.7 | 120.8 | 174.6 | -71 | -166.2 | 178 | -154.6 | 0 | 106.9 | P507 E511 E623 M625 | P507-K509 PolarHBondContact O-N 3.07Å; K509-E511 PolarHBondContact O-N 2.84Å; K509-E623 IonicContact NZ-OE1 3.94Å; K509-E623 IonicContact NZ-OE2 2.84Å; K509-E623 PolarHBondContact NZ-OE2 3.21Å; K509-M625 HydrophobicContact CG-SD 4.41Å |
| 510 | Q | 58 | Low | 79.7 | Confident | 164 Ų | 164 | 64.4 Ų | 64.4 | 77% | 0.766 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -50.8 | 117.6 | -179 | -146.2 | 166.3 | -0.8 | 0 | 0 | 107.7 | D508 I512 | D508-Q510 PolarHBondContact O-N 3.4Å; Q510-I512 PolarHBondContact O-N 2.86Å |
| 511 | E | 55.8 | Low | 79.5 | Confident | 188 Ų | 188 | 65.3 Ų | 65.3 | 88% | 0.879 | 32% | 0.321 | S | S | * | . | trans | -55.4 | 114 | -176.5 | -66.6 | -173.7 | -171.8 | 0 | 0 | 107.5 | K509 S513 | K509-E511 PolarHBondContact O-N 2.84Å; E511-S513 PolarHBondContact O-N 3.48Å | ||
| 512 | I | 61.2 | Low | 79.2 | Confident | 81 Ų | 81 | 68.1 Ų | 68.1 | 42% | 0.415 | 34% | 0.341 | S | S | . | . | trans | -61.5 | 112.4 | -179.7 | -62 | 174.1 | 0 | 0 | 0 | 105.3 | Q510 I514 S516 K785 | Q510-I512 PolarHBondContact O-N 2.86Å; I512-I514 PolarHBondContact O-N 3.12Å; I512-S516 VanDerWaalsContact CG2-OG 3.3Å; I512-S516 WeakPolarHBondContact CG2-OG 3.45Å; I512-K785 HydrophobicContact CD1-CD 4.12Å; I512-K785 VanDerWaalsContact CD1-CE 3.48Å; I512-K785 HydrophobicContact CD1-CG 3.81Å; I512-K785 HydrophobicContact CG2-CG 4.44Å | ||
| 513 | S | 69.3 | Low | 79 | Confident | 56 Ų | 56 | 72 Ų | 72 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | trans | -51.8 | 134.9 | 174.1 | 173.7 | 0 | 0 | 0 | 0 | 108.5 | E511 F515 S516 | E511-S513 PolarHBondContact O-N 3.48Å; S513-F515 PolarHBondContact O-N 2.54Å; S513-F515 PolarHBondContact OG-N 3.27Å; S513-S516 WeakPolarHBondContact O-CB 3.21Å; S513-S516 PolarHBondContact O-N 2.76Å; S513-S516 PolarHBondContact O-OG 3.4Å; S513-S516 VanDerWaalsContact O-OG 3.09Å | ||
| 514 | I | 74.9 | Confident | 78.9 | Confident | 70 Ų | 70 | 78.6 Ų | 78.6 | 36% | 0.359 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -21.3 | 174.8 | 52.3 | 169.2 | 0 | 0 | 0 | 112.3 | I512 A787 G788 Y791 | I512-I514 PolarHBondContact O-N 3.12Å; I514-A787 HydrophobicContact CG2-CB 4.41Å; I514-G788 VanDerWaalsContact O-CA 3.23Å; I514-G788 WeakPolarHBondContact O-CA 3.22Å; I514-G788 PolarHBondContact O-N 3.43Å; I514-Y791 HydrophobicContact CD1-CD2 4.13Å; I514-Y791 HydrophobicContact CD1-CE2 3.99Å |
| 515 | F | 79 | Confident | 78.8 | Confident | 84 Ų | 84 | 80.7 Ų | 80.7 | 37% | 0.368 | 42% | 0.417 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 22.5 | 174.2 | -60.9 | -70.7 | 0 | 0 | 0 | 113.9 | S513 F517 M518 I792 | S513-F515 PolarHBondContact O-N 2.54Å; S513-F515 PolarHBondContact OG-N 3.27Å; F515-F517 HydrophobicContact CB-CE1 4.41Å; F515-F517 AromaticContact CD1-CE1 3.84Å; F515-F517 HydrophobicContact CD1-CE1 3.84Å; F515-F517 AromaticContact CD1-CZ 3.84Å; F515-F517 HydrophobicContact CD1-CZ 3.84Å; F515-F517 PolarHBondContact O-N 2.88Å; F515-F517 VanDerWaalsContact O-N 3.14Å; F515-M518 HydrophobicContact CB-SD 4.35Å; F515-M518 HydrophobicContact CD1-SD 4.37Å; F515-M518 WeakPolarHBondContact O-CB 2.92Å; F515-M518 PolarHBondContact O-N 3.31Å; F515-I792 HydrophobicContact CE1-CD1 4.47Å; F515-I792 HydrophobicContact CE1-CG1 4.41Å |
| 516 | S | 73.6 | Confident | 78.9 | Confident | 10 Ų | 10 | 82.3 Ų | 82.3 | 7% | 0.07 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -55.1 | -29.9 | 178.6 | 52.9 | 0 | 0 | 0 | 0 | 113.5 | I512 S513 M518 Q519 | I512-S516 VanDerWaalsContact CG2-OG 3.3Å; I512-S516 WeakPolarHBondContact CG2-OG 3.45Å; S513-S516 WeakPolarHBondContact O-CB 3.21Å; S513-S516 PolarHBondContact O-N 2.76Å; S513-S516 PolarHBondContact O-OG 3.4Å; S513-S516 VanDerWaalsContact O-OG 3.09Å; S516-M518 PolarHBondContact O-N 3.43Å; S516-M518 VanDerWaalsContact O-N 3.13Å; S516-Q519 WeakPolarHBondContact O-CB 3.32Å; S516-Q519 PolarHBondContact O-N 3.33Å |
| 517 | F | 79 | Confident | 79.1 | Confident | 31 Ų | 31 | 83.7 Ų | 83.7 | 14% | 0.136 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -60.5 | -20.1 | 173.6 | 68.5 | -90.4 | 0 | 0 | 0 | 113.5 | F515 P520 Y612 I789 I792 | F515-F517 HydrophobicContact CB-CE1 4.41Å; F515-F517 AromaticContact CD1-CE1 3.84Å; F515-F517 HydrophobicContact CD1-CE1 3.84Å; F515-F517 AromaticContact CD1-CZ 3.84Å; F515-F517 HydrophobicContact CD1-CZ 3.84Å; F515-F517 PolarHBondContact O-N 2.88Å; F515-F517 VanDerWaalsContact O-N 3.14Å; F517-P520 WeakPolarHBondContact O-CD 3.41Å; F517-Y612 VanDerWaalsContact O-CE2 3.31Å; F517-Y612 WeakPolarHBondContact O-CE2 3.24Å; F517-Y612 PolarHBondContact O-OH 3.06Å; F517-I789 HydrophobicContact CD1-CG1 3.97Å; F517-I789 HydrophobicContact CE1-CG1 4.15Å; F517-I789 HydrophobicContact CG-CG1 4.33Å; F517-I792 HydrophobicContact CE2-CD1 3.99Å; F517-I792 HydrophobicContact CZ-CD1 3.46Å; F517-I792 VanDerWaalsContact CZ-CD1 3.46Å |
| 518 | M | 83.1 | Confident | 79.8 | Confident | 81 Ų | 81 | 88.5 Ų | 88.5 | 40% | 0.399 | 45% | 0.449 | S | S | . | . | G | 310 helix | trans | -82.4 | -19.8 | 175.2 | -63.4 | -176.7 | 70.7 | 0 | 0 | 113.4 | F515 S516 W526 | F515-M518 HydrophobicContact CB-SD 4.35Å; F515-M518 HydrophobicContact CD1-SD 4.37Å; F515-M518 WeakPolarHBondContact O-CB 2.92Å; F515-M518 PolarHBondContact O-N 3.31Å; S516-M518 PolarHBondContact O-N 3.43Å; S516-M518 VanDerWaalsContact O-N 3.13Å; M518-W526 PolarHBondContact O-NE1 2.95Å |
| 519 | Q | 81.6 | Confident | 80.9 | Confident | 108 Ų | 108 | 82.1 Ų | 82.1 | 51% | 0.505 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -25.8 | -176.3 | -67 | -177.7 | -35 | 0 | 0 | 116.8 | S516 L521 | S516-Q519 WeakPolarHBondContact O-CB 3.32Å; S516-Q519 PolarHBondContact O-N 3.33Å; Q519-L521 PolarHBondContact O-N 2.89Å; Q519-L521 VanDerWaalsContact O-N 3.09Å |
| 520 | P | 85.9 | Confident | 82.2 | Confident | 18 Ų | 18 | 79.4 Ų | 79.4 | 12% | 0.117 | 41% | 0.41 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -21.5 | 178.5 | -26.3 | 34.9 | 0 | 0 | 0 | 114.6 | F517 Y612 N615 L616 | F517-P520 WeakPolarHBondContact O-CD 3.41Å; P520-Y612 HydrophobicContact CB-CD2 4.11Å; P520-Y612 HydrophobicContact CB-CE2 4.23Å; P520-Y612 HydrophobicContact CG-CD2 4.49Å; P520-Y612 HydrophobicContact CG-CE2 4.13Å; P520-N615 HydrophobicContact CB-CB 3.91Å; P520-L616 HydrophobicContact CG-CB 3.91Å; P520-L616 HydrophobicContact CG-CD1 3.78Å; P520-L616 HydrophobicContact CG-CG 4.44Å |
| 521 | L | 89.7 | Confident | 84 | Confident | 20 Ų | 20 | 76.3 Ų | 76.3 | 11% | 0.105 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -122.4 | 135.7 | 173.4 | -63.3 | 173.8 | 0 | 0 | 0 | 108.7 | Q519 V525 W526 I529 Y612 | Q519-L521 PolarHBondContact O-N 2.89Å; Q519-L521 VanDerWaalsContact O-N 3.09Å; L521-V525 HydrophobicContact CB-CB 4.41Å; L521-V525 HydrophobicContact CB-CG1 4.37Å; L521-V525 HydrophobicContact CD2-CG1 4.09Å; L521-W526 HydrophobicContact CD1-CH2 4.5Å; L521-W526 HydrophobicContact CD1-CZ2 4.12Å; L521-W526 PolarHBondContact O-NE1 2.8Å; L521-I529 HydrophobicContact CD1-CD1 4.06Å; L521-Y612 HydrophobicContact CD1-CD2 3.88Å; L521-Y612 HydrophobicContact CD1-CG 4.48Å; L521-Y612 HydrophobicContact CG-CD2 4.07Å |
| 522 | S | 90.3 | Very high | 85.8 | Confident | 59 Ų | 59 | 68.8 Ų | 68.8 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | trans | -67.1 | 157.7 | 177.2 | 69.1 | 0 | 0 | 0 | 0 | 111.4 | E524 V525 W526 | S522-E524 PolarHBondContact O-N 3.46Å; S522-E524 VanDerWaalsContact O-N 3.17Å; S522-V525 PolarHBondContact O-N 2.9Å; S522-V525 WeakPolarHBondContact OG-CG2 3.44Å; S522-V525 PolarHBondContact OG-N 2.94Å; S522-W526 PolarHBondContact O-N 3.2Å; S522-W526 VanDerWaalsContact O-N 3.09Å | ||
| 523 | A | 89.9 | Confident | 87.3 | Confident | 84 Ų | 84 | 65.6 Ų | 65.6 | 69% | 0.694 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.3 | -31.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | W526 L527 | A523-W526 PolarHBondContact O-N 3.18Å; A523-L527 PolarHBondContact O-N 3.31Å |
| 524 | E | 93.3 | Very high | 88.5 | Confident | 139 Ų | 139 | 65.7 Ų | 65.7 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -63.7 | -44.8 | 174.7 | -60.9 | 172.8 | 174.5 | 0 | 0 | 111.6 | S522 L527 F528 | S522-E524 PolarHBondContact O-N 3.46Å; S522-E524 VanDerWaalsContact O-N 3.17Å; E524-L527 WeakPolarHBondContact O-CB 3.41Å; E524-L527 PolarHBondContact O-N 3.16Å; E524-F528 WeakPolarHBondContact O-CD2 3.46Å; E524-F528 PolarHBondContact O-N 2.89Å |
| 525 | V | 93.5 | Very high | 89.4 | Confident | 48 Ų | 48 | 63.9 Ų | 63.9 | 29% | 0.291 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 177.8 | 177.5 | 0 | 0 | 0 | 0 | 111 | L521 S522 L527 F528 I529 | L521-V525 HydrophobicContact CB-CB 4.41Å; L521-V525 HydrophobicContact CB-CG1 4.37Å; L521-V525 HydrophobicContact CD2-CG1 4.09Å; S522-V525 PolarHBondContact O-N 2.9Å; S522-V525 WeakPolarHBondContact OG-CG2 3.44Å; S522-V525 PolarHBondContact OG-N 2.94Å; V525-L527 VanDerWaalsContact C-N 3.31Å; V525-L527 PolarHBondContact O-N 3.48Å; V525-F528 PolarHBondContact O-N 2.63Å; V525-I529 HydrophobicContact CG1-CD1 3.92Å; V525-I529 HydrophobicContact CG1-CG1 4.37Å; V525-I529 VanDerWaalsContact O-CG1 3.3Å; V525-I529 WeakPolarHBondContact O-CG1 3.33Å; V525-I529 PolarHBondContact O-N 2.93Å |
| 526 | W | 93.6 | Very high | 90 | Very high | 88 Ų | 88 | 61.3 Ų | 61.3 | 33% | 0.333 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 173.5 | -78.5 | 112.4 | 0 | 0 | 0 | 112.7 | M518 L521 S522 A523 I529 T530 Y612 | M518-W526 PolarHBondContact O-NE1 2.95Å; L521-W526 HydrophobicContact CD1-CH2 4.5Å; L521-W526 HydrophobicContact CD1-CZ2 4.12Å; L521-W526 PolarHBondContact O-NE1 2.8Å; S522-W526 PolarHBondContact O-N 3.2Å; S522-W526 VanDerWaalsContact O-N 3.09Å; A523-W526 PolarHBondContact O-N 3.18Å; W526-I529 HydrophobicContact CE3-CD1 4.43Å; W526-I529 PolarHBondContact O-N 2.84Å; W526-T530 PolarHBondContact O-N 2.82Å; W526-T530 VanDerWaalsContact O-N 3.08Å; W526-T530 PolarHBondContact O-OG1 2.83Å; W526-Y612 HydrophobicContact CZ2-CE2 4.28Å |
| 527 | L | 94 | Very high | 91 | Very high | 102 Ų | 102 | 60.9 Ų | 60.9 | 53% | 0.534 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 174.5 | -180 | 64.8 | 0 | 0 | 0 | 110.9 | A523 E524 V525 I529 T530 I531 | A523-L527 PolarHBondContact O-N 3.31Å; E524-L527 WeakPolarHBondContact O-CB 3.41Å; E524-L527 PolarHBondContact O-N 3.16Å; V525-L527 VanDerWaalsContact C-N 3.31Å; V525-L527 PolarHBondContact O-N 3.48Å; L527-I529 PolarHBondContact O-N 2.81Å; L527-T530 PolarHBondContact O-N 3.1Å; L527-I531 HydrophobicContact CD1-CD1 4.12Å; L527-I531 HydrophobicContact CD1-CG1 4.45Å; L527-I531 HydrophobicContact CG-CD1 3.91Å; L527-I531 WeakPolarHBondContact O-CG1 3.4Å; L527-I531 PolarHBondContact O-N 2.94Å |
| 528 | F | 95.4 | Very high | 91.6 | Very high | 140 Ų | 140 | 63.2 Ų | 63.2 | 61% | 0.614 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -63.4 | -37.5 | 177.5 | -73.4 | -58.5 | 0 | 0 | 0 | 113.2 | E524 V525 T530 I531 A532 | E524-F528 WeakPolarHBondContact O-CD2 3.46Å; E524-F528 PolarHBondContact O-N 2.89Å; V525-F528 PolarHBondContact O-N 2.63Å; F528-T530 VanDerWaalsContact C-N 3.35Å; F528-I531 PolarHBondContact O-N 2.86Å; F528-A532 WeakPolarHBondContact O-CB 3.47Å; F528-A532 PolarHBondContact O-N 2.86Å |
| 529 | I | 93.6 | Very high | 92 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 7% | 0.072 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -63.1 | -42.8 | 174.6 | -68.4 | 164 | 0 | 0 | 0 | 110.7 | L521 V525 W526 L527 A532 C533 I608 | L521-I529 HydrophobicContact CD1-CD1 4.06Å; V525-I529 HydrophobicContact CG1-CD1 3.92Å; V525-I529 HydrophobicContact CG1-CG1 4.37Å; V525-I529 VanDerWaalsContact O-CG1 3.3Å; V525-I529 WeakPolarHBondContact O-CG1 3.33Å; V525-I529 PolarHBondContact O-N 2.93Å; W526-I529 HydrophobicContact CE3-CD1 4.43Å; W526-I529 PolarHBondContact O-N 2.84Å; L527-I529 PolarHBondContact O-N 2.81Å; I529-A532 PolarHBondContact O-N 3.28Å; I529-C533 WeakPolarHBondContact O-CB 3.15Å; I529-C533 PolarHBondContact O-N 3.14Å; I529-I608 HydrophobicContact CD1-CG2 3.75Å; I529-I608 HydrophobicContact CG1-CG2 4.37Å |
| 530 | T | 92.5 | Very high | 92.5 | Very high | 83 Ų | 83 | 57.7 Ų | 57.7 | 51% | 0.509 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -64.8 | -45.8 | 179.1 | -54.4 | 0 | 0 | 0 | 0 | 111.1 | W526 L527 F528 A532 C533 C534 | W526-T530 PolarHBondContact O-N 2.82Å; W526-T530 VanDerWaalsContact O-N 3.08Å; W526-T530 PolarHBondContact O-OG1 2.83Å; L527-T530 PolarHBondContact O-N 3.1Å; F528-T530 VanDerWaalsContact C-N 3.35Å; T530-A532 VanDerWaalsContact C-N 3.34Å; T530-A532 PolarHBondContact O-N 3.38Å; T530-C533 WeakPolarHBondContact O-CB 3.41Å; T530-C533 PolarHBondContact O-N 3.32Å; T530-C534 PolarHBondContact O-N 2.87Å; T530-C534 VanDerWaalsContact O-N 3.15Å |
| 531 | I | 94.6 | Very high | 92.7 | Very high | 98 Ų | 98 | 61 Ų | 61 | 50% | 0.503 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 175.5 | -67.8 | 169.3 | 0 | 0 | 0 | 110.6 | L527 F528 C533 C534 G535 | L527-I531 HydrophobicContact CD1-CD1 4.12Å; L527-I531 HydrophobicContact CD1-CG1 4.45Å; L527-I531 HydrophobicContact CG-CD1 3.91Å; L527-I531 WeakPolarHBondContact O-CG1 3.4Å; L527-I531 PolarHBondContact O-N 2.94Å; F528-I531 PolarHBondContact O-N 2.86Å; I531-C533 VanDerWaalsContact C-N 3.35Å; I531-C533 PolarHBondContact O-N 3.48Å; I531-C534 PolarHBondContact O-N 2.93Å; I531-G535 PolarHBondContact O-N 3.08Å |
| 532 | A | 94.1 | Very high | 92.7 | Very high | 30 Ų | 30 | 63.6 Ų | 63.6 | 25% | 0.248 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.3 | -40 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F528 I529 T530 G535 V536 W601 | F528-A532 WeakPolarHBondContact O-CB 3.47Å; F528-A532 PolarHBondContact O-N 2.86Å; I529-A532 PolarHBondContact O-N 3.28Å; T530-A532 VanDerWaalsContact C-N 3.34Å; T530-A532 PolarHBondContact O-N 3.38Å; A532-G535 PolarHBondContact O-N 3.47Å; A532-V536 WeakPolarHBondContact O-CB 3.43Å; A532-V536 WeakPolarHBondContact O-CG2 3.47Å; A532-V536 PolarHBondContact O-N 3.43Å; A532-W601 HydrophobicContact CB-CH2 4.2Å; A532-W601 HydrophobicContact CB-CZ3 4.1Å |
| 533 | C | 93 | Very high | 92.6 | Very high | 14 Ų | 14 | 62.8 Ų | 62.8 | 10% | 0.095 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.8 | -53.8 | 175.6 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | I529 T530 I531 G535 V536 S537 W601 | I529-C533 WeakPolarHBondContact O-CB 3.15Å; I529-C533 PolarHBondContact O-N 3.14Å; T530-C533 WeakPolarHBondContact O-CB 3.41Å; T530-C533 PolarHBondContact O-N 3.32Å; I531-C533 VanDerWaalsContact C-N 3.35Å; I531-C533 PolarHBondContact O-N 3.48Å; C533-G535 VanDerWaalsContact C-N 3.32Å; C533-G535 PolarHBondContact O-N 2.96Å; C533-V536 PolarHBondContact O-N 2.72Å; C533-S537 PolarHBondContact O-N 2.93Å; C533-S537 PolarHBondContact O-OG 3.4Å; C533-W601 HydrophobicContact CB-CH2 4.43Å; C533-W601 HydrophobicContact CB-CZ2 4.42Å |
| 534 | C | 93.3 | Very high | 92.4 | Very high | 58 Ų | 58 | 58.8 Ų | 58.8 | 39% | 0.392 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 176 | -66 | 0 | 0 | 0 | 0 | 112.3 | T530 I531 S537 I538 | T530-C534 PolarHBondContact O-N 2.87Å; T530-C534 VanDerWaalsContact O-N 3.15Å; I531-C534 PolarHBondContact O-N 2.93Å; C534-S537 PolarHBondContact O-N 3.4Å; C534-I538 WeakPolarHBondContact O-CG1 3.22Å; C534-I538 PolarHBondContact O-N 3.16Å |
| 535 | G | 93.6 | Very high | 92 | Very high | 32 Ų | 32 | 58.2 Ų | 58.2 | 33% | 0.33 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -60.9 | -45.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | I531 A532 C533 I538 V539 | I531-G535 PolarHBondContact O-N 3.08Å; A532-G535 PolarHBondContact O-N 3.47Å; C533-G535 VanDerWaalsContact C-N 3.32Å; C533-G535 PolarHBondContact O-N 2.96Å; G535-I538 PolarHBondContact O-N 3.42Å; G535-V539 VanDerWaalsContact O-CG2 3.3Å; G535-V539 WeakPolarHBondContact O-CG2 3.34Å; G535-V539 PolarHBondContact O-N 3.38Å |
| 536 | V | 93.5 | Very high | 91.6 | Very high | 31 Ų | 31 | 63.7 Ų | 63.7 | 19% | 0.188 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -67.2 | -37.4 | 176.6 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | A532 C533 I538 V539 L540 W601 | A532-V536 WeakPolarHBondContact O-CB 3.43Å; A532-V536 WeakPolarHBondContact O-CG2 3.47Å; A532-V536 PolarHBondContact O-N 3.43Å; C533-V536 PolarHBondContact O-N 2.72Å; V536-I538 VanDerWaalsContact C-N 3.34Å; V536-I538 PolarHBondContact O-N 3.14Å; V536-V539 PolarHBondContact O-N 3.5Å; V536-L540 HydrophobicContact CG1-CD1 3.99Å; V536-L540 HydrophobicContact CG1-CG 4.17Å; V536-L540 WeakPolarHBondContact O-CB 3.37Å; V536-L540 WeakPolarHBondContact O-CG 3.43Å; V536-L540 PolarHBondContact O-N 2.85Å; V536-W601 HydrophobicContact CB-CD2 4.3Å; V536-W601 HydrophobicContact CB-CE3 4.29Å; V536-W601 HydrophobicContact CG1-CB 4.28Å; V536-W601 HydrophobicContact CG1-CD2 4Å; V536-W601 HydrophobicContact CG1-CE3 4.4Å; V536-W601 HydrophobicContact CG1-CG 3.95Å; V536-W601 HydrophobicContact CG2-CD2 4.02Å; V536-W601 HydrophobicContact CG2-CE3 3.56Å; V536-W601 HydrophobicContact CG2-CH2 4.45Å; V536-W601 HydrophobicContact CG2-CZ3 3.79Å |
| 537 | S | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -61.6 | -42.2 | 174.8 | -50.8 | 0 | 0 | 0 | 0 | 112.2 | C533 C534 Y541 C572 L573 S576 | C533-S537 PolarHBondContact O-N 2.93Å; C533-S537 PolarHBondContact O-OG 3.4Å; C534-S537 PolarHBondContact O-N 3.4Å; S537-Y541 VanDerWaalsContact O-CB 3.31Å; S537-Y541 WeakPolarHBondContact O-CB 3.42Å; S537-Y541 PolarHBondContact O-N 3.14Å; S537-C572 WeakPolarHBondContact O-CB 3.42Å; S537-C572 PolarHBondContact OG-O 2.98Å; S537-L573 VanDerWaalsContact OG-CA 3.28Å; S537-L573 WeakPolarHBondContact OG-CA 3.42Å; S537-S576 PolarHBondContact N-OG 2.92Å; S537-S576 VanDerWaalsContact OG-CB 3.3Å; S537-S576 WeakPolarHBondContact OG-CB 3.34Å; S537-S576 PolarHBondContact OG-OG 3.4Å |
| 538 | I | 92.5 | Very high | 90.4 | Very high | 80 Ų | 80 | 60.7 Ų | 60.7 | 41% | 0.41 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -63.4 | -45.5 | 174.3 | -66.6 | 164.4 | 0 | 0 | 0 | 110.3 | C534 G535 V536 Y541 L542 F569 | C534-I538 WeakPolarHBondContact O-CG1 3.22Å; C534-I538 PolarHBondContact O-N 3.16Å; G535-I538 PolarHBondContact O-N 3.42Å; V536-I538 VanDerWaalsContact C-N 3.34Å; V536-I538 PolarHBondContact O-N 3.14Å; I538-Y541 PolarHBondContact O-N 3.29Å; I538-L542 HydrophobicContact CG2-CD1 3.91Å; I538-L542 HydrophobicContact CG2-CG 4.29Å; I538-L542 WeakPolarHBondContact O-CB 3.43Å; I538-L542 VanDerWaalsContact O-CG 3.28Å; I538-L542 WeakPolarHBondContact O-CG 3.12Å; I538-L542 PolarHBondContact O-N 2.88Å; I538-F569 HydrophobicContact CG1-CE2 3.88Å |
| 539 | V | 91.9 | Very high | 89.7 | Confident | 73 Ų | 73 | 62.8 Ų | 62.8 | 44% | 0.442 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -61.6 | -46.8 | 178.6 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | G535 V536 Y541 L542 I543 | G535-V539 VanDerWaalsContact O-CG2 3.3Å; G535-V539 WeakPolarHBondContact O-CG2 3.34Å; G535-V539 PolarHBondContact O-N 3.38Å; V536-V539 PolarHBondContact O-N 3.5Å; V539-Y541 VanDerWaalsContact C-N 3.33Å; V539-Y541 PolarHBondContact O-N 2.72Å; V539-L542 PolarHBondContact O-N 2.88Å; V539-I543 HydrophobicContact CG1-CD1 3.64Å; V539-I543 HydrophobicContact CG1-CG1 4.29Å; V539-I543 VanDerWaalsContact O-CG1 3.24Å; V539-I543 WeakPolarHBondContact O-CG1 3.46Å; V539-I543 PolarHBondContact O-N 2.98Å |
| 540 | L | 90.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.8 | -41.3 | 176.9 | -73 | 175.8 | 0 | 0 | 0 | 111.7 | V536 I543 S544 C572 V575 A597 | V536-L540 HydrophobicContact CG1-CD1 3.99Å; V536-L540 HydrophobicContact CG1-CG 4.17Å; V536-L540 WeakPolarHBondContact O-CB 3.37Å; V536-L540 WeakPolarHBondContact O-CG 3.43Å; V536-L540 PolarHBondContact O-N 2.85Å; L540-I543 PolarHBondContact O-N 3.17Å; L540-S544 WeakPolarHBondContact O-CB 3.23Å; L540-S544 PolarHBondContact O-N 2.96Å; L540-S544 PolarHBondContact O-OG 3.03Å; L540-C572 HydrophobicContact CB-CB 4.26Å; L540-V575 HydrophobicContact CD1-CG1 4.43Å; L540-A597 HydrophobicContact CD2-CB 4.05Å |
| 541 | Y | 90.3 | Very high | 88.3 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 34% | 0.337 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -63.4 | -43.1 | 175.4 | 174.2 | -101.5 | 0 | 0 | 0 | 112.3 | S537 I538 V539 S544 R545 F569 C572 | S537-Y541 VanDerWaalsContact O-CB 3.31Å; S537-Y541 WeakPolarHBondContact O-CB 3.42Å; S537-Y541 PolarHBondContact O-N 3.14Å; I538-Y541 PolarHBondContact O-N 3.29Å; V539-Y541 VanDerWaalsContact C-N 3.33Å; V539-Y541 PolarHBondContact O-N 2.72Å; Y541-S544 PolarHBondContact O-OG 2.75Å; Y541-R545 WeakPolarHBondContact O-CB 3.22Å; Y541-R545 PolarHBondContact O-N 3.49Å; Y541-F569 HydrophobicContact CD2-CB 4.15Å; Y541-F569 HydrophobicContact CE2-CB 4.44Å; Y541-F569 HydrophobicContact CG-CB 4.49Å; Y541-C572 PolarHBondContact N-SG 3.22Å; Y541-C572 VanDerWaalsContact N-SG 3.44Å |
| 542 | L | 89.6 | Confident | 87.1 | Confident | 76 Ų | 76 | 58.6 Ų | 58.6 | 40% | 0.398 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.8 | -44.9 | 177.3 | -68.6 | 174.5 | 0 | 0 | 0 | 111.1 | I538 V539 S544 R545 F546 | I538-L542 HydrophobicContact CG2-CD1 3.91Å; I538-L542 HydrophobicContact CG2-CG 4.29Å; I538-L542 WeakPolarHBondContact O-CB 3.43Å; I538-L542 VanDerWaalsContact O-CG 3.28Å; I538-L542 WeakPolarHBondContact O-CG 3.12Å; I538-L542 PolarHBondContact O-N 2.88Å; V539-L542 PolarHBondContact O-N 2.88Å; L542-S544 PolarHBondContact O-N 3.19Å; L542-R545 PolarHBondContact O-N 3Å; L542-F546 HydrophobicContact CB-CD2 4.36Å; L542-F546 HydrophobicContact CB-CE2 4.32Å; L542-F546 HydrophobicContact CD2-CE2 4.04Å; L542-F546 WeakPolarHBondContact O-CD2 3.43Å; L542-F546 PolarHBondContact O-N 2.99Å |
| 543 | I | 89.7 | Confident | 85.6 | Confident | 41 Ų | 41 | 64 Ų | 64 | 21% | 0.21 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 176.9 | -63.6 | 167.9 | 0 | 0 | 0 | 109.9 | V539 L540 R545 F546 N547 A593 C594 A597 | V539-I543 HydrophobicContact CG1-CD1 3.64Å; V539-I543 HydrophobicContact CG1-CG1 4.29Å; V539-I543 VanDerWaalsContact O-CG1 3.24Å; V539-I543 WeakPolarHBondContact O-CG1 3.46Å; V539-I543 PolarHBondContact O-N 2.98Å; L540-I543 PolarHBondContact O-N 3.17Å; I543-R545 VanDerWaalsContact C-N 3.32Å; I543-R545 PolarHBondContact O-N 2.97Å; I543-F546 PolarHBondContact O-N 3.16Å; I543-N547 HydrophobicContact CG2-CB 4.39Å; I543-N547 WeakPolarHBondContact O-CA 3.18Å; I543-N547 WeakPolarHBondContact O-CB 3.38Å; I543-N547 PolarHBondContact O-N 3.3Å; I543-A593 HydrophobicContact CG2-CB 3.8Å; I543-C594 WeakPolarHBondContact CG2-SG 3.16Å; I543-A597 HydrophobicContact CD1-CB 4.04Å |
| 544 | S | 85.8 | Confident | 83.9 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.007 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -65.3 | -34.5 | 178.9 | 72.6 | 0 | 0 | 0 | 0 | 112.6 | L540 Y541 L542 W551 F567 | L540-S544 WeakPolarHBondContact O-CB 3.23Å; L540-S544 PolarHBondContact O-N 2.96Å; L540-S544 PolarHBondContact O-OG 3.03Å; Y541-S544 PolarHBondContact O-OG 2.75Å; L542-S544 PolarHBondContact O-N 3.19Å; S544-W551 PolarHBondContact O-NE1 2.77Å; S544-F567 VanDerWaalsContact CB-CB 3.46Å; S544-F567 WeakPolarHBondContact OG-CB 3.46Å; S544-F567 PolarHBondContact OG-O 3.32Å |
| 545 | R | 84.5 | Confident | 81.9 | Confident | 126 Ų | 126 | 73 Ų | 73 | 48% | 0.475 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -69.4 | -40.9 | 178.6 | -174.2 | 69.7 | -173.5 | 93.2 | -10.6 | 112.4 | Y541 L542 I543 W551 | Y541-R545 WeakPolarHBondContact O-CB 3.22Å; Y541-R545 PolarHBondContact O-N 3.49Å; L542-R545 PolarHBondContact O-N 3Å; I543-R545 VanDerWaalsContact C-N 3.32Å; I543-R545 PolarHBondContact O-N 2.97Å; R545-W551 PolarHBondContact O-NE1 2.75Å |
| 546 | F | 84.5 | Confident | 79.8 | Confident | 164 Ų | 164 | 81.9 Ų | 81.9 | 72% | 0.719 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -88.9 | -27.8 | -177.3 | -68.6 | -59.2 | 0 | 0 | 0 | 113.7 | L542 I543 P548 | L542-F546 HydrophobicContact CB-CD2 4.36Å; L542-F546 HydrophobicContact CB-CE2 4.32Å; L542-F546 HydrophobicContact CD2-CE2 4.04Å; L542-F546 WeakPolarHBondContact O-CD2 3.43Å; L542-F546 PolarHBondContact O-N 2.99Å; I543-F546 PolarHBondContact O-N 3.16Å; F546-P548 WeakPolarHBondContact O-CD 3.42Å |
| 547 | N | 83.3 | Confident | 77.7 | Confident | 32 Ų | 32 | 82.9 Ų | 82.9 | 17% | 0.171 | 38% | 0.382 | C | S | . | . | trans | -84.6 | 113.2 | -175.4 | -162.2 | -37.2 | 0 | 0 | 0 | 110.8 | I543 Y549 E550 S591 | I543-N547 HydrophobicContact CG2-CB 4.39Å; I543-N547 WeakPolarHBondContact O-CA 3.18Å; I543-N547 WeakPolarHBondContact O-CB 3.38Å; I543-N547 PolarHBondContact O-N 3.3Å; N547-Y549 PolarHBondContact O-N 3.33Å; N547-Y549 VanDerWaalsContact O-N 3.17Å; N547-Y549 VanDerWaalsContact OD1-CD2 3.26Å; N547-Y549 WeakPolarHBondContact OD1-CD2 3.29Å; N547-Y549 PolarHBondContact OD1-N 3.38Å; N547-E550 PolarHBondContact O-N 3.09Å; N547-E550 VanDerWaalsContact O-N 3.15Å; N547-S591 WeakPolarHBondContact ND2-CB 3.22Å | ||
| 548 | P | 79.4 | Confident | 76.1 | Confident | 95 Ų | 95 | 87.7 Ų | 87.7 | 62% | 0.617 | 42% | 0.422 | S | S | * | . | G | 310 helix | trans | -64.3 | -24 | -175.3 | 26.7 | -35.2 | 0 | 0 | 0 | 113 | F546 E550 W551 | F546-P548 WeakPolarHBondContact O-CD 3.42Å; P548-E550 PolarHBondContact O-N 3.23Å; P548-W551 PolarHBondContact O-N 3.31Å |
| 549 | Y | 81.4 | Confident | 74.3 | Confident | 183 Ų | 183 | 94.8 Ų | 94.8 | 72% | 0.718 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -71.1 | -16.2 | 179.4 | -62.3 | -67.1 | 0 | 0 | 0 | 113.8 | N547 | N547-Y549 PolarHBondContact O-N 3.33Å; N547-Y549 VanDerWaalsContact O-N 3.17Å; N547-Y549 VanDerWaalsContact OD1-CD2 3.26Å; N547-Y549 WeakPolarHBondContact OD1-CD2 3.29Å; N547-Y549 PolarHBondContact OD1-N 3.38Å |
| 550 | E | 79.3 | Confident | 72.3 | Confident | 3 Ų | 3 | 93.1 Ų | 93.1 | 1% | 0.014 | 44% | 0.443 | C | S | . | . | G | 310 helix | trans | -84.6 | -17.6 | 177 | -147.9 | 62.3 | -136.6 | 0 | 0 | 112.3 | N547 P548 S552 F567 P589 R590 S591 | N547-E550 PolarHBondContact O-N 3.09Å; N547-E550 VanDerWaalsContact O-N 3.15Å; P548-E550 PolarHBondContact O-N 3.23Å; E550-S552 PolarHBondContact O-N 3.43Å; E550-F567 HydrophobicContact CG-CD2 4.01Å; E550-F567 WeakPolarHBondContact OE1-CE2 3.34Å; E550-P589 WeakPolarHBondContact OE1-CA 3.47Å; E550-R590 PolarHBondContact OE1-N 2.9Å; E550-R590 PolarHBondContact OE2-N 3.21Å; E550-S591 WeakPolarHBondContact OE2-CB 3.27Å; E550-S591 PolarHBondContact OE2-N 3.22Å; E550-S591 PolarHBondContact OE2-OG 3.5Å |
| 551 | W | 77.1 | Confident | 70.4 | Confident | 89 Ų | 89 | 97.1 Ų | 97.1 | 34% | 0.337 | 47% | 0.468 | S | S | . | . | trans | -81.3 | 115.6 | -179.9 | -73.4 | 62.3 | 0 | 0 | 0 | 109.7 | S544 R545 P548 | S544-W551 PolarHBondContact O-NE1 2.77Å; R545-W551 PolarHBondContact O-NE1 2.75Å; P548-W551 PolarHBondContact O-N 3.31Å | ||
| 552 | S | 68.5 | Low | 68.7 | Low | 16 Ų | 16 | 97.8 Ų | 97.8 | 11% | 0.112 | 48% | 0.477 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 141.5 | 176.6 | 85.5 | 0 | 0 | 0 | 0 | 111.9 | E550 G554 S563 L564 R590 | E550-S552 PolarHBondContact O-N 3.43Å; S552-G554 PolarHBondContact O-N 2.9Å; S552-S563 VanDerWaalsContact O-CA 3.32Å; S552-S563 WeakPolarHBondContact O-CA 3.5Å; S552-L564 PolarHBondContact O-N 3.24Å; S552-L564 PolarHBondContact OG-O 3.21Å; S552-R590 VanDerWaalsContact CB-NH2 3.33Å; S552-R590 PolarHBondContact OG-NH2 3.43Å |
| 553 | I | 63.2 | Low | 67.1 | Low | 143 Ų | 143 | 97.1 Ų | 97.1 | 73% | 0.733 | 48% | 0.478 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 107.7 | 167 | -66.7 | 165.5 | 0 | 0 | 0 | 106 | V561 | I553-V561 HydrophobicContact CB-CG1 4.49Å; I553-V561 HydrophobicContact CG2-CG1 3.66Å |
| 554 | G | 58 | Low | 66 | Low | 18 Ų | 18 | 100 Ų | 100 | 19% | 0.186 | 49% | 0.494 | C | S | . | . | trans | -64 | 170.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | S552 N562 | S552-G554 PolarHBondContact O-N 2.9Å; G554-N562 WeakPolarHBondContact CA-O 3.43Å; G554-N562 PolarHBondContact N-O 3.08Å; G554-N562 VanDerWaalsContact N-O 3.1Å | ||
| 555 | R | 49.4 | Very low | 65.2 | Low | 242 Ų | 242 | 101.3 Ų | 101.3 | 91% | 0.913 | 50% | 0.503 | S | S | * | . | trans | -56.6 | 141.9 | 177.3 | -63.5 | -176.5 | -150 | -177.8 | 6.8 | 110.5 | S557 | R555-S557 PolarHBondContact O-N 2.92Š| ||
| 556 | Y | 49.8 | Very low | 64.9 | Low | 219 Ų | 219 | 98.4 Ų | 98.4 | 86% | 0.859 | 50% | 0.497 | S | S | * | . | trans | -49.5 | 110.2 | 169.6 | -100.5 | -97.5 | 0 | 0 | 0 | 109.7 | ||||
| 557 | S | 51.2 | Low | 64.7 | Low | 52 Ų | 52 | 90.8 Ų | 90.8 | 36% | 0.364 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -94.4 | 156.5 | 161.9 | 81.5 | 0 | 0 | 0 | 0 | 108.3 | R555 Y559 G560 | R555-S557 PolarHBondContact O-N 2.92Å; S557-Y559 PolarHBondContact O-N 3.14Å; S557-Y559 PolarHBondContact OG-N 3.5Å; S557-G560 PolarHBondContact O-N 2.79Å; S557-G560 PolarHBondContact OG-O 3.41Å |
| 558 | A | 58.5 | Low | 64.8 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 84% | 0.843 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -8.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 559 | Y | 54.1 | Low | 65 | Low | 229 Ų | 229 | 92 Ų | 92 | 90% | 0.898 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -124 | 29.8 | -176.6 | -75.8 | -81.2 | 0 | 0 | 0 | 114.3 | S557 | S557-Y559 PolarHBondContact O-N 3.14Å; S557-Y559 PolarHBondContact OG-N 3.5Å |
| 560 | G | 50.3 | Low | 65.3 | Low | 38 Ų | 38 | 88.8 Ų | 88.8 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | B | Isolated β-bridge | trans | 103.7 | 175.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 115 | S557 N562 | S557-G560 PolarHBondContact O-N 2.79Å; S557-G560 PolarHBondContact OG-O 3.41Å; G560-N562 PolarHBondContact O-N 2.89Å |
| 561 | V | 49.8 | Very low | 65.7 | Low | 85 Ų | 85 | 91.3 Ų | 91.3 | 52% | 0.515 | 47% | 0.472 | S | S | . | . | trans | -81.7 | 102.7 | -173.1 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | I553 S563 | I553-V561 HydrophobicContact CB-CG1 4.49Å; I553-V561 HydrophobicContact CG2-CG1 3.66Å; V561-S563 PolarHBondContact O-N 2.85Å | ||
| 562 | N | 54.7 | Low | 66.4 | Low | 99 Ų | 99 | 87 Ų | 87 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | trans | -81.7 | 108.2 | 166 | -71.9 | -18.3 | 0 | 0 | 0 | 108.1 | G554 G560 L564 | G554-N562 WeakPolarHBondContact CA-O 3.43Å; G554-N562 PolarHBondContact N-O 3.08Å; G554-N562 VanDerWaalsContact N-O 3.1Å; G560-N562 PolarHBondContact O-N 2.89Å; N562-L564 HydrophobicContact CB-CG 4.24Å; N562-L564 PolarHBondContact O-N 2.77Å | ||
| 563 | S | 56 | Low | 67.5 | Low | 62 Ų | 62 | 89.3 Ų | 89.3 | 43% | 0.434 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | 115.3 | 163 | 52.8 | 0 | 0 | 0 | 0 | 107.8 | S552 V561 | S552-S563 VanDerWaalsContact O-CA 3.32Å; S552-S563 WeakPolarHBondContact O-CA 3.5Å; V561-S563 PolarHBondContact O-N 2.85Å |
| 564 | L | 66.6 | Low | 68.8 | Low | 102 Ų | 102 | 90.2 Ų | 90.2 | 53% | 0.534 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 122.2 | 179.5 | -67.8 | 168 | 0 | 0 | 0 | 107.1 | S552 N562 | S552-L564 PolarHBondContact O-N 3.24Å; S552-L564 PolarHBondContact OG-O 3.21Å; N562-L564 HydrophobicContact CB-CG 4.24Å; N562-L564 PolarHBondContact O-N 2.77Å |
| 565 | S | 70.7 | Confident | 70.3 | Confident | 28 Ų | 28 | 89.7 Ų | 89.7 | 20% | 0.196 | 45% | 0.454 | C | S | . | . | trans | -85.9 | 120.7 | 164.7 | -176.5 | 0 | 0 | 0 | 0 | 107.5 | F567 | S565-F567 PolarHBondContact O-N 3Š| ||
| 566 | D | 76.2 | Confident | 72.3 | Confident | 66 Ų | 66 | 78.2 Ų | 78.2 | 35% | 0.353 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -68.5 | -17 | 177.2 | -59.7 | -38.7 | 0 | 0 | 0 | 111.3 | T568 N571 I587 R590 | D566-T568 PolarHBondContact O-N 2.78Å; D566-N571 WeakPolarHBondContact O-CB 3.38Å; D566-N571 PolarHBondContact O-ND2 3.49Å; D566-I587 HydrophobicContact CB-CG2 4.18Å; D566-R590 IonicContact OD2-NH2 3.13Å; D566-R590 PolarHBondContact OD2-NH2 2.87Å; D566-R590 VanDerWaalsContact OD2-NH2 3.13Å |
| 567 | F | 81.5 | Confident | 74.3 | Confident | 4 Ų | 4 | 71.3 Ų | 71.3 | 2% | 0.018 | 39% | 0.388 | C | S | . | . | trans | -95.4 | 66.9 | 178 | -78.2 | -91.2 | 0 | 0 | 0 | 112 | S544 E550 S565 V575 I587 P589 | S544-F567 VanDerWaalsContact CB-CB 3.46Å; S544-F567 WeakPolarHBondContact OG-CB 3.46Å; S544-F567 PolarHBondContact OG-O 3.32Å; E550-F567 HydrophobicContact CG-CD2 4.01Å; E550-F567 WeakPolarHBondContact OE1-CE2 3.34Å; S565-F567 PolarHBondContact O-N 3Å; F567-V575 HydrophobicContact CE1-CG2 4.45Å; F567-I587 HydrophobicContact CD1-CG2 4.44Å; F567-I587 HydrophobicContact CD2-CG2 4.11Å; F567-I587 HydrophobicContact CE1-CG2 4.2Å; F567-I587 HydrophobicContact CE2-CG2 3.83Å; F567-I587 HydrophobicContact CG-CG2 4.4Å; F567-I587 HydrophobicContact CZ-CG2 3.88Å; F567-P589 HydrophobicContact CE2-CB 4.27Å; F567-P589 HydrophobicContact CZ-CB 3.98Å | ||
| 568 | T | 84.6 | Confident | 76.2 | Confident | 62 Ų | 62 | 69.2 Ų | 69.2 | 38% | 0.38 | 37% | 0.374 | S | S | . | . | trans | -67.3 | 162.4 | 162.7 | 62.5 | 0 | 0 | 0 | 0 | 110.5 | D566 D570 N571 C572 | D566-T568 PolarHBondContact O-N 2.78Å; T568-D570 VanDerWaalsContact C-N 3.27Å; T568-D570 PolarHBondContact O-N 3.5Å; T568-N571 PolarHBondContact O-N 2.89Å; T568-N571 VanDerWaalsContact O-N 3.13Å; T568-N571 VanDerWaalsContact OG1-CB 3.3Å; T568-N571 WeakPolarHBondContact OG1-CB 3.38Å; T568-N571 PolarHBondContact OG1-N 2.79Å; T568-N571 PolarHBondContact OG1-ND2 3.17Å; T568-C572 PolarHBondContact O-N 2.95Å; T568-C572 PolarHBondContact O-SG 3.22Å | ||
| 569 | F | 84.9 | Confident | 77.8 | Confident | 91 Ų | 91 | 64.8 Ų | 64.8 | 40% | 0.399 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -55 | -44.1 | 177.8 | 178.4 | -98.4 | 0 | 0 | 0 | 112.2 | I538 Y541 N571 C572 L573 | I538-F569 HydrophobicContact CG1-CE2 3.88Å; Y541-F569 HydrophobicContact CD2-CB 4.15Å; Y541-F569 HydrophobicContact CE2-CB 4.44Å; Y541-F569 HydrophobicContact CG-CB 4.49Å; F569-N571 VanDerWaalsContact C-N 3.35Å; F569-N571 PolarHBondContact O-N 2.82Å; F569-C572 WeakPolarHBondContact O-CB 3.4Å; F569-C572 PolarHBondContact O-N 3.47Å; F569-L573 PolarHBondContact O-N 3.39Å |
| 570 | D | 86.9 | Confident | 79.6 | Confident | 115 Ų | 115 | 55.8 Ų | 55.8 | 62% | 0.615 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -64.4 | -39.8 | 178 | -56 | -36.4 | 0 | 0 | 0 | 111.9 | T568 L573 W574 | T568-D570 VanDerWaalsContact C-N 3.27Å; T568-D570 PolarHBondContact O-N 3.5Å; D570-L573 PolarHBondContact O-N 3.41Å; D570-W574 WeakPolarHBondContact O-CB 3.34Å; D570-W574 PolarHBondContact O-N 3.37Å |
| 571 | N | 88.8 | Confident | 81.5 | Confident | 55 Ų | 55 | 59.6 Ų | 59.6 | 29% | 0.294 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -68.1 | -37.3 | 175.6 | -75.8 | -7.1 | 0 | 0 | 0 | 111.8 | D566 T568 F569 L573 W574 V575 I587 | D566-N571 WeakPolarHBondContact O-CB 3.38Å; D566-N571 PolarHBondContact O-ND2 3.49Å; T568-N571 PolarHBondContact O-N 2.89Å; T568-N571 VanDerWaalsContact O-N 3.13Å; T568-N571 VanDerWaalsContact OG1-CB 3.3Å; T568-N571 WeakPolarHBondContact OG1-CB 3.38Å; T568-N571 PolarHBondContact OG1-N 2.79Å; T568-N571 PolarHBondContact OG1-ND2 3.17Å; F569-N571 VanDerWaalsContact C-N 3.35Å; F569-N571 PolarHBondContact O-N 2.82Å; N571-L573 VanDerWaalsContact C-N 3.32Å; N571-W574 PolarHBondContact O-N 2.87Å; N571-V575 WeakPolarHBondContact O-CB 3.13Å; N571-V575 VanDerWaalsContact O-CG2 3.22Å; N571-V575 WeakPolarHBondContact O-CG2 3.36Å; N571-V575 PolarHBondContact O-N 3.45Å; N571-I587 HydrophobicContact CB-CD1 3.55Å; N571-I587 VanDerWaalsContact CG-CD1 3.47Å |
| 572 | C | 90.6 | Very high | 83.4 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -62.4 | -41.7 | 173 | -68.1 | 0 | 0 | 0 | 0 | 111.1 | S537 L540 Y541 T568 F569 V575 S576 | S537-C572 WeakPolarHBondContact O-CB 3.42Å; S537-C572 PolarHBondContact OG-O 2.98Å; L540-C572 HydrophobicContact CB-CB 4.26Å; Y541-C572 PolarHBondContact N-SG 3.22Å; Y541-C572 VanDerWaalsContact N-SG 3.44Å; T568-C572 PolarHBondContact O-N 2.95Å; T568-C572 PolarHBondContact O-SG 3.22Å; F569-C572 WeakPolarHBondContact O-CB 3.4Å; F569-C572 PolarHBondContact O-N 3.47Å; C572-V575 PolarHBondContact O-N 3.45Å; C572-S576 WeakPolarHBondContact O-CB 3.4Å; C572-S576 PolarHBondContact O-N 3.16Å; C572-S576 PolarHBondContact O-OG 2.88Å |
| 573 | L | 91 | Very high | 85 | Confident | 64 Ų | 64 | 63 Ų | 63 | 34% | 0.335 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 174.4 | -171.2 | 68 | 0 | 0 | 0 | 111.4 | S537 F569 D570 N571 S576 L577 | S537-L573 VanDerWaalsContact OG-CA 3.28Å; S537-L573 WeakPolarHBondContact OG-CA 3.42Å; F569-L573 PolarHBondContact O-N 3.39Å; D570-L573 PolarHBondContact O-N 3.41Å; N571-L573 VanDerWaalsContact C-N 3.32Å; L573-S576 PolarHBondContact O-N 3.24Å; L573-L577 VanDerWaalsContact O-CB 3.27Å; L573-L577 WeakPolarHBondContact O-CB 3.13Å; L573-L577 PolarHBondContact O-N 3.46Å |
| 574 | W | 90.5 | Very high | 86.4 | Confident | 162 Ų | 162 | 63.8 Ų | 63.8 | 61% | 0.614 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61 | -44.5 | 175.7 | -171.8 | -111.3 | 0 | 0 | 0 | 112.3 | D570 N571 L577 A578 | D570-W574 WeakPolarHBondContact O-CB 3.34Å; D570-W574 PolarHBondContact O-N 3.37Å; N571-W574 PolarHBondContact O-N 2.87Å; W574-L577 PolarHBondContact O-N 3.37Å; W574-A578 WeakPolarHBondContact O-CB 3.5Å; W574-A578 PolarHBondContact O-N 2.86Å |
| 575 | V | 90.1 | Very high | 87.4 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 176.5 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L540 F567 N571 C572 L577 A578 A579 T585 I587 | L540-V575 HydrophobicContact CD1-CG1 4.43Å; F567-V575 HydrophobicContact CE1-CG2 4.45Å; N571-V575 WeakPolarHBondContact O-CB 3.13Å; N571-V575 VanDerWaalsContact O-CG2 3.22Å; N571-V575 WeakPolarHBondContact O-CG2 3.36Å; N571-V575 PolarHBondContact O-N 3.45Å; C572-V575 PolarHBondContact O-N 3.45Å; V575-L577 VanDerWaalsContact C-N 3.35Å; V575-L577 PolarHBondContact O-N 3.24Å; V575-A578 PolarHBondContact O-N 3.35Å; V575-A579 PolarHBondContact O-N 3.33Å; V575-A579 VanDerWaalsContact O-N 3.15Å; V575-T585 HydrophobicContact CG2-CG2 4.2Å; V575-I587 HydrophobicContact CG2-CB 3.99Å; V575-I587 HydrophobicContact CG2-CD1 4.34Å; V575-I587 HydrophobicContact CG2-CG2 4.26Å |
| 576 | S | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -62 | -42.8 | 178 | -62.9 | 0 | 0 | 0 | 0 | 111.6 | S537 C572 L573 W601 | S537-S576 PolarHBondContact N-OG 2.92Å; S537-S576 VanDerWaalsContact OG-CB 3.3Å; S537-S576 WeakPolarHBondContact OG-CB 3.34Å; S537-S576 PolarHBondContact OG-OG 3.4Å; C572-S576 WeakPolarHBondContact O-CB 3.4Å; C572-S576 PolarHBondContact O-N 3.16Å; C572-S576 PolarHBondContact O-OG 2.88Å; L573-S576 PolarHBondContact O-N 3.24Å; S576-W601 PolarHBondContact O-NE1 3.09Å; S576-W601 VanDerWaalsContact O-NE1 3.08Å |
| 577 | L | 92 | Very high | 88.2 | Confident | 75 Ų | 75 | 65.4 Ų | 65.4 | 39% | 0.393 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -68.8 | -44.1 | 177.5 | -177.7 | 63 | 0 | 0 | 0 | 112.3 | L573 W574 V575 A579 V580 M581 | L573-L577 VanDerWaalsContact O-CB 3.27Å; L573-L577 WeakPolarHBondContact O-CB 3.13Å; L573-L577 PolarHBondContact O-N 3.46Å; W574-L577 PolarHBondContact O-N 3.37Å; V575-L577 VanDerWaalsContact C-N 3.35Å; V575-L577 PolarHBondContact O-N 3.24Å; L577-A579 VanDerWaalsContact C-N 3.27Å; L577-A579 PolarHBondContact O-N 3.41Å; L577-V580 WeakPolarHBondContact O-CB 3.11Å; L577-V580 PolarHBondContact O-N 3.22Å; L577-V580 VanDerWaalsContact O-N 3.11Å; L577-M581 HydrophobicContact CG-SD 4.29Å; L577-M581 WeakPolarHBondContact O-CG 3.39Å; L577-M581 PolarHBondContact O-N 2.74Å |
| 578 | A | 91.8 | Very high | 88.2 | Confident | 8 Ų | 8 | 72 Ų | 72 | 7% | 0.066 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.3 | -40 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W574 V575 V580 M581 Q582 Q583 T585 | W574-A578 WeakPolarHBondContact O-CB 3.5Å; W574-A578 PolarHBondContact O-N 2.86Å; V575-A578 PolarHBondContact O-N 3.35Å; A578-V580 PolarHBondContact O-N 2.97Å; A578-M581 CarbonylContact O-C 3.33Å; A578-M581 WeakPolarHBondContact O-CA 3.48Å; A578-M581 PolarHBondContact O-N 3.26Å; A578-M581 VanDerWaalsContact O-N 3.12Å; A578-Q582 PolarHBondContact O-N 2.85Å; A578-Q582 VanDerWaalsContact O-N 3.08Å; A578-Q583 CarbonylContact C-O 3.53Å; A578-Q583 HydrophobicContact CB-CB 4.34Å; A578-Q583 PolarHBondContact O-N 2.88Å; A578-T585 HydrophobicContact CB-CG2 3.43Å; A578-T585 VanDerWaalsContact CB-CG2 3.43Å |
| 579 | A | 91.7 | Very high | 88.2 | Confident | 8 Ų | 8 | 70.2 Ų | 70.2 | 7% | 0.066 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -61.4 | -42 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113 | V575 L577 M581 Q582 T605 | V575-A579 PolarHBondContact O-N 3.33Å; V575-A579 VanDerWaalsContact O-N 3.15Å; L577-A579 VanDerWaalsContact C-N 3.27Å; L577-A579 PolarHBondContact O-N 3.41Å; A579-M581 VanDerWaalsContact C-N 3.25Å; A579-M581 PolarHBondContact O-N 3.29Å; A579-Q582 PolarHBondContact O-N 3.44Å; A579-Q582 VanDerWaalsContact O-N 3.1Å; A579-T605 HydrophobicContact CB-CG2 4.41Å |
| 580 | V | 91.5 | Very high | 88.1 | Confident | 40 Ų | 40 | 71.5 Ų | 71.5 | 24% | 0.242 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -62.6 | -36.6 | 174.3 | 178.8 | 0 | 0 | 0 | 0 | 110.8 | L577 A578 Q582 W601 T605 V609 | L577-V580 WeakPolarHBondContact O-CB 3.11Å; L577-V580 PolarHBondContact O-N 3.22Å; L577-V580 VanDerWaalsContact O-N 3.11Å; A578-V580 PolarHBondContact O-N 2.97Å; V580-Q582 PolarHBondContact O-N 2.83Å; V580-W601 HydrophobicContact CG2-CH2 4.36Å; V580-W601 HydrophobicContact CG2-CZ2 3.64Å; V580-T605 HydrophobicContact CB-CG2 4.42Å; V580-T605 HydrophobicContact CG2-CG2 3.7Å; V580-V609 WeakPolarHBondContact O-CG2 3.1Å |
| 581 | M | 90.8 | Very high | 88.1 | Confident | 119 Ų | 119 | 66.1 Ų | 66.1 | 59% | 0.586 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 4.5 | 176.6 | -62.7 | -174 | 72.1 | 0 | 0 | 114.1 | L577 A578 A579 Q583 | L577-M581 HydrophobicContact CG-SD 4.29Å; L577-M581 WeakPolarHBondContact O-CG 3.39Å; L577-M581 PolarHBondContact O-N 2.74Å; A578-M581 CarbonylContact O-C 3.33Å; A578-M581 WeakPolarHBondContact O-CA 3.48Å; A578-M581 PolarHBondContact O-N 3.26Å; A578-M581 VanDerWaalsContact O-N 3.12Å; A579-M581 VanDerWaalsContact C-N 3.25Å; A579-M581 PolarHBondContact O-N 3.29Å; M581-Q583 HydrophobicContact CB-CG 4.02Å; M581-Q583 PolarHBondContact O-N 2.96Å; M581-Q583 PolarHBondContact O-NE2 3.26Å |
| 582 | Q | 88.9 | Confident | 88.1 | Confident | 128 Ų | 128 | 68.6 Ų | 68.6 | 60% | 0.598 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54 | 31.5 | -174.1 | -58.2 | -175.4 | -21.8 | 0 | 0 | 113.5 | A578 A579 V580 V609 | A578-Q582 PolarHBondContact O-N 2.85Å; A578-Q582 VanDerWaalsContact O-N 3.08Å; A579-Q582 PolarHBondContact O-N 3.44Å; A579-Q582 VanDerWaalsContact O-N 3.1Å; V580-Q582 PolarHBondContact O-N 2.83Å; Q582-V609 HydrophobicContact CG-CG1 4.38Å |
| 583 | Q | 88.8 | Confident | 88.1 | Confident | 128 Ų | 128 | 70.5 Ų | 70.5 | 60% | 0.598 | 38% | 0.376 | S | S | * | . | trans | -103.2 | 143.8 | 177 | -60.3 | -54.6 | -45.1 | 0 | 0 | 111.2 | A578 M581 | A578-Q583 CarbonylContact C-O 3.53Å; A578-Q583 HydrophobicContact CB-CB 4.34Å; A578-Q583 PolarHBondContact O-N 2.88Å; M581-Q583 HydrophobicContact CB-CG 4.02Å; M581-Q583 PolarHBondContact O-N 2.96Å; M581-Q583 PolarHBondContact O-NE2 3.26Å | ||
| 584 | G | 86.1 | Confident | 88 | Confident | 77 Ų | 77 | 67.5 Ų | 67.5 | 79% | 0.794 | 36% | 0.36 | S | S | * | . | trans | -79.7 | 152.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 585 | T | 86.6 | Confident | 88 | Confident | 32 Ų | 32 | 66.5 Ų | 66.5 | 20% | 0.196 | 36% | 0.356 | C | S | . | . | trans | -120.2 | 150.9 | 171.8 | 58 | 0 | 0 | 0 | 0 | 110.5 | V575 A578 I587 | V575-T585 HydrophobicContact CG2-CG2 4.2Å; A578-T585 HydrophobicContact CB-CG2 3.43Å; A578-T585 VanDerWaalsContact CB-CG2 3.43Å; T585-I587 PolarHBondContact O-N 3.23Å; T585-I587 PolarHBondContact OG1-O 2.97Å | ||
| 586 | D | 81.9 | Confident | 88.2 | Confident | 169 Ų | 169 | 70.7 Ų | 70.7 | 90% | 0.904 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -70.5 | -9.3 | 173.6 | -62.3 | -29.6 | 0 | 0 | 0 | 113.1 | ||
| 587 | I | 81.5 | Confident | 88.2 | Confident | 30 Ų | 30 | 71.8 Ų | 71.8 | 15% | 0.154 | 39% | 0.386 | C | S | . | . | trans | -88.5 | 109.5 | -179.5 | -50.1 | -179.7 | 0 | 0 | 0 | 108.6 | D566 F567 N571 V575 T585 | D566-I587 HydrophobicContact CB-CG2 4.18Å; F567-I587 HydrophobicContact CD1-CG2 4.44Å; F567-I587 HydrophobicContact CD2-CG2 4.11Å; F567-I587 HydrophobicContact CE1-CG2 4.2Å; F567-I587 HydrophobicContact CE2-CG2 3.83Å; F567-I587 HydrophobicContact CG-CG2 4.4Å; F567-I587 HydrophobicContact CZ-CG2 3.88Å; N571-I587 HydrophobicContact CB-CD1 3.55Å; N571-I587 VanDerWaalsContact CG-CD1 3.47Å; V575-I587 HydrophobicContact CG2-CB 3.99Å; V575-I587 HydrophobicContact CG2-CD1 4.34Å; V575-I587 HydrophobicContact CG2-CG2 4.26Å; T585-I587 PolarHBondContact O-N 3.23Å; T585-I587 PolarHBondContact OG1-O 2.97Å | ||
| 588 | M | 81.8 | Confident | 88.1 | Confident | 143 Ų | 143 | 68.6 Ų | 68.6 | 70% | 0.704 | 37% | 0.369 | S | S | * | . | trans | -111.7 | 130.3 | -174.8 | -62.5 | -168.3 | 158.3 | 0 | 0 | 111.9 | R590 | M588-R590 PolarHBondContact O-N 3.43Š| ||
| 589 | P | 85.3 | Confident | 88.1 | Confident | 23 Ų | 23 | 71.3 Ų | 71.3 | 15% | 0.149 | 39% | 0.388 | C | S | . | . | trans | -69.4 | 127.4 | 177 | 28 | -33.7 | 0 | 0 | 0 | 112.2 | E550 F567 C594 R595 N598 | E550-P589 WeakPolarHBondContact OE1-CA 3.47Å; F567-P589 HydrophobicContact CE2-CB 4.27Å; F567-P589 HydrophobicContact CZ-CB 3.98Å; P589-C594 HydrophobicContact CB-CB 3.47Å; P589-C594 VanDerWaalsContact CB-CB 3.47Å; P589-R595 HydrophobicContact CB-CG 4.12Å; P589-R595 HydrophobicContact CG-CG 3.95Å; P589-R595 PolarHBondContact O-NE 3.09Å; P589-N598 HydrophobicContact CG-CB 4.48Å | ||
| 590 | R | 81.6 | Confident | 88.2 | Confident | 119 Ų | 119 | 76.3 Ų | 76.3 | 45% | 0.449 | 41% | 0.412 | S | S | . | . | trans | -88 | -43.9 | 179.5 | -58.9 | -176.5 | -169.5 | -155.9 | 9.8 | 111.7 | E550 S552 D566 M588 | E550-R590 PolarHBondContact OE1-N 2.9Å; E550-R590 PolarHBondContact OE2-N 3.21Å; S552-R590 VanDerWaalsContact CB-NH2 3.33Å; S552-R590 PolarHBondContact OG-NH2 3.43Å; D566-R590 IonicContact OD2-NH2 3.13Å; D566-R590 PolarHBondContact OD2-NH2 2.87Å; D566-R590 VanDerWaalsContact OD2-NH2 3.13Å; M588-R590 PolarHBondContact O-N 3.43Å | ||
| 591 | S | 87.6 | Confident | 88.4 | Confident | 2 Ų | 2 | 75 Ų | 75 | 1% | 0.014 | 40% | 0.403 | C | S | . | . | S | Bend | trans | -74.2 | 146.4 | -178.2 | 66.3 | 0 | 0 | 0 | 0 | 112.5 | N547 E550 A593 C594 R595 | N547-S591 WeakPolarHBondContact ND2-CB 3.22Å; E550-S591 WeakPolarHBondContact OE2-CB 3.27Å; E550-S591 PolarHBondContact OE2-N 3.22Å; E550-S591 PolarHBondContact OE2-OG 3.5Å; S591-A593 PolarHBondContact O-N 2.82Å; S591-C594 PolarHBondContact O-N 2.9Å; S591-C594 WeakPolarHBondContact OG-CB 3.1Å; S591-C594 PolarHBondContact OG-N 2.77Å; S591-C594 PolarHBondContact OG-SG 2.91Å; S591-C594 VanDerWaalsContact OG-SG 3.42Å; S591-R595 WeakPolarHBondContact O-CG 3.08Å; S591-R595 PolarHBondContact O-N 2.87Å |
| 592 | V | 89 | Confident | 88.5 | Confident | 106 Ų | 106 | 76.2 Ų | 76.2 | 64% | 0.642 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -60.1 | -37.1 | 175.4 | 178 | 0 | 0 | 0 | 0 | 111.1 | R595 I596 | V592-R595 PolarHBondContact O-N 3.41Å; V592-I596 HydrophobicContact CG1-CD1 3.9Å; V592-I596 HydrophobicContact CG1-CG1 4.35Å; V592-I596 WeakPolarHBondContact O-CG1 3.48Å; V592-I596 PolarHBondContact O-N 2.89Å |
| 593 | A | 90.6 | Very high | 88.7 | Confident | 41 Ų | 41 | 76.5 Ų | 76.5 | 34% | 0.339 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I543 S591 R595 I596 A597 | I543-A593 HydrophobicContact CG2-CB 3.8Å; S591-A593 PolarHBondContact O-N 2.82Å; A593-R595 VanDerWaalsContact C-N 3.31Å; A593-R595 PolarHBondContact O-N 3.49Å; A593-I596 PolarHBondContact O-N 3.28Å; A593-A597 PolarHBondContact O-N 2.88Å |
| 594 | C | 88.8 | Confident | 89 | Confident | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 174.7 | -76.4 | 0 | 0 | 0 | 0 | 111.8 | I543 P589 S591 A597 N598 | I543-C594 WeakPolarHBondContact CG2-SG 3.16Å; P589-C594 HydrophobicContact CB-CB 3.47Å; P589-C594 VanDerWaalsContact CB-CB 3.47Å; S591-C594 PolarHBondContact O-N 2.9Å; S591-C594 WeakPolarHBondContact OG-CB 3.1Å; S591-C594 PolarHBondContact OG-N 2.77Å; S591-C594 PolarHBondContact OG-SG 2.91Å; S591-C594 VanDerWaalsContact OG-SG 3.42Å; C594-A597 PolarHBondContact O-N 2.76Å; C594-N598 WeakPolarHBondContact O-CB 3.47Å; C594-N598 PolarHBondContact O-N 3.37Å |
| 595 | R | 91.6 | Very high | 89.4 | Confident | 141 Ų | 141 | 70.9 Ų | 70.9 | 53% | 0.532 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 176.1 | -71.9 | 174 | -177.3 | -166.3 | 2.5 | 112.5 | P589 S591 V592 A593 S599 | P589-R595 HydrophobicContact CB-CG 4.12Å; P589-R595 HydrophobicContact CG-CG 3.95Å; P589-R595 PolarHBondContact O-NE 3.09Å; S591-R595 WeakPolarHBondContact O-CG 3.08Å; S591-R595 PolarHBondContact O-N 2.87Å; V592-R595 PolarHBondContact O-N 3.41Å; A593-R595 VanDerWaalsContact C-N 3.31Å; A593-R595 PolarHBondContact O-N 3.49Å; R595-S599 VanDerWaalsContact O-CB 3.29Å; R595-S599 WeakPolarHBondContact O-CB 3.46Å; R595-S599 PolarHBondContact O-N 3.02Å; R595-S599 PolarHBondContact O-OG 3.45Å |
| 596 | I | 92.5 | Very high | 89.6 | Confident | 95 Ų | 95 | 74.8 Ų | 74.8 | 49% | 0.487 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.2 | -49.6 | 175.6 | -68.4 | 167.8 | 0 | 0 | 0 | 110 | V592 A593 N598 S599 I600 | V592-I596 HydrophobicContact CG1-CD1 3.9Å; V592-I596 HydrophobicContact CG1-CG1 4.35Å; V592-I596 WeakPolarHBondContact O-CG1 3.48Å; V592-I596 PolarHBondContact O-N 2.89Å; A593-I596 PolarHBondContact O-N 3.28Å; I596-N598 VanDerWaalsContact C-N 3.33Å; I596-N598 PolarHBondContact O-N 2.96Å; I596-S599 PolarHBondContact O-N 3.16Å; I596-I600 HydrophobicContact CG2-CD1 3.86Å; I596-I600 WeakPolarHBondContact O-CG1 3.33Å; I596-I600 PolarHBondContact O-N 3.45Å |
| 597 | A | 91.5 | Very high | 90.2 | Very high | 23 Ų | 23 | 70.6 Ų | 70.6 | 19% | 0.19 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.6 | -46.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | L540 I543 A593 C594 S599 I600 W601 | L540-A597 HydrophobicContact CD2-CB 4.05Å; I543-A597 HydrophobicContact CD1-CB 4.04Å; A593-A597 PolarHBondContact O-N 2.88Å; C594-A597 PolarHBondContact O-N 2.76Å; A597-S599 PolarHBondContact O-N 2.92Å; A597-I600 PolarHBondContact O-N 3.41Å; A597-W601 WeakPolarHBondContact O-CB 3.44Å; A597-W601 PolarHBondContact O-N 3.47Å |
| 598 | N | 90.3 | Very high | 90.8 | Very high | 8 Ų | 8 | 70.9 Ų | 70.9 | 4% | 0.043 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.5 | -36.8 | 178.1 | -159.7 | 56.1 | 0 | 0 | 0 | 112.2 | P589 C594 I596 W601 W602 | P589-N598 HydrophobicContact CG-CB 4.48Å; C594-N598 WeakPolarHBondContact O-CB 3.47Å; C594-N598 PolarHBondContact O-N 3.37Å; I596-N598 VanDerWaalsContact C-N 3.33Å; I596-N598 PolarHBondContact O-N 2.96Å; N598-W601 PolarHBondContact O-N 3.01Å; N598-W602 WeakPolarHBondContact ND2-CZ2 3.42Å; N598-W602 WeakPolarHBondContact O-CB 3.33Å; N598-W602 VanDerWaalsContact O-CG 3.23Å; N598-W602 PolarHBondContact O-N 2.79Å |
| 599 | S | 91.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 65.4 Ų | 65.4 | 46% | 0.455 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.8 | -41.4 | 176.3 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | R595 I596 A597 W602 F603 | R595-S599 VanDerWaalsContact O-CB 3.29Å; R595-S599 WeakPolarHBondContact O-CB 3.46Å; R595-S599 PolarHBondContact O-N 3.02Å; R595-S599 PolarHBondContact O-OG 3.45Å; I596-S599 PolarHBondContact O-N 3.16Å; A597-S599 PolarHBondContact O-N 2.92Å; S599-W602 PolarHBondContact O-N 3.14Å; S599-F603 PolarHBondContact O-N 2.87Å |
| 600 | I | 94.1 | Very high | 91.6 | Very high | 113 Ų | 113 | 67.1 Ų | 67.1 | 58% | 0.579 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -66.4 | -42.1 | 175.6 | -66.3 | 169.1 | 0 | 0 | 0 | 110.2 | I596 A597 W602 F603 F604 | I596-I600 HydrophobicContact CG2-CD1 3.86Å; I596-I600 WeakPolarHBondContact O-CG1 3.33Å; I596-I600 PolarHBondContact O-N 3.45Å; A597-I600 PolarHBondContact O-N 3.41Å; I600-W602 VanDerWaalsContact C-N 3.35Å; I600-W602 PolarHBondContact O-N 3.32Å; I600-F603 PolarHBondContact O-N 3.12Å; I600-F604 PolarHBondContact O-N 2.72Å |
| 601 | W | 94.5 | Very high | 92.1 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 5% | 0.045 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 174.9 | -178.6 | -120.5 | 0 | 0 | 0 | 112.3 | A532 C533 V536 S576 V580 A597 N598 F603 F604 T605 | A532-W601 HydrophobicContact CB-CH2 4.2Å; A532-W601 HydrophobicContact CB-CZ3 4.1Å; C533-W601 HydrophobicContact CB-CH2 4.43Å; C533-W601 HydrophobicContact CB-CZ2 4.42Å; V536-W601 HydrophobicContact CB-CD2 4.3Å; V536-W601 HydrophobicContact CB-CE3 4.29Å; V536-W601 HydrophobicContact CG1-CB 4.28Å; V536-W601 HydrophobicContact CG1-CD2 4Å; V536-W601 HydrophobicContact CG1-CE3 4.4Å; V536-W601 HydrophobicContact CG1-CG 3.95Å; V536-W601 HydrophobicContact CG2-CD2 4.02Å; V536-W601 HydrophobicContact CG2-CE3 3.56Å; V536-W601 HydrophobicContact CG2-CH2 4.45Å; V536-W601 HydrophobicContact CG2-CZ3 3.79Å; S576-W601 PolarHBondContact O-NE1 3.09Å; S576-W601 VanDerWaalsContact O-NE1 3.08Å; V580-W601 HydrophobicContact CG2-CH2 4.36Å; V580-W601 HydrophobicContact CG2-CZ2 3.64Å; A597-W601 WeakPolarHBondContact O-CB 3.44Å; A597-W601 PolarHBondContact O-N 3.47Å; N598-W601 PolarHBondContact O-N 3.01Å; W601-F603 VanDerWaalsContact C-N 3.33Å; W601-F603 PolarHBondContact O-N 3.42Å; W601-F604 HydrophobicContact CE3-CB 4.41Å; W601-F604 AromaticContact CE3-CD1 3.64Å; W601-F604 HydrophobicContact CE3-CD1 3.64Å; W601-F604 HydrophobicContact CE3-CE1 4.33Å; W601-F604 HydrophobicContact CE3-CG 4.31Å; W601-F604 HydrophobicContact CH2-CD1 4.03Å; W601-F604 AromaticContact CH2-CE1 3.98Å; W601-F604 HydrophobicContact CH2-CE1 3.98Å; W601-F604 AromaticContact CZ3-CD1 3.31Å; W601-F604 HydrophobicContact CZ3-CD1 3.31Å; W601-F604 AromaticContact CZ3-CE1 3.54Å; W601-F604 HydrophobicContact CZ3-CE1 3.54Å; W601-F604 HydrophobicContact CZ3-CG 4.28Å; W601-F604 PolarHBondContact O-N 3.14Å; W601-T605 HydrophobicContact CD2-CG2 3.93Å; W601-T605 HydrophobicContact CE3-CG2 4.38Å; W601-T605 HydrophobicContact CG-CG2 4.43Å; W601-T605 HydrophobicContact CH2-CG2 4.31Å; W601-T605 HydrophobicContact CZ2-CG2 3.8Å; W601-T605 WeakPolarHBondContact O-CB 3.44Å; W601-T605 WeakPolarHBondContact O-CG2 3.15Å; W601-T605 PolarHBondContact O-N 3.29Å; W601-T605 PolarHBondContact O-OG1 2.81Å |
| 602 | W | 93 | Very high | 92.3 | Very high | 145 Ų | 145 | 66.1 Ų | 66.1 | 55% | 0.549 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.7 | -41.1 | 172.5 | -74.8 | -10.6 | 0 | 0 | 0 | 112.5 | N598 S599 I600 T605 M606 | N598-W602 WeakPolarHBondContact ND2-CZ2 3.42Å; N598-W602 WeakPolarHBondContact O-CB 3.33Å; N598-W602 VanDerWaalsContact O-CG 3.23Å; N598-W602 PolarHBondContact O-N 2.79Å; S599-W602 PolarHBondContact O-N 3.14Å; I600-W602 VanDerWaalsContact C-N 3.35Å; I600-W602 PolarHBondContact O-N 3.32Å; W602-T605 VanDerWaalsContact CA-OG1 3.3Å; W602-T605 WeakPolarHBondContact CA-OG1 3.45Å; W602-T605 PolarHBondContact O-OG1 3.49Å; W602-M606 WeakPolarHBondContact O-CB 3.42Å; W602-M606 PolarHBondContact O-N 2.71Å |
| 603 | F | 94.2 | Very high | 92.3 | Very high | 134 Ų | 134 | 65 Ų | 65 | 59% | 0.588 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -65.7 | -43.3 | 176 | -169.1 | -109.7 | 0 | 0 | 0 | 112.1 | S599 I600 W601 M606 I607 | S599-F603 PolarHBondContact O-N 2.87Å; I600-F603 PolarHBondContact O-N 3.12Å; W601-F603 VanDerWaalsContact C-N 3.33Å; W601-F603 PolarHBondContact O-N 3.42Å; F603-M606 PolarHBondContact O-N 3.04Å; F603-I607 HydrophobicContact CD1-CD1 3.73Å; F603-I607 HydrophobicContact CE1-CD1 3.39Å; F603-I607 HydrophobicContact CE1-CG1 4.44Å; F603-I607 HydrophobicContact CG-CD1 4.44Å; F603-I607 HydrophobicContact CZ-CD1 3.83Å; F603-I607 WeakPolarHBondContact O-CG1 3.08Å; F603-I607 PolarHBondContact O-N 3.04Å |
| 604 | F | 95 | Very high | 92.3 | Very high | 78 Ų | 78 | 65.8 Ų | 65.8 | 34% | 0.342 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.4 | -50.2 | 175.2 | 172.5 | -95.7 | 0 | 0 | 0 | 112.1 | I600 W601 M606 I607 I608 | I600-F604 PolarHBondContact O-N 2.72Å; W601-F604 HydrophobicContact CE3-CB 4.41Å; W601-F604 AromaticContact CE3-CD1 3.64Å; W601-F604 HydrophobicContact CE3-CD1 3.64Å; W601-F604 HydrophobicContact CE3-CE1 4.33Å; W601-F604 HydrophobicContact CE3-CG 4.31Å; W601-F604 HydrophobicContact CH2-CD1 4.03Å; W601-F604 AromaticContact CH2-CE1 3.98Å; W601-F604 HydrophobicContact CH2-CE1 3.98Å; W601-F604 AromaticContact CZ3-CD1 3.31Å; W601-F604 HydrophobicContact CZ3-CD1 3.31Å; W601-F604 AromaticContact CZ3-CE1 3.54Å; W601-F604 HydrophobicContact CZ3-CE1 3.54Å; W601-F604 HydrophobicContact CZ3-CG 4.28Å; W601-F604 PolarHBondContact O-N 3.14Å; F604-M606 VanDerWaalsContact C-N 3.35Å; F604-M606 PolarHBondContact O-N 3.31Å; F604-I607 PolarHBondContact O-N 3.19Å; F604-I608 HydrophobicContact CD1-CG1 4.39Å; F604-I608 HydrophobicContact CD2-CG1 4.45Å; F604-I608 HydrophobicContact CE1-CG1 3.93Å; F604-I608 HydrophobicContact CE2-CD1 4.34Å; F604-I608 HydrophobicContact CE2-CG1 3.99Å; F604-I608 HydrophobicContact CZ-CD1 4.2Å; F604-I608 HydrophobicContact CZ-CG1 3.72Å; F604-I608 WeakPolarHBondContact O-CG1 3.39Å; F604-I608 PolarHBondContact O-N 2.95Å |
| 605 | T | 93.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 69.6 Ų | 69.6 | 6% | 0.055 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.1 | -39.3 | 179.5 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | A579 V580 W601 W602 I607 I608 V609 | A579-T605 HydrophobicContact CB-CG2 4.41Å; V580-T605 HydrophobicContact CB-CG2 4.42Å; V580-T605 HydrophobicContact CG2-CG2 3.7Å; W601-T605 HydrophobicContact CD2-CG2 3.93Å; W601-T605 HydrophobicContact CE3-CG2 4.38Å; W601-T605 HydrophobicContact CG-CG2 4.43Å; W601-T605 HydrophobicContact CH2-CG2 4.31Å; W601-T605 HydrophobicContact CZ2-CG2 3.8Å; W601-T605 WeakPolarHBondContact O-CB 3.44Å; W601-T605 WeakPolarHBondContact O-CG2 3.15Å; W601-T605 PolarHBondContact O-N 3.29Å; W601-T605 PolarHBondContact O-OG1 2.81Å; W602-T605 VanDerWaalsContact CA-OG1 3.3Å; W602-T605 WeakPolarHBondContact CA-OG1 3.45Å; W602-T605 PolarHBondContact O-OG1 3.49Å; T605-I607 PolarHBondContact O-N 3.24Å; T605-I608 PolarHBondContact O-N 3.3Å; T605-V609 WeakPolarHBondContact O-CB 3.3Å; T605-V609 VanDerWaalsContact O-CG2 3.3Å; T605-V609 WeakPolarHBondContact O-CG2 3.46Å; T605-V609 PolarHBondContact O-N 3.49Å |
| 606 | M | 92.4 | Very high | 91.9 | Very high | 114 Ų | 114 | 64.7 Ų | 64.7 | 56% | 0.562 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -57 | -46.9 | 172.1 | -180 | -173.5 | 175.4 | 0 | 0 | 111.7 | W602 F603 F604 S610 | W602-M606 WeakPolarHBondContact O-CB 3.42Å; W602-M606 PolarHBondContact O-N 2.71Å; F603-M606 PolarHBondContact O-N 3.04Å; F604-M606 VanDerWaalsContact C-N 3.35Å; F604-M606 PolarHBondContact O-N 3.31Å; M606-S610 WeakPolarHBondContact O-CB 3.26Å; M606-S610 PolarHBondContact O-N 3.44Å; M606-S610 PolarHBondContact O-OG 3.42Å |
| 607 | I | 93.9 | Very high | 91.3 | Very high | 81 Ų | 81 | 62.8 Ų | 62.8 | 42% | 0.415 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -63.1 | -47.6 | 178.8 | -70.3 | 168 | 0 | 0 | 0 | 110.9 | F603 F604 T605 S611 | F603-I607 HydrophobicContact CD1-CD1 3.73Å; F603-I607 HydrophobicContact CE1-CD1 3.39Å; F603-I607 HydrophobicContact CE1-CG1 4.44Å; F603-I607 HydrophobicContact CG-CD1 4.44Å; F603-I607 HydrophobicContact CZ-CD1 3.83Å; F603-I607 WeakPolarHBondContact O-CG1 3.08Å; F603-I607 PolarHBondContact O-N 3.04Å; F604-I607 PolarHBondContact O-N 3.19Å; T605-I607 PolarHBondContact O-N 3.24Å; I607-S611 VanDerWaalsContact O-CB 3.28Å; I607-S611 WeakPolarHBondContact O-CB 3.4Å; I607-S611 PolarHBondContact O-N 3.45Å; I607-S611 PolarHBondContact O-OG 3.22Å |
| 608 | I | 93.3 | Very high | 90.8 | Very high | 37 Ų | 37 | 63.9 Ų | 63.9 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64 | -48.4 | -178.4 | -69.7 | -65.6 | 0 | 0 | 0 | 111.4 | I529 F604 T605 S610 S611 Y612 | I529-I608 HydrophobicContact CD1-CG2 3.75Å; I529-I608 HydrophobicContact CG1-CG2 4.37Å; F604-I608 HydrophobicContact CD1-CG1 4.39Å; F604-I608 HydrophobicContact CD2-CG1 4.45Å; F604-I608 HydrophobicContact CE1-CG1 3.93Å; F604-I608 HydrophobicContact CE2-CD1 4.34Å; F604-I608 HydrophobicContact CE2-CG1 3.99Å; F604-I608 HydrophobicContact CZ-CD1 4.2Å; F604-I608 HydrophobicContact CZ-CG1 3.72Å; F604-I608 WeakPolarHBondContact O-CG1 3.39Å; F604-I608 PolarHBondContact O-N 2.95Å; T605-I608 PolarHBondContact O-N 3.3Å; I608-S610 PolarHBondContact O-N 2.83Å; I608-S611 PolarHBondContact O-N 3.31Å; I608-Y612 WeakPolarHBondContact O-CB 3.44Å; I608-Y612 PolarHBondContact O-N 3.24Å |
| 609 | V | 92.1 | Very high | 90 | Very high | 28 Ų | 28 | 67.8 Ų | 67.8 | 17% | 0.17 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.9 | -39 | -179 | 177.9 | 0 | 0 | 0 | 0 | 111.2 | V580 Q582 T605 S611 Y612 T613 | V580-V609 WeakPolarHBondContact O-CG2 3.1Å; Q582-V609 HydrophobicContact CG-CG1 4.38Å; T605-V609 WeakPolarHBondContact O-CB 3.3Å; T605-V609 VanDerWaalsContact O-CG2 3.3Å; T605-V609 WeakPolarHBondContact O-CG2 3.46Å; T605-V609 PolarHBondContact O-N 3.49Å; V609-S611 VanDerWaalsContact C-N 3.35Å; V609-Y612 PolarHBondContact O-N 2.82Å; V609-T613 WeakPolarHBondContact O-CB 3.01Å; V609-T613 PolarHBondContact O-N 2.79Å; V609-T613 PolarHBondContact O-OG1 3.37Å |
| 610 | S | 91.3 | Very high | 89 | Confident | 59 Ų | 59 | 68.3 Ų | 68.3 | 41% | 0.413 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 175.6 | -57.7 | 0 | 0 | 0 | 0 | 111.4 | M606 I608 T613 A614 | M606-S610 WeakPolarHBondContact O-CB 3.26Å; M606-S610 PolarHBondContact O-N 3.44Å; M606-S610 PolarHBondContact O-OG 3.42Å; I608-S610 PolarHBondContact O-N 2.83Å; S610-T613 PolarHBondContact O-N 3.22Å; S610-A614 WeakPolarHBondContact O-CB 3.03Å; S610-A614 PolarHBondContact O-N 3.05Å |
| 611 | S | 92.1 | Very high | 87.7 | Confident | 49 Ų | 49 | 68.4 Ų | 68.4 | 34% | 0.343 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -65.8 | -41.8 | 176.1 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | I607 I608 V609 A614 N615 | I607-S611 VanDerWaalsContact O-CB 3.28Å; I607-S611 WeakPolarHBondContact O-CB 3.4Å; I607-S611 PolarHBondContact O-N 3.45Å; I607-S611 PolarHBondContact O-OG 3.22Å; I608-S611 PolarHBondContact O-N 3.31Å; V609-S611 VanDerWaalsContact C-N 3.35Å; S611-A614 PolarHBondContact O-N 3.3Å; S611-N615 VanDerWaalsContact O-CB 3.3Å; S611-N615 WeakPolarHBondContact O-CB 3.37Å; S611-N615 VanDerWaalsContact O-CG 3.27Å; S611-N615 PolarHBondContact O-N 3.3Å |
| 612 | Y | 92.4 | Very high | 86.1 | Confident | 51 Ų | 51 | 72.4 Ų | 72.4 | 20% | 0.2 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -60.1 | -47.6 | 173.7 | 172.3 | -96.6 | 0 | 0 | 0 | 111.3 | F517 P520 L521 W526 I608 V609 A614 N615 L616 | F517-Y612 VanDerWaalsContact O-CE2 3.31Å; F517-Y612 WeakPolarHBondContact O-CE2 3.24Å; F517-Y612 PolarHBondContact O-OH 3.06Å; P520-Y612 HydrophobicContact CB-CD2 4.11Å; P520-Y612 HydrophobicContact CB-CE2 4.23Å; P520-Y612 HydrophobicContact CG-CD2 4.49Å; P520-Y612 HydrophobicContact CG-CE2 4.13Å; L521-Y612 HydrophobicContact CD1-CD2 3.88Å; L521-Y612 HydrophobicContact CD1-CG 4.48Å; L521-Y612 HydrophobicContact CG-CD2 4.07Å; W526-Y612 HydrophobicContact CZ2-CE2 4.28Å; I608-Y612 WeakPolarHBondContact O-CB 3.44Å; I608-Y612 PolarHBondContact O-N 3.24Å; V609-Y612 PolarHBondContact O-N 2.82Å; Y612-A614 PolarHBondContact O-N 2.96Å; Y612-N615 PolarHBondContact O-N 3.08Å; Y612-L616 HydrophobicContact CE1-CD2 4.11Å; Y612-L616 VanDerWaalsContact O-CB 3.23Å; Y612-L616 WeakPolarHBondContact O-CB 3.02Å; Y612-L616 PolarHBondContact O-N 3.4Å |
| 613 | T | 89.8 | Confident | 84.5 | Confident | 81 Ų | 81 | 71.2 Ų | 71.2 | 50% | 0.497 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.4 | -43.9 | 179.9 | -54.3 | 0 | 0 | 0 | 0 | 111.2 | V609 S610 A617 | V609-T613 WeakPolarHBondContact O-CB 3.01Å; V609-T613 PolarHBondContact O-N 2.79Å; V609-T613 PolarHBondContact O-OG1 3.37Å; S610-T613 PolarHBondContact O-N 3.22Å; T613-A617 WeakPolarHBondContact O-CB 3.45Å; T613-A617 PolarHBondContact O-N 3.41Å |
| 614 | A | 89.8 | Confident | 82.6 | Confident | 58 Ų | 58 | 70.8 Ų | 70.8 | 48% | 0.479 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.2 | -46.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | S610 S611 Y612 L616 A617 A618 | S610-A614 WeakPolarHBondContact O-CB 3.03Å; S610-A614 PolarHBondContact O-N 3.05Å; S611-A614 PolarHBondContact O-N 3.3Å; Y612-A614 PolarHBondContact O-N 2.96Å; A614-L616 PolarHBondContact O-N 3.29Å; A614-A617 PolarHBondContact O-N 2.99Å; A614-A618 WeakPolarHBondContact O-CB 2.84Å; A614-A618 PolarHBondContact O-N 3.4Å |
| 615 | N | 87.2 | Confident | 81 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 43% | 0.428 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.1 | -37.7 | 179.3 | -74.5 | -5.2 | 0 | 0 | 0 | 112 | P520 S611 Y612 A618 F619 | P520-N615 HydrophobicContact CB-CB 3.91Å; S611-N615 VanDerWaalsContact O-CB 3.3Å; S611-N615 WeakPolarHBondContact O-CB 3.37Å; S611-N615 VanDerWaalsContact O-CG 3.27Å; S611-N615 PolarHBondContact O-N 3.3Å; Y612-N615 PolarHBondContact O-N 3.08Å; N615-A618 PolarHBondContact O-N 3.44Å; N615-F619 VanDerWaalsContact O-CB 3.29Å; N615-F619 WeakPolarHBondContact O-CB 3.43Å; N615-F619 PolarHBondContact O-N 2.86Å |
| 616 | L | 84.3 | Confident | 79.6 | Confident | 39 Ų | 39 | 76.7 Ų | 76.7 | 20% | 0.204 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.4 | -45 | 175.1 | -179.2 | 62.6 | 0 | 0 | 0 | 111 | P520 Y612 A614 A618 F619 L620 | P520-L616 HydrophobicContact CG-CB 3.91Å; P520-L616 HydrophobicContact CG-CD1 3.78Å; P520-L616 HydrophobicContact CG-CG 4.44Å; Y612-L616 HydrophobicContact CE1-CD2 4.11Å; Y612-L616 VanDerWaalsContact O-CB 3.23Å; Y612-L616 WeakPolarHBondContact O-CB 3.02Å; Y612-L616 PolarHBondContact O-N 3.4Å; A614-L616 PolarHBondContact O-N 3.29Å; L616-A618 VanDerWaalsContact C-N 3.33Å; L616-A618 PolarHBondContact O-N 3Å; L616-F619 PolarHBondContact O-N 2.74Å; L616-L620 HydrophobicContact CD1-CD1 4.33Å; L616-L620 HydrophobicContact CD1-CG 4.27Å; L616-L620 HydrophobicContact CG-CD1 4.14Å; L616-L620 HydrophobicContact CG-CG 4.49Å; L616-L620 WeakPolarHBondContact O-CB 3.41Å; L616-L620 VanDerWaalsContact O-CG 3.31Å; L616-L620 WeakPolarHBondContact O-CG 3.44Å; L616-L620 PolarHBondContact O-N 3.24Å |
| 617 | A | 80.5 | Confident | 78.9 | Confident | 55 Ų | 55 | 72.4 Ų | 72.4 | 46% | 0.455 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | T613 A614 F619 L620 T621 | T613-A617 WeakPolarHBondContact O-CB 3.45Å; T613-A617 PolarHBondContact O-N 3.41Å; A614-A617 PolarHBondContact O-N 2.99Å; A617-F619 VanDerWaalsContact C-N 3.34Å; A617-F619 PolarHBondContact O-N 3.42Å; A617-L620 PolarHBondContact O-N 3.46Å; A617-T621 WeakPolarHBondContact O-CG2 3.46Å; A617-T621 PolarHBondContact O-N 3.26Å; A617-T621 PolarHBondContact O-OG1 3.18Å |
| 618 | A | 80.3 | Confident | 78.3 | Confident | 46 Ų | 46 | 72.9 Ų | 72.9 | 38% | 0.38 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65 | -35.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | A614 N615 L616 T621 L622 | A614-A618 WeakPolarHBondContact O-CB 2.84Å; A614-A618 PolarHBondContact O-N 3.4Å; N615-A618 PolarHBondContact O-N 3.44Å; L616-A618 VanDerWaalsContact C-N 3.33Å; L616-A618 PolarHBondContact O-N 3Å; A618-T621 PolarHBondContact O-OG1 3.29Å; A618-L622 WeakPolarHBondContact O-CD1 3.46Å; A618-L622 WeakPolarHBondContact O-CG 3.47Å; A618-L622 PolarHBondContact O-N 2.97Å |
| 619 | F | 73.8 | Confident | 77.9 | Confident | 90 Ų | 90 | 71.3 Ų | 71.3 | 40% | 0.395 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -70.8 | -40 | 177.7 | -169.6 | -95.8 | 0 | 0 | 0 | 111.8 | N615 L616 A617 T621 L622 | N615-F619 VanDerWaalsContact O-CB 3.29Å; N615-F619 WeakPolarHBondContact O-CB 3.43Å; N615-F619 PolarHBondContact O-N 2.86Å; L616-F619 PolarHBondContact O-N 2.74Å; A617-F619 VanDerWaalsContact C-N 3.34Å; A617-F619 PolarHBondContact O-N 3.42Å; F619-T621 VanDerWaalsContact C-N 3.28Å; F619-T621 PolarHBondContact O-N 3.22Å; F619-L622 PolarHBondContact O-N 3.43Å |
| 620 | L | 70.7 | Confident | 77.7 | Confident | 75 Ų | 75 | 76.4 Ų | 76.4 | 39% | 0.393 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -67.3 | -27.4 | 177.8 | -71.5 | 173 | 0 | 0 | 0 | 113.2 | L616 A617 L781 | L616-L620 HydrophobicContact CD1-CD1 4.33Å; L616-L620 HydrophobicContact CD1-CG 4.27Å; L616-L620 HydrophobicContact CG-CD1 4.14Å; L616-L620 HydrophobicContact CG-CG 4.49Å; L616-L620 WeakPolarHBondContact O-CB 3.41Å; L616-L620 VanDerWaalsContact O-CG 3.31Å; L616-L620 WeakPolarHBondContact O-CG 3.44Å; L616-L620 PolarHBondContact O-N 3.24Å; A617-L620 PolarHBondContact O-N 3.46Å; L620-L781 HydrophobicContact CD1-CD2 4.27Å; L620-L781 HydrophobicContact CD2-CD2 4.32Å |
| 621 | T | 67.3 | Low | 77.6 | Confident | 115 Ų | 115 | 75 Ų | 75 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -81.3 | -21.4 | 174.9 | 55.6 | 0 | 0 | 0 | 0 | 112.9 | A617 A618 F619 E623 | A617-T621 WeakPolarHBondContact O-CG2 3.46Å; A617-T621 PolarHBondContact O-N 3.26Å; A617-T621 PolarHBondContact O-OG1 3.18Å; A618-T621 PolarHBondContact O-OG1 3.29Å; F619-T621 VanDerWaalsContact C-N 3.28Å; F619-T621 PolarHBondContact O-N 3.22Å; T621-E623 PolarHBondContact O-N 2.99Å |
| 622 | L | 62 | Low | 77.6 | Confident | 97 Ų | 97 | 73.3 Ų | 73.3 | 51% | 0.508 | 40% | 0.404 | S | S | . | . | trans | -91.4 | 82.9 | 179.1 | -74.4 | 167.9 | 0 | 0 | 0 | 111.3 | A618 F619 K624 | A618-L622 WeakPolarHBondContact O-CD1 3.46Å; A618-L622 WeakPolarHBondContact O-CG 3.47Å; A618-L622 PolarHBondContact O-N 2.97Å; F619-L622 PolarHBondContact O-N 3.43Å; L622-K624 VanDerWaalsContact C-N 3.28Å; L622-K624 HydrophobicContact CB-CG 4.27Å; L622-K624 PolarHBondContact O-N 2.67Å | ||
| 623 | E | 58.4 | Low | 77.5 | Confident | 119 Ų | 119 | 74.9 Ų | 74.9 | 56% | 0.556 | 41% | 0.413 | S | S | * | . | trans | -71.9 | 86.3 | 157.6 | -69.2 | -158.4 | 174.9 | 0 | 0 | 108.7 | K509 T621 M625 | K509-E623 IonicContact NZ-OE1 3.94Å; K509-E623 IonicContact NZ-OE2 2.84Å; K509-E623 PolarHBondContact NZ-OE2 3.21Å; T621-E623 PolarHBondContact O-N 2.99Å; E623-M625 PolarHBondContact O-N 3.03Å | ||
| 624 | K | 54.6 | Low | 77.5 | Confident | 125 Ų | 125 | 73.9 Ų | 73.9 | 54% | 0.543 | 41% | 0.405 | S | S | . | . | trans | -78.8 | 107.5 | 175.7 | -65.1 | -169.2 | -174.9 | -180 | 0 | 110.5 | L622 H626 | L622-K624 VanDerWaalsContact C-N 3.28Å; L622-K624 HydrophobicContact CB-CG 4.27Å; L622-K624 PolarHBondContact O-N 2.67Å; K624-H626 WeakPolarHBondContact CD-NE2 3.29Å; K624-H626 PolarHBondContact O-N 3.16Å | ||
| 625 | M | 60.5 | Low | 77.6 | Confident | 92 Ų | 92 | 71.1 Ų | 71.1 | 45% | 0.453 | 38% | 0.382 | S | S | . | . | trans | -85 | 97.5 | 158.7 | -67.5 | -106.5 | -85.6 | 0 | 0 | 107.6 | K506 P507 K509 E623 A627 | K506-M625 HydrophobicContact CD-CE 4.44Å; P507-M625 HydrophobicContact CG-SD 4.42Å; K509-M625 HydrophobicContact CG-SD 4.41Å; E623-M625 PolarHBondContact O-N 3.03Å; M625-A627 PolarHBondContact O-N 3.45Å | ||
| 626 | H | 64.6 | Low | 77.8 | Confident | 120 Ų | 120 | 67.8 Ų | 67.8 | 56% | 0.556 | 37% | 0.365 | S | S | * | . | trans | -81.1 | 110.7 | 170.1 | -81.1 | -68.5 | 0 | 0 | 0 | 109.3 | K624 | K624-H626 WeakPolarHBondContact CD-NE2 3.29Å; K624-H626 PolarHBondContact O-N 3.16Å | ||
| 627 | A | 77.8 | Confident | 78.1 | Confident | 24 Ų | 24 | 73.1 Ų | 73.1 | 20% | 0.198 | 39% | 0.387 | C | S | . | . | trans | -68.5 | 138.9 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | I504 M625 I629 M717 V719 | I504-A627 HydrophobicContact CD1-CB 4.35Å; M625-A627 PolarHBondContact O-N 3.45Å; A627-I629 WeakPolarHBondContact CB-O 3.13Å; A627-I629 PolarHBondContact O-N 3.26Å; A627-M717 HydrophobicContact CB-CE 4.42Å; A627-V719 HydrophobicContact CB-CG2 4.28Å | ||
| 628 | P | 80.8 | Confident | 78.6 | Confident | 90 Ų | 90 | 72.5 Ų | 72.5 | 58% | 0.584 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -67.8 | -16.3 | -179.6 | 26.9 | -34.9 | 0 | 0 | 0 | 113.6 | I504 I641 | I504-P628 HydrophobicContact CD1-CG 4.24Å; P628-I641 HydrophobicContact CB-CD1 4.26Å; P628-I641 HydrophobicContact CG-CD1 4.14Å |
| 629 | I | 86.4 | Confident | 78.9 | Confident | 5 Ų | 5 | 76.3 Ų | 76.3 | 3% | 0.026 | 39% | 0.388 | C | S | . | . | trans | -137.6 | 144 | 176.6 | 48.1 | 167.6 | 0 | 0 | 0 | 107.8 | I502 I504 A627 D634 L635 I641 V719 | I502-I629 HydrophobicContact CG2-CD1 3.94Å; I504-I629 HydrophobicContact CD1-CG1 4.49Å; I504-I629 HydrophobicContact CG2-CD1 3.68Å; I504-I629 HydrophobicContact CG2-CG1 4.24Å; A627-I629 WeakPolarHBondContact CB-O 3.13Å; A627-I629 PolarHBondContact O-N 3.26Å; I629-D634 HydrophobicContact CG2-CB 4.35Å; I629-L635 HydrophobicContact CD1-CB 4.36Å; I629-L635 HydrophobicContact CD1-CD1 3.86Å; I629-I641 HydrophobicContact CG1-CD1 4.48Å; I629-I641 HydrophobicContact CG2-CD1 3.99Å; I629-V719 HydrophobicContact CG1-CG1 4.13Å; I629-V719 WeakPolarHBondContact O-CG1 3.43Å | ||
| 630 | E | 86.8 | Confident | 79.6 | Confident | 134 Ų | 134 | 80.5 Ų | 80.5 | 63% | 0.626 | 41% | 0.406 | S | S | * | . | trans | -116.9 | -26.9 | 178.4 | -64.5 | -175.3 | 175.2 | 0 | 0 | 112.1 | D634 G720 | E630-D634 PolarHBondContact N-OD2 2.82Å; E630-G720 WeakPolarHBondContact O-CA 3.36Å; E630-G720 PolarHBondContact O-N 2.98Å | ||
| 631 | S | 90.1 | Very high | 80.7 | Confident | 30 Ų | 30 | 77.6 Ų | 77.6 | 21% | 0.21 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -134.2 | 167.8 | -175.4 | 69.2 | 0 | 0 | 0 | 0 | 113.2 | E633 D634 L635 | S631-E633 VanDerWaalsContact C-N 3.28Å; S631-E633 WeakPolarHBondContact CB-OE2 3.26Å; S631-D634 PolarHBondContact N-OD2 3.39Å; S631-D634 VanDerWaalsContact N-OD2 3.17Å; S631-D634 PolarHBondContact O-N 3.37Å; S631-D634 PolarHBondContact OG-N 3.03Å; S631-D634 VanDerWaalsContact OG-N 3.14Å; S631-D634 PolarHBondContact OG-OD1 2Å; S631-D634 PolarHBondContact OG-OD2 2.83Å; S631-L635 PolarHBondContact O-N 3.26Å |
| 632 | V | 90.6 | Very high | 82 | Confident | 14 Ų | 14 | 77.7 Ų | 77.7 | 9% | 0.085 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66 | -33.7 | 172 | 63.7 | 0 | 0 | 0 | 0 | 111.5 | I502 D634 L635 A636 M666 L723 | I502-V632 HydrophobicContact CD1-CB 4.14Å; V632-D634 VanDerWaalsContact C-N 3.34Å; V632-L635 PolarHBondContact O-N 2.75Å; V632-A636 WeakPolarHBondContact O-CB 3.29Å; V632-A636 PolarHBondContact O-N 2.94Å; V632-M666 HydrophobicContact CG2-CE 3.95Å; V632-M666 HydrophobicContact CG2-SD 3.41Å; V632-M666 WeakPolarHBondContact CG2-SD 3.47Å; V632-L723 HydrophobicContact CB-CD1 4.04Å; V632-L723 HydrophobicContact CB-CD2 4.15Å; V632-L723 HydrophobicContact CB-CG 3.91Å; V632-L723 HydrophobicContact CG1-CG 4.14Å; V632-L723 HydrophobicContact CG2-CD1 4.31Å; V632-L723 HydrophobicContact CG2-CD2 3.56Å; V632-L723 HydrophobicContact CG2-CG 3.89Å |
| 633 | E | 90.9 | Very high | 83.6 | Confident | 84 Ų | 84 | 73.3 Ų | 73.3 | 39% | 0.393 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -64 | -40.7 | 177 | -69 | 70.9 | -157 | 0 | 0 | 111.3 | S631 A636 K637 | S631-E633 VanDerWaalsContact C-N 3.28Å; S631-E633 WeakPolarHBondContact CB-OE2 3.26Å; E633-A636 PolarHBondContact O-N 3.04Å; E633-K637 WeakPolarHBondContact O-CB 3.29Å; E633-K637 WeakPolarHBondContact O-CG 3.47Å; E633-K637 PolarHBondContact O-N 3.38Å |
| 634 | D | 91 | Very high | 85.3 | Confident | 60 Ų | 60 | 67.6 Ų | 67.6 | 32% | 0.321 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 177 | -59.9 | -34.7 | 0 | 0 | 0 | 110.6 | I629 E630 S631 V632 A636 K637 Q638 | I629-D634 HydrophobicContact CG2-CB 4.35Å; E630-D634 PolarHBondContact N-OD2 2.82Å; S631-D634 PolarHBondContact N-OD2 3.39Å; S631-D634 VanDerWaalsContact N-OD2 3.17Å; S631-D634 PolarHBondContact O-N 3.37Å; S631-D634 PolarHBondContact OG-N 3.03Å; S631-D634 VanDerWaalsContact OG-N 3.14Å; S631-D634 PolarHBondContact OG-OD1 2Å; S631-D634 PolarHBondContact OG-OD2 2.83Å; V632-D634 VanDerWaalsContact C-N 3.34Å; D634-A636 VanDerWaalsContact C-N 3.27Å; D634-A636 PolarHBondContact O-N 2.99Å; D634-K637 PolarHBondContact O-N 3.38Å; D634-Q638 WeakPolarHBondContact O-CG 3.4Å; D634-Q638 PolarHBondContact O-N 2.92Å |
| 635 | L | 91.9 | Very high | 87.3 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.5 | -39.1 | 176.7 | -176.3 | 68.4 | 0 | 0 | 0 | 111.6 | I502 I629 S631 V632 Q638 I641 Y643 M666 A697 L699 | I502-L635 HydrophobicContact CD1-CD2 4.11Å; I502-L635 HydrophobicContact CG1-CD2 4.42Å; I502-L635 HydrophobicContact CG2-CD2 4.1Å; I629-L635 HydrophobicContact CD1-CB 4.36Å; I629-L635 HydrophobicContact CD1-CD1 3.86Å; S631-L635 PolarHBondContact O-N 3.26Å; V632-L635 PolarHBondContact O-N 2.75Å; L635-Q638 PolarHBondContact O-NE2 2.69Å; L635-I641 HydrophobicContact CD1-CB 4.21Å; L635-I641 HydrophobicContact CD1-CG2 4.03Å; L635-Y643 HydrophobicContact CD1-CD1 3.83Å; L635-Y643 HydrophobicContact CD1-CG 4.36Å; L635-Y643 HydrophobicContact CD2-CD1 4.08Å; L635-Y643 HydrophobicContact CD2-CG 3.94Å; L635-Y643 HydrophobicContact CG-CD1 3.67Å; L635-Y643 HydrophobicContact CG-CE1 4.2Å; L635-Y643 HydrophobicContact CG-CG 4.07Å; L635-M666 HydrophobicContact CD2-CE 4.09Å; L635-A697 HydrophobicContact CD1-CB 4.02Å; L635-A697 HydrophobicContact CD2-CB 4.26Å; L635-L699 HydrophobicContact CD2-CD1 4.06Å |
| 636 | A | 91 | Very high | 88.8 | Confident | 9 Ų | 9 | 59.4 Ų | 59.4 | 7% | 0.074 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -79.1 | -19 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | V632 E633 D634 V662 R665 M666 | V632-A636 WeakPolarHBondContact O-CB 3.29Å; V632-A636 PolarHBondContact O-N 2.94Å; E633-A636 PolarHBondContact O-N 3.04Å; D634-A636 VanDerWaalsContact C-N 3.27Å; D634-A636 PolarHBondContact O-N 2.99Å; A636-V662 HydrophobicContact CB-CG1 3.92Å; A636-R665 PolarHBondContact O-NH2 3.23Å; A636-M666 HydrophobicContact CB-CG 3.87Å; A636-M666 HydrophobicContact CB-SD 4.13Å |
| 637 | K | 90.5 | Very high | 89.8 | Confident | 152 Ų | 152 | 56.3 Ų | 56.3 | 66% | 0.661 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -84.4 | -18 | 177 | -77 | 168.7 | -173.7 | 170.1 | 0 | 113.1 | E633 D634 | E633-K637 WeakPolarHBondContact O-CB 3.29Å; E633-K637 WeakPolarHBondContact O-CG 3.47Å; E633-K637 PolarHBondContact O-N 3.38Å; D634-K637 PolarHBondContact O-N 3.38Å |
| 638 | Q | 90.5 | Very high | 90 | Very high | 42 Ų | 42 | 58.6 Ų | 58.6 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | trans | -112.8 | 159 | -174.3 | 67.6 | 75.4 | 44.3 | 0 | 0 | 111.9 | D634 L635 I641 | D634-Q638 WeakPolarHBondContact O-CG 3.4Å; D634-Q638 PolarHBondContact O-N 2.92Å; L635-Q638 PolarHBondContact O-NE2 2.69Å; Q638-I641 PolarHBondContact NE2-O 2.89Å | ||
| 639 | N | 86.7 | Confident | 90.2 | Very high | 126 Ų | 126 | 55.8 Ų | 55.8 | 67% | 0.674 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -121.4 | 0.5 | -179.9 | -65.1 | -16.9 | 0 | 0 | 0 | 113.9 | ||
| 640 | K | 89.3 | Confident | 90.2 | Very high | 178 Ų | 178 | 56.6 Ų | 56.6 | 77% | 0.774 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -73.1 | -45.2 | -177.7 | -173.9 | -179.4 | 179.3 | -176.9 | 0 | 111.5 | ||
| 641 | I | 92.1 | Very high | 90.3 | Very high | 14 Ų | 14 | 50.5 Ų | 50.5 | 7% | 0.072 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -92.4 | 110 | 174.7 | -54.2 | 175.4 | 0 | 0 | 0 | 107 | P628 I629 L635 Q638 A697 | P628-I641 HydrophobicContact CB-CD1 4.26Å; P628-I641 HydrophobicContact CG-CD1 4.14Å; I629-I641 HydrophobicContact CG1-CD1 4.48Å; I629-I641 HydrophobicContact CG2-CD1 3.99Å; L635-I641 HydrophobicContact CD1-CB 4.21Å; L635-I641 HydrophobicContact CD1-CG2 4.03Å; Q638-I641 PolarHBondContact NE2-O 2.89Å; I641-A697 HydrophobicContact CG2-CB 3.8Å |
| 642 | R | 94.4 | Very high | 90.4 | Very high | 117 Ų | 117 | 49.4 Ų | 49.4 | 44% | 0.442 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 150.2 | 172.4 | -61.1 | -176.3 | -169.2 | 169.9 | 5.3 | 108.7 | V677 E695 Y696 A697 | R642-V677 HydrophobicContact CB-CG1 4.23Å; R642-E695 PolarHBondContact N-O 3.28Å; R642-Y696 HydrophobicContact CB-CD2 4.24Å; R642-Y696 CarbonylContact O-C 3.54Å; R642-Y696 VanDerWaalsContact O-CA 3.22Å; R642-Y696 WeakPolarHBondContact O-CA 3.48Å; R642-Y696 WeakPolarHBondContact O-CD2 3.44Å; R642-A697 PolarHBondContact O-N 2.9Å |
| 643 | Y | 95.7 | Very high | 90.2 | Very high | 4 Ų | 4 | 50.8 Ų | 50.8 | 2% | 0.016 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 149.8 | 179.2 | 56.3 | -93.5 | 0 | 0 | 0 | 112.3 | L635 M666 Y669 M670 V677 A697 L699 | L635-Y643 HydrophobicContact CD1-CD1 3.83Å; L635-Y643 HydrophobicContact CD1-CG 4.36Å; L635-Y643 HydrophobicContact CD2-CD1 4.08Å; L635-Y643 HydrophobicContact CD2-CG 3.94Å; L635-Y643 HydrophobicContact CG-CD1 3.67Å; L635-Y643 HydrophobicContact CG-CE1 4.2Å; L635-Y643 HydrophobicContact CG-CG 4.07Å; Y643-M666 HydrophobicContact CD2-CE 3.74Å; Y643-M666 HydrophobicContact CE2-CB 3.86Å; Y643-M666 HydrophobicContact CE2-CE 3.55Å; Y643-M666 HydrophobicContact CE2-CG 3.89Å; Y643-M666 HydrophobicContact CG-CE 4.43Å; Y643-Y669 HydrophobicContact CD1-CD1 4.36Å; Y643-Y669 AromaticContact CD1-CE1 3.94Å; Y643-Y669 HydrophobicContact CD1-CE1 3.94Å; Y643-Y669 HydrophobicContact CD2-CD1 4.09Å; Y643-Y669 HydrophobicContact CD2-CE1 4.23Å; Y643-Y669 AromaticContact CE1-CD1 3.77Å; Y643-Y669 HydrophobicContact CE1-CD1 3.77Å; Y643-Y669 AromaticContact CE1-CE1 3.65Å; Y643-Y669 HydrophobicContact CE1-CE1 3.65Å; Y643-Y669 HydrophobicContact CE1-CG 4.41Å; Y643-Y669 AromaticContact CE2-CD1 3.44Å; Y643-Y669 HydrophobicContact CE2-CD1 3.44Å; Y643-Y669 VanDerWaalsContact CE2-CD1 3.44Å; Y643-Y669 AromaticContact CE2-CE1 3.96Å; Y643-Y669 HydrophobicContact CE2-CE1 3.96Å; Y643-Y669 HydrophobicContact CE2-CG 4.27Å; Y643-Y669 HydrophobicContact CG-CE1 4.23Å; Y643-Y669 AromaticContact CZ-CD1 3.25Å; Y643-Y669 AromaticContact CZ-CE1 3.66Å; Y643-Y669 AromaticContact CZ-CG 3.8Å; Y643-Y669 WeakPolarHBondContact OH-CD1 3.36Å; Y643-M670 HydrophobicContact CD2-CG 3.91Å; Y643-M670 HydrophobicContact CD2-SD 4.14Å; Y643-M670 HydrophobicContact CE2-CG 3.95Å; Y643-M670 HydrophobicContact CE2-SD 4.49Å; Y643-M670 WeakPolarHBondContact O-CG 3.23Å; Y643-V677 WeakPolarHBondContact O-CB 3.47Å; Y643-V677 WeakPolarHBondContact O-CG2 3.37Å; Y643-A697 WeakPolarHBondContact CA-O 3.14Å; Y643-A697 WeakPolarHBondContact CB-O 3.41Å; Y643-L699 HydrophobicContact CD2-CD1 4.14Å; Y643-L699 HydrophobicContact CG-CD1 4.31Å |
| 644 | G | 95.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153 | 170.2 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | V677 Y696 A697 F698 L699 | G644-V677 WeakPolarHBondContact CA-O 3.35Å; G644-Y696 WeakPolarHBondContact CA-OH 3.48Å; G644-A697 PolarHBondContact N-O 2.99Å; G644-F698 WeakPolarHBondContact O-CD2 3.05Å; G644-L699 PolarHBondContact O-N 2.96Å |
| 645 | I | 95.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 168.4 | 178.8 | 57.6 | 178.2 | 0 | 0 | 0 | 109.7 | A647 T651 A652 F655 W667 M670 L678 V679 L699 | I645-A647 PolarHBondContact O-N 2.93Å; I645-T651 HydrophobicContact CB-CG2 4.28Å; I645-T651 HydrophobicContact CG2-CG2 3.83Å; I645-A652 VanDerWaalsContact CD1-CA 3.49Å; I645-A652 HydrophobicContact CD1-CB 3.96Å; I645-F655 HydrophobicContact CD1-CB 4.35Å; I645-F655 HydrophobicContact CD1-CD2 3.93Å; I645-F655 HydrophobicContact CD1-CG 4.48Å; I645-F655 HydrophobicContact CG2-CD2 4.08Å; I645-F655 HydrophobicContact CG2-CE2 3.98Å; I645-W667 HydrophobicContact CD1-CE3 4.22Å; I645-W667 HydrophobicContact CD1-CZ3 3.94Å; I645-M670 HydrophobicContact CB-SD 4.33Å; I645-M670 HydrophobicContact CD1-CE 3.91Å; I645-M670 HydrophobicContact CD1-SD 4.24Å; I645-M670 HydrophobicContact CG1-CE 4.21Å; I645-M670 HydrophobicContact CG1-SD 3.86Å; I645-M670 HydrophobicContact CG2-CE 4.29Å; I645-M670 HydrophobicContact CG2-SD 3.9Å; I645-L678 HydrophobicContact CG1-CD2 3.57Å; I645-L678 WeakPolarHBondContact O-CA 3.43Å; I645-V679 PolarHBondContact O-N 2.54Å; I645-V679 VanDerWaalsContact O-N 3.12Å; I645-L699 HydrophobicContact CG2-CB 3.52Å; I645-L699 WeakPolarHBondContact CG2-O 3.45Å |
| 646 | Q | 92.5 | Very high | 90.3 | Very high | 44 Ų | 44 | 53 Ų | 53 | 21% | 0.206 | 27% | 0.27 | C | S | . | . | B | Isolated β-bridge | trans | -60.4 | 132.1 | 165.7 | -169.4 | -179.1 | -0.6 | 0 | 0 | 109.4 | S648 V679 A680 Y682 | Q646-S648 WeakPolarHBondContact CG-O 3.25Å; Q646-S648 PolarHBondContact O-N 2.96Å; Q646-V679 CarbonylContact C-O 3.49Å; Q646-V679 WeakPolarHBondContact CA-O 3.41Å; Q646-A680 VanDerWaalsContact CG-O 3.31Å; Q646-A680 WeakPolarHBondContact CG-O 3.43Å; Q646-A680 PolarHBondContact NE2-O 3.33Å; Q646-Y682 HydrophobicContact CB-CD1 4.36Å; Q646-Y682 HydrophobicContact CB-CE1 4.14Å |
| 647 | A | 85.5 | Confident | 90.1 | Very high | 56 Ų | 56 | 58.2 Ų | 58.2 | 46% | 0.463 | 29% | 0.293 | S | S | . | . | S | Bend | trans | -61 | -29.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | I645 L678 V679 | I645-A647 PolarHBondContact O-N 2.93Å; A647-L678 HydrophobicContact CB-CB 4.2Å; A647-V679 PolarHBondContact N-O 3.14Å |
| 648 | S | 82.8 | Confident | 90.1 | Very high | 72 Ų | 72 | 52 Ų | 52 | 50% | 0.503 | 27% | 0.268 | S | S | . | . | S | Bend | trans | -120.3 | 157.4 | 175.7 | 60 | 0 | 0 | 0 | 0 | 111.1 | Q646 | Q646-S648 WeakPolarHBondContact CG-O 3.25Å; Q646-S648 PolarHBondContact O-N 2.96Å |
| 649 | G | 83.7 | Confident | 90.1 | Very high | 31 Ų | 31 | 59.8 Ų | 59.8 | 32% | 0.32 | 30% | 0.302 | S | S | . | . | S | Bend | trans | 119.7 | -175.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | T651 A652 Q653 | G649-T651 PolarHBondContact O-N 2.93Å; G649-A652 PolarHBondContact O-N 2.91Å; G649-Q653 PolarHBondContact O-N 3Å; G649-Q653 VanDerWaalsContact O-N 3.09Å |
| 650 | S | 85.8 | Confident | 90.3 | Very high | 22 Ų | 22 | 57.4 Ų | 57.4 | 15% | 0.154 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -61.1 | -40.8 | -178.2 | 48.5 | 0 | 0 | 0 | 0 | 112.3 | T480 Q653 F654 E701 | T480-S650 PolarHBondContact OG1-OG 3.42Å; S650-Q653 PolarHBondContact O-N 3.17Å; S650-F654 WeakPolarHBondContact O-CB 3.49Å; S650-F654 PolarHBondContact O-N 3.02Å; S650-E701 PolarHBondContact OG-OE1 3.32Å |
| 651 | T | 90.8 | Very high | 90.4 | Very high | 6 Ų | 6 | 54 Ų | 54 | 4% | 0.037 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -63.8 | -43.3 | 178 | -50.6 | 0 | 0 | 0 | 0 | 112.1 | I500 I645 G649 F654 F655 | I500-T651 HydrophobicContact CD1-CG2 4.01Å; I500-T651 HydrophobicContact CG1-CG2 4.06Å; I500-T651 HydrophobicContact CG2-CG2 4.18Å; I645-T651 HydrophobicContact CB-CG2 4.28Å; I645-T651 HydrophobicContact CG2-CG2 3.83Å; G649-T651 PolarHBondContact O-N 2.93Å; T651-F654 WeakPolarHBondContact O-CB 3.47Å; T651-F654 PolarHBondContact O-N 3.45Å; T651-F655 HydrophobicContact CG2-CD2 4.09Å; T651-F655 HydrophobicContact CG2-CE2 3.94Å; T651-F655 VanDerWaalsContact O-CD2 3.29Å; T651-F655 WeakPolarHBondContact O-CD2 3.44Å; T651-F655 PolarHBondContact O-N 2.99Å; T651-F655 VanDerWaalsContact O-N 3.16Å |
| 652 | A | 90.7 | Very high | 90.5 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 6% | 0.058 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.7 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I645 G649 F654 F655 K656 | I645-A652 VanDerWaalsContact CD1-CA 3.49Å; I645-A652 HydrophobicContact CD1-CB 3.96Å; G649-A652 PolarHBondContact O-N 2.91Å; A652-F654 VanDerWaalsContact C-N 3.33Å; A652-F654 PolarHBondContact O-N 3.09Å; A652-F655 PolarHBondContact O-N 3.01Å; A652-K656 VanDerWaalsContact O-CB 3.3Å; A652-K656 WeakPolarHBondContact O-CB 3.35Å; A652-K656 PolarHBondContact O-N 3.41Å |
| 653 | Q | 87.8 | Confident | 90.5 | Very high | 42 Ų | 42 | 50 Ų | 50 | 20% | 0.196 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -61.8 | -42 | 176.2 | -170.3 | 176.3 | -1.5 | 0 | 0 | 111.7 | G649 S650 F655 K656 E657 | G649-Q653 PolarHBondContact O-N 3Å; G649-Q653 VanDerWaalsContact O-N 3.09Å; S650-Q653 PolarHBondContact O-N 3.17Å; Q653-F655 PolarHBondContact O-N 2.98Å; Q653-K656 PolarHBondContact O-N 3.2Å; Q653-E657 HydrophobicContact CG-CG 4.28Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.25Å; Q653-E657 PolarHBondContact NE2-OE1 2.91Å; Q653-E657 PolarHBondContact NE2-OE2 3.14Å; Q653-E657 WeakPolarHBondContact O-CB 3.5Å; Q653-E657 PolarHBondContact O-N 3.25Å |
| 654 | F | 91.9 | Very high | 90.4 | Very high | 50 Ų | 50 | 55.3 Ų | 55.3 | 22% | 0.219 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -56 | -51.5 | 176.2 | 170.3 | -93.6 | 0 | 0 | 0 | 111.9 | I500 S650 T651 A652 E657 S658 H663 N724 | I500-F654 HydrophobicContact CD1-CB 3.94Å; I500-F654 HydrophobicContact CD1-CD1 3.18Å; I500-F654 HydrophobicContact CD1-CD2 4.24Å; I500-F654 HydrophobicContact CD1-CE1 3.64Å; I500-F654 HydrophobicContact CD1-CG 3.52Å; I500-F654 HydrophobicContact CD1-CZ 4.33Å; S650-F654 WeakPolarHBondContact O-CB 3.49Å; S650-F654 PolarHBondContact O-N 3.02Å; T651-F654 WeakPolarHBondContact O-CB 3.47Å; T651-F654 PolarHBondContact O-N 3.45Å; A652-F654 VanDerWaalsContact C-N 3.33Å; A652-F654 PolarHBondContact O-N 3.09Å; F654-E657 PolarHBondContact O-N 3.31Å; F654-S658 WeakPolarHBondContact O-CA 3.28Å; F654-S658 VanDerWaalsContact O-CB 3.24Å; F654-S658 WeakPolarHBondContact O-CB 3.34Å; F654-S658 PolarHBondContact O-N 2.98Å; F654-H663 AromaticContact CE1-ND1 3.83Å; F654-H663 AromaticContact CZ-CE1 3.71Å; F654-H663 AromaticContact CZ-ND1 3.63Å; F654-N724 HydrophobicContact CE2-CB 3.93Å; F654-N724 HydrophobicContact CZ-CB 4.11Å |
| 655 | F | 93.3 | Very high | 90.3 | Very high | 1 Ų | 1 | 60.3 Ų | 60.3 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -66.6 | -38 | -179.8 | -81.8 | -73.1 | 0 | 0 | 0 | 112.6 | I500 I645 T651 A652 Q653 H663 M666 W667 M670 L699 L723 | I500-F655 HydrophobicContact CD1-CE2 4.27Å; I500-F655 HydrophobicContact CG2-CE2 4.14Å; I500-F655 HydrophobicContact CG2-CZ 4.41Å; I645-F655 HydrophobicContact CD1-CB 4.35Å; I645-F655 HydrophobicContact CD1-CD2 3.93Å; I645-F655 HydrophobicContact CD1-CG 4.48Å; I645-F655 HydrophobicContact CG2-CD2 4.08Å; I645-F655 HydrophobicContact CG2-CE2 3.98Å; T651-F655 HydrophobicContact CG2-CD2 4.09Å; T651-F655 HydrophobicContact CG2-CE2 3.94Å; T651-F655 VanDerWaalsContact O-CD2 3.29Å; T651-F655 WeakPolarHBondContact O-CD2 3.44Å; T651-F655 PolarHBondContact O-N 2.99Å; T651-F655 VanDerWaalsContact O-N 3.16Å; A652-F655 PolarHBondContact O-N 3.01Å; Q653-F655 PolarHBondContact O-N 2.98Å; F655-H663 HydrophobicContact CD1-CB 3.95Å; F655-H663 HydrophobicContact CE1-CB 4.13Å; F655-M666 HydrophobicContact CD1-CB 4.34Å; F655-M666 HydrophobicContact CE1-CB 4.23Å; F655-M666 HydrophobicContact CE1-CE 4.49Å; F655-M666 HydrophobicContact CE1-SD 4.12Å; F655-W667 HydrophobicContact CB-CB 4.15Å; F655-W667 HydrophobicContact CB-CD2 4.45Å; F655-W667 HydrophobicContact CB-CE3 3.95Å; F655-M670 HydrophobicContact CB-CE 4.22Å; F655-M670 HydrophobicContact CD1-CE 4.12Å; F655-M670 HydrophobicContact CD2-CE 4.2Å; F655-M670 HydrophobicContact CG-CE 3.92Å; F655-L699 HydrophobicContact CE1-CD2 4.41Å; F655-L699 HydrophobicContact CE2-CD2 3.96Å; F655-L699 HydrophobicContact CZ-CD2 3.46Å; F655-L699 VanDerWaalsContact CZ-CD2 3.46Å; F655-L723 HydrophobicContact CE1-CD2 4.26Å; F655-L723 HydrophobicContact CZ-CD2 3.7Å |
| 656 | K | 89.9 | Confident | 90.2 | Very high | 139 Ų | 139 | 60.3 Ų | 60.3 | 60% | 0.604 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -65.2 | -38.6 | 178.4 | -175.1 | 180 | 178.7 | -175.6 | 0 | 112.9 | A652 Q653 W667 | A652-K656 VanDerWaalsContact O-CB 3.3Å; A652-K656 WeakPolarHBondContact O-CB 3.35Å; A652-K656 PolarHBondContact O-N 3.41Å; Q653-K656 PolarHBondContact O-N 3.2Å; K656-W667 HydrophobicContact CB-CD2 4.22Å; K656-W667 HydrophobicContact CB-CH2 4.45Å; K656-W667 HydrophobicContact CB-CZ2 3.98Å; K656-W667 HydrophobicContact CD-CZ2 4.18Å; K656-W667 HydrophobicContact CG-CZ2 4Å |
| 657 | E | 87.4 | Confident | 90.3 | Very high | 120 Ų | 120 | 60.4 Ų | 60.4 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -100.9 | -5 | -174.5 | -64.9 | 176.7 | -173 | 0 | 0 | 113.6 | Q653 F654 K659 | Q653-E657 HydrophobicContact CG-CG 4.28Å; Q653-E657 WeakPolarHBondContact CG-OE1 3.25Å; Q653-E657 PolarHBondContact NE2-OE1 2.91Å; Q653-E657 PolarHBondContact NE2-OE2 3.14Å; Q653-E657 WeakPolarHBondContact O-CB 3.5Å; Q653-E657 PolarHBondContact O-N 3.25Å; F654-E657 PolarHBondContact O-N 3.31Å; E657-K659 PolarHBondContact O-N 2.84Å |
| 658 | S | 89.9 | Confident | 90.7 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 14% | 0.14 | 30% | 0.304 | C | S | . | . | trans | -61.3 | 132.9 | -177.6 | -155.3 | 0 | 0 | 0 | 0 | 111.7 | F654 V660 H663 | F654-S658 WeakPolarHBondContact O-CA 3.28Å; F654-S658 VanDerWaalsContact O-CB 3.24Å; F654-S658 WeakPolarHBondContact O-CB 3.34Å; F654-S658 PolarHBondContact O-N 2.98Å; S658-V660 VanDerWaalsContact C-N 3.35Å; S658-H663 WeakPolarHBondContact OG-CB 3.24Å; S658-H663 PolarHBondContact OG-ND1 3.09Å; S658-H663 VanDerWaalsContact OG-ND1 3.16Å | ||
| 659 | K | 90 | Very high | 91.2 | Very high | 207 Ų | 207 | 60.6 Ų | 60.6 | 90% | 0.9 | 29% | 0.286 | S | S | * | . | trans | -87.2 | -7 | 171.7 | -62.6 | -174.9 | -179 | -179.8 | 0 | 113.2 | E657 | E657-K659 PolarHBondContact O-N 2.84Š| ||
| 660 | V | 91.9 | Very high | 91.8 | Very high | 75 Ų | 75 | 59.2 Ų | 59.2 | 46% | 0.455 | 27% | 0.272 | S | S | . | . | S | Bend | trans | -77.4 | 126.2 | 178.3 | 179.6 | 0 | 0 | 0 | 0 | 108.8 | S658 V662 H663 R664 | S658-V660 VanDerWaalsContact C-N 3.35Å; V660-V662 VanDerWaalsContact C-N 3.3Å; V660-V662 HydrophobicContact CG1-CB 4.49Å; V660-V662 PolarHBondContact O-N 3.34Å; V660-H663 HydrophobicContact CB-CB 4.41Å; V660-H663 WeakPolarHBondContact CB-ND1 3.27Å; V660-H663 PolarHBondContact O-N 3.13Å; V660-H663 VanDerWaalsContact O-N 3.15Å; V660-R664 PolarHBondContact O-N 3.43Å |
| 661 | E | 92 | Very high | 92.1 | Very high | 107 Ų | 107 | 62.7 Ų | 62.7 | 50% | 0.5 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -55.1 | -43.7 | -173.6 | -173.6 | 57.3 | -139.5 | 0 | 0 | 112.8 | H663 R664 R665 | E661-H663 PolarHBondContact O-N 3.03Å; E661-R664 PolarHBondContact O-N 2.8Å; E661-R664 IonicContact OE1-CZ 2.84Å; E661-R664 IonicContact OE1-NE 2.65Å; E661-R664 IonicContact OE1-NH2 3.76Å; E661-R664 PolarHBondContact OE1-NH2 3.31Å; E661-R664 IonicContact OE2-CZ 3.3Å; E661-R664 VanDerWaalsContact OE2-CZ 3.31Å; E661-R664 IonicContact OE2-NE 3.81Å; E661-R664 IonicContact OE2-NH2 2.88Å; E661-R664 PolarHBondContact OE2-NH2 2.92Å; E661-R665 WeakPolarHBondContact O-CB 3.32Å; E661-R665 PolarHBondContact O-N 3.36Å |
| 662 | V | 93.5 | Very high | 92.1 | Very high | 31 Ų | 31 | 66.1 Ų | 66.1 | 19% | 0.188 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -59.9 | -47.8 | 179.9 | 179.2 | 0 | 0 | 0 | 0 | 111 | A636 V660 R665 M666 | A636-V662 HydrophobicContact CB-CG1 3.92Å; V660-V662 VanDerWaalsContact C-N 3.3Å; V660-V662 HydrophobicContact CG1-CB 4.49Å; V660-V662 PolarHBondContact O-N 3.34Å; V662-R665 PolarHBondContact O-N 3.4Å; V662-M666 HydrophobicContact CG1-SD 4.33Å; V662-M666 VanDerWaalsContact O-CG 3.3Å; V662-M666 WeakPolarHBondContact O-CG 3.3Å; V662-M666 PolarHBondContact O-N 3.48Å |
| 663 | H | 94.3 | Very high | 92.1 | Very high | 16 Ų | 16 | 68.3 Ų | 68.3 | 7% | 0.074 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.8 | -40.2 | -179.9 | -57.8 | 149.4 | 0 | 0 | 0 | 112.1 | F654 F655 S658 V660 E661 R665 M666 W667 | F654-H663 AromaticContact CE1-ND1 3.83Å; F654-H663 AromaticContact CZ-CE1 3.71Å; F654-H663 AromaticContact CZ-ND1 3.63Å; F655-H663 HydrophobicContact CD1-CB 3.95Å; F655-H663 HydrophobicContact CE1-CB 4.13Å; S658-H663 WeakPolarHBondContact OG-CB 3.24Å; S658-H663 PolarHBondContact OG-ND1 3.09Å; S658-H663 VanDerWaalsContact OG-ND1 3.16Å; V660-H663 HydrophobicContact CB-CB 4.41Å; V660-H663 WeakPolarHBondContact CB-ND1 3.27Å; V660-H663 PolarHBondContact O-N 3.13Å; V660-H663 VanDerWaalsContact O-N 3.15Å; E661-H663 PolarHBondContact O-N 3.03Å; H663-R665 VanDerWaalsContact C-N 3.34Å; H663-R665 PolarHBondContact O-N 2.91Å; H663-M666 WeakPolarHBondContact O-CB 3.13Å; H663-M666 PolarHBondContact O-N 3.2Å; H663-W667 PolarHBondContact O-N 2.84Å |
| 664 | R | 93.2 | Very high | 92 | Very high | 115 Ų | 115 | 72.8 Ų | 72.8 | 43% | 0.434 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62 | -43.3 | 176.1 | -173.2 | -177.3 | 68.4 | 157 | 0.1 | 111.5 | V660 E661 W667 Q668 | V660-R664 PolarHBondContact O-N 3.43Å; E661-R664 PolarHBondContact O-N 2.8Å; E661-R664 IonicContact OE1-CZ 2.84Å; E661-R664 IonicContact OE1-NE 2.65Å; E661-R664 IonicContact OE1-NH2 3.76Å; E661-R664 PolarHBondContact OE1-NH2 3.31Å; E661-R664 IonicContact OE2-CZ 3.3Å; E661-R664 VanDerWaalsContact OE2-CZ 3.31Å; E661-R664 IonicContact OE2-NE 3.81Å; E661-R664 IonicContact OE2-NH2 2.88Å; E661-R664 PolarHBondContact OE2-NH2 2.92Å; R664-W667 WeakPolarHBondContact O-CB 3.29Å; R664-W667 PolarHBondContact O-N 3.23Å; R664-Q668 WeakPolarHBondContact O-CG 3.38Å; R664-Q668 PolarHBondContact O-N 3.21Å |
| 665 | R | 92.9 | Very high | 91.7 | Very high | 105 Ų | 105 | 74.2 Ų | 74.2 | 40% | 0.396 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -62.7 | -42.1 | 174.8 | -176.8 | 178.3 | 64.7 | 178.6 | 0.7 | 111.7 | A636 E661 V662 H663 Q668 Y669 | A636-R665 PolarHBondContact O-NH2 3.23Å; E661-R665 WeakPolarHBondContact O-CB 3.32Å; E661-R665 PolarHBondContact O-N 3.36Å; V662-R665 PolarHBondContact O-N 3.4Å; H663-R665 VanDerWaalsContact C-N 3.34Å; H663-R665 PolarHBondContact O-N 2.91Å; R665-Q668 PolarHBondContact O-N 3.09Å; R665-Y669 WeakPolarHBondContact O-CB 3.4Å; R665-Y669 PolarHBondContact O-N 3.41Å |
| 666 | M | 94.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62.2 | -41.7 | 174.7 | -71.6 | 179.9 | 80.2 | 0 | 0 | 112 | V632 L635 A636 Y643 F655 V662 H663 Y669 M670 L699 | V632-M666 HydrophobicContact CG2-CE 3.95Å; V632-M666 HydrophobicContact CG2-SD 3.41Å; V632-M666 WeakPolarHBondContact CG2-SD 3.47Å; L635-M666 HydrophobicContact CD2-CE 4.09Å; A636-M666 HydrophobicContact CB-CG 3.87Å; A636-M666 HydrophobicContact CB-SD 4.13Å; Y643-M666 HydrophobicContact CD2-CE 3.74Å; Y643-M666 HydrophobicContact CE2-CB 3.86Å; Y643-M666 HydrophobicContact CE2-CE 3.55Å; Y643-M666 HydrophobicContact CE2-CG 3.89Å; Y643-M666 HydrophobicContact CG-CE 4.43Å; F655-M666 HydrophobicContact CD1-CB 4.34Å; F655-M666 HydrophobicContact CE1-CB 4.23Å; F655-M666 HydrophobicContact CE1-CE 4.49Å; F655-M666 HydrophobicContact CE1-SD 4.12Å; V662-M666 HydrophobicContact CG1-SD 4.33Å; V662-M666 VanDerWaalsContact O-CG 3.3Å; V662-M666 WeakPolarHBondContact O-CG 3.3Å; V662-M666 PolarHBondContact O-N 3.48Å; H663-M666 WeakPolarHBondContact O-CB 3.13Å; H663-M666 PolarHBondContact O-N 3.2Å; M666-Y669 WeakPolarHBondContact O-CB 3.26Å; M666-Y669 PolarHBondContact O-N 3.45Å; M666-M670 HydrophobicContact CB-CE 4.46Å; M666-M670 VanDerWaalsContact O-CG 3.31Å; M666-M670 WeakPolarHBondContact O-CG 3.48Å; M666-M670 PolarHBondContact O-N 3.43Å; M666-L699 HydrophobicContact CE-CD1 4.33Å; M666-L699 HydrophobicContact CE-CD2 3.73Å |
| 667 | W | 95.2 | Very high | 91.8 | Very high | 46 Ų | 46 | 70.8 Ų | 70.8 | 17% | 0.174 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -59.6 | -49.4 | 174.5 | 177.8 | -114.1 | 0 | 0 | 0 | 111.6 | I645 F655 K656 H663 R664 Y669 M670 I671 | I645-W667 HydrophobicContact CD1-CE3 4.22Å; I645-W667 HydrophobicContact CD1-CZ3 3.94Å; F655-W667 HydrophobicContact CB-CB 4.15Å; F655-W667 HydrophobicContact CB-CD2 4.45Å; F655-W667 HydrophobicContact CB-CE3 3.95Å; K656-W667 HydrophobicContact CB-CD2 4.22Å; K656-W667 HydrophobicContact CB-CH2 4.45Å; K656-W667 HydrophobicContact CB-CZ2 3.98Å; K656-W667 HydrophobicContact CD-CZ2 4.18Å; K656-W667 HydrophobicContact CG-CZ2 4Å; H663-W667 PolarHBondContact O-N 2.84Å; R664-W667 WeakPolarHBondContact O-CB 3.29Å; R664-W667 PolarHBondContact O-N 3.23Å; W667-Y669 VanDerWaalsContact C-N 3.31Å; W667-Y669 PolarHBondContact O-N 3.44Å; W667-M670 HydrophobicContact CE3-CE 4.24Å; W667-M670 PolarHBondContact O-N 2.89Å; W667-I671 HydrophobicContact CD2-CG2 3.98Å; W667-I671 HydrophobicContact CE3-CG2 4.21Å; W667-I671 HydrophobicContact CH2-CG2 3.85Å; W667-I671 HydrophobicContact CZ2-CG2 3.59Å; W667-I671 HydrophobicContact CZ3-CG2 4.14Å; W667-I671 WeakPolarHBondContact O-CG1 3.45Å; W667-I671 PolarHBondContact O-N 3.21Å |
| 668 | Q | 93.1 | Very high | 92.2 | Very high | 101 Ų | 101 | 66.9 Ų | 66.9 | 47% | 0.472 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -59.7 | -39.6 | 176.7 | -72.6 | 175.9 | -20.8 | 0 | 0 | 112.5 | R664 R665 I671 S672 | R664-Q668 WeakPolarHBondContact O-CG 3.38Å; R664-Q668 PolarHBondContact O-N 3.21Å; R665-Q668 PolarHBondContact O-N 3.09Å; Q668-I671 WeakPolarHBondContact O-CG1 3.42Å; Q668-S672 WeakPolarHBondContact O-CB 3.38Å; Q668-S672 PolarHBondContact O-N 2.95Å; Q668-S672 PolarHBondContact O-OG 3.08Å |
| 669 | Y | 94.4 | Very high | 92.3 | Very high | 32 Ų | 32 | 66.3 Ų | 66.3 | 13% | 0.125 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.5 | -53.6 | 172.3 | 172.6 | -91.1 | 0 | 0 | 0 | 110.6 | Y643 R665 M666 W667 I671 S672 Q673 | Y643-Y669 HydrophobicContact CD1-CD1 4.36Å; Y643-Y669 AromaticContact CD1-CE1 3.94Å; Y643-Y669 HydrophobicContact CD1-CE1 3.94Å; Y643-Y669 HydrophobicContact CD2-CD1 4.09Å; Y643-Y669 HydrophobicContact CD2-CE1 4.23Å; Y643-Y669 AromaticContact CE1-CD1 3.77Å; Y643-Y669 HydrophobicContact CE1-CD1 3.77Å; Y643-Y669 AromaticContact CE1-CE1 3.65Å; Y643-Y669 HydrophobicContact CE1-CE1 3.65Å; Y643-Y669 HydrophobicContact CE1-CG 4.41Å; Y643-Y669 AromaticContact CE2-CD1 3.44Å; Y643-Y669 HydrophobicContact CE2-CD1 3.44Å; Y643-Y669 VanDerWaalsContact CE2-CD1 3.44Å; Y643-Y669 AromaticContact CE2-CE1 3.96Å; Y643-Y669 HydrophobicContact CE2-CE1 3.96Å; Y643-Y669 HydrophobicContact CE2-CG 4.27Å; Y643-Y669 HydrophobicContact CG-CE1 4.23Å; Y643-Y669 AromaticContact CZ-CD1 3.25Å; Y643-Y669 AromaticContact CZ-CE1 3.66Å; Y643-Y669 AromaticContact CZ-CG 3.8Å; Y643-Y669 WeakPolarHBondContact OH-CD1 3.36Å; R665-Y669 WeakPolarHBondContact O-CB 3.4Å; R665-Y669 PolarHBondContact O-N 3.41Å; M666-Y669 WeakPolarHBondContact O-CB 3.26Å; M666-Y669 PolarHBondContact O-N 3.45Å; W667-Y669 VanDerWaalsContact C-N 3.31Å; W667-Y669 PolarHBondContact O-N 3.44Å; Y669-I671 VanDerWaalsContact C-N 3.34Å; Y669-I671 PolarHBondContact O-N 3.23Å; Y669-S672 PolarHBondContact O-N 3.42Å; Y669-S672 VanDerWaalsContact O-N 3.11Å; Y669-S672 PolarHBondContact O-OG 2.89Å; Y669-Q673 HydrophobicContact CD1-CG 4.08Å; Y669-Q673 HydrophobicContact CD2-CG 4.41Å; Y669-Q673 HydrophobicContact CE1-CG 3.68Å; Y669-Q673 VanDerWaalsContact CE2-CD 3.47Å; Y669-Q673 HydrophobicContact CE2-CG 4.05Å; Y669-Q673 VanDerWaalsContact CE2-NE2 3.25Å; Y669-Q673 HydrophobicContact CG-CG 4.43Å; Y669-Q673 VanDerWaalsContact CZ-CD 3.5Å; Y669-Q673 WeakPolarHBondContact O-CG 3.46Å; Y669-Q673 PolarHBondContact O-N 3.48Å |
| 670 | M | 94.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.01 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -60.1 | -39.6 | -175.1 | -72.6 | -175.5 | -70.9 | 0 | 0 | 113.3 | Y643 I645 F655 M666 W667 V677 L678 | Y643-M670 HydrophobicContact CD2-CG 3.91Å; Y643-M670 HydrophobicContact CD2-SD 4.14Å; Y643-M670 HydrophobicContact CE2-CG 3.95Å; Y643-M670 HydrophobicContact CE2-SD 4.49Å; Y643-M670 WeakPolarHBondContact O-CG 3.23Å; I645-M670 HydrophobicContact CB-SD 4.33Å; I645-M670 HydrophobicContact CD1-CE 3.91Å; I645-M670 HydrophobicContact CD1-SD 4.24Å; I645-M670 HydrophobicContact CG1-CE 4.21Å; I645-M670 HydrophobicContact CG1-SD 3.86Å; I645-M670 HydrophobicContact CG2-CE 4.29Å; I645-M670 HydrophobicContact CG2-SD 3.9Å; F655-M670 HydrophobicContact CB-CE 4.22Å; F655-M670 HydrophobicContact CD1-CE 4.12Å; F655-M670 HydrophobicContact CD2-CE 4.2Å; F655-M670 HydrophobicContact CG-CE 3.92Å; M666-M670 HydrophobicContact CB-CE 4.46Å; M666-M670 VanDerWaalsContact O-CG 3.31Å; M666-M670 WeakPolarHBondContact O-CG 3.48Å; M666-M670 PolarHBondContact O-N 3.43Å; W667-M670 HydrophobicContact CE3-CE 4.24Å; W667-M670 PolarHBondContact O-N 2.89Å; M670-V677 HydrophobicContact CB-CG2 3.94Å; M670-V677 HydrophobicContact CG-CG2 4.06Å; M670-V677 WeakPolarHBondContact O-CG2 3.24Å; M670-L678 HydrophobicContact CB-CD2 4.14Å |
| 671 | I | 92.7 | Very high | 92 | Very high | 95 Ų | 95 | 60 Ų | 60 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -76.3 | -20.8 | 179.2 | 66.3 | 179.5 | 0 | 0 | 0 | 113.7 | W667 Q668 Y669 | W667-I671 HydrophobicContact CD2-CG2 3.98Å; W667-I671 HydrophobicContact CE3-CG2 4.21Å; W667-I671 HydrophobicContact CH2-CG2 3.85Å; W667-I671 HydrophobicContact CZ2-CG2 3.59Å; W667-I671 HydrophobicContact CZ3-CG2 4.14Å; W667-I671 WeakPolarHBondContact O-CG1 3.45Å; W667-I671 PolarHBondContact O-N 3.21Å; Q668-I671 WeakPolarHBondContact O-CG1 3.42Å; Y669-I671 VanDerWaalsContact C-N 3.34Å; Y669-I671 PolarHBondContact O-N 3.23Å |
| 672 | S | 91.1 | Very high | 91.9 | Very high | 77 Ų | 77 | 57.2 Ų | 57.2 | 54% | 0.538 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -94.6 | -11.7 | -178 | 58.4 | 0 | 0 | 0 | 0 | 113.6 | Q668 Y669 | Q668-S672 WeakPolarHBondContact O-CB 3.38Å; Q668-S672 PolarHBondContact O-N 2.95Å; Q668-S672 PolarHBondContact O-OG 3.08Å; Y669-S672 PolarHBondContact O-N 3.42Å; Y669-S672 VanDerWaalsContact O-N 3.11Å; Y669-S672 PolarHBondContact O-OG 2.89Å |
| 673 | Q | 89.6 | Confident | 91.8 | Very high | 54 Ų | 54 | 59 Ų | 59 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | trans | -70.6 | 134.1 | -179.8 | -69.8 | -45.2 | -71.7 | 0 | 0 | 112.8 | Y669 P675 V677 | Y669-Q673 HydrophobicContact CD1-CG 4.08Å; Y669-Q673 HydrophobicContact CD2-CG 4.41Å; Y669-Q673 HydrophobicContact CE1-CG 3.68Å; Y669-Q673 VanDerWaalsContact CE2-CD 3.47Å; Y669-Q673 HydrophobicContact CE2-CG 4.05Å; Y669-Q673 VanDerWaalsContact CE2-NE2 3.25Å; Y669-Q673 HydrophobicContact CG-CG 4.43Å; Y669-Q673 VanDerWaalsContact CZ-CD 3.5Å; Y669-Q673 WeakPolarHBondContact O-CG 3.46Å; Y669-Q673 PolarHBondContact O-N 3.48Å; Q673-P675 CarbonylContact O-C 3.54Å; Q673-V677 HydrophobicContact CB-CG1 3.79Å; Q673-V677 HydrophobicContact CB-CG2 4.08Å; Q673-V677 HydrophobicContact CG-CG1 3.89Å; Q673-V677 HydrophobicContact CG-CG2 4.2Å | ||
| 674 | T | 85.7 | Confident | 91.7 | Very high | 135 Ų | 135 | 61.3 Ų | 61.3 | 83% | 0.828 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -128.4 | 121 | 170.3 | -53 | 0 | 0 | 0 | 0 | 109 | ||
| 675 | P | 87 | Confident | 91.8 | Very high | 81 Ų | 81 | 55.8 Ų | 55.8 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | S | Bend | cis | -68.3 | 157 | 1.2 | 30.4 | -35.9 | 0 | 0 | 0 | 112.7 | Q673 V677 | Q673-P675 CarbonylContact O-C 3.54Å; P675-V677 PolarHBondContact O-N 2.85Å |
| 676 | S | 91.8 | Very high | 91.9 | Very high | 67 Ų | 67 | 52 Ų | 52 | 47% | 0.469 | 30% | 0.302 | S | S | . | . | trans | -53.1 | 131.1 | -177.5 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | L678 R688 | S676-L678 PolarHBondContact OG-N 2.91Å; S676-L678 VanDerWaalsContact OG-N 3.15Å; S676-R688 PolarHBondContact O-NH1 3.46Å; S676-R688 PolarHBondContact O-NH2 2.85Å; S676-R688 VanDerWaalsContact O-NH2 3.13Å | ||
| 677 | V | 93.5 | Very high | 91.9 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.321 | C | S | . | . | trans | -86.1 | -14.8 | 170.6 | -66.1 | 0 | 0 | 0 | 0 | 111.9 | R642 Y643 G644 M670 Q673 P675 Y696 | R642-V677 HydrophobicContact CB-CG1 4.23Å; Y643-V677 WeakPolarHBondContact O-CB 3.47Å; Y643-V677 WeakPolarHBondContact O-CG2 3.37Å; G644-V677 WeakPolarHBondContact CA-O 3.35Å; M670-V677 HydrophobicContact CB-CG2 3.94Å; M670-V677 HydrophobicContact CG-CG2 4.06Å; M670-V677 WeakPolarHBondContact O-CG2 3.24Å; Q673-V677 HydrophobicContact CB-CG1 3.79Å; Q673-V677 HydrophobicContact CB-CG2 4.08Å; Q673-V677 HydrophobicContact CG-CG1 3.89Å; Q673-V677 HydrophobicContact CG-CG2 4.2Å; P675-V677 PolarHBondContact O-N 2.85Å; V677-Y696 HydrophobicContact CB-CE2 4.26Å; V677-Y696 PolarHBondContact O-OH 3.12Å | ||
| 678 | L | 94.7 | Very high | 91.9 | Very high | 39 Ų | 39 | 57.8 Ų | 57.8 | 20% | 0.204 | 32% | 0.324 | C | S | . | . | trans | -75.2 | 145.1 | 178 | -55.8 | 177.9 | 0 | 0 | 0 | 111 | I645 A647 M670 S676 | I645-L678 HydrophobicContact CG1-CD2 3.57Å; I645-L678 WeakPolarHBondContact O-CA 3.43Å; A647-L678 HydrophobicContact CB-CB 4.2Å; M670-L678 HydrophobicContact CB-CD2 4.14Å; S676-L678 PolarHBondContact OG-N 2.91Å; S676-L678 VanDerWaalsContact OG-N 3.15Å | ||
| 679 | V | 93 | Very high | 92 | Very high | 8 Ų | 8 | 53 Ų | 53 | 5% | 0.048 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -119.4 | 158.9 | 179.6 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | I645 Q646 A647 D681 E684 F698 | I645-V679 PolarHBondContact O-N 2.54Å; I645-V679 VanDerWaalsContact O-N 3.12Å; Q646-V679 CarbonylContact C-O 3.49Å; Q646-V679 WeakPolarHBondContact CA-O 3.41Å; A647-V679 PolarHBondContact N-O 3.14Å; V679-D681 WeakPolarHBondContact CG2-O 2.94Å; V679-E684 HydrophobicContact CB-CB 4.19Å; V679-E684 HydrophobicContact CB-CG 3.96Å; V679-E684 HydrophobicContact CG1-CG 4Å; V679-F698 HydrophobicContact CG2-CD2 4.29Å; V679-F698 HydrophobicContact CG2-CE2 3.35Å; V679-F698 HydrophobicContact CG2-CZ 3.63Å |
| 680 | A | 87.7 | Confident | 92 | Very high | 74 Ų | 74 | 54.3 Ų | 54.3 | 61% | 0.612 | 31% | 0.306 | S | S | * | . | S | Bend | trans | -76 | -41.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q646 | Q646-A680 VanDerWaalsContact CG-O 3.31Å; Q646-A680 WeakPolarHBondContact CG-O 3.43Å; Q646-A680 PolarHBondContact NE2-O 3.33Å |
| 681 | D | 87.1 | Confident | 91.9 | Very high | 75 Ų | 75 | 60.2 Ų | 60.2 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -142.5 | 174.8 | -178 | 62.5 | 43.8 | 0 | 0 | 0 | 112.1 | V679 A683 E684 G685 | V679-D681 WeakPolarHBondContact CG2-O 2.94Å; D681-A683 WeakPolarHBondContact OD1-CA 3.43Å; D681-A683 WeakPolarHBondContact OD1-CB 3.43Å; D681-A683 PolarHBondContact OD1-N 3.44Å; D681-E684 WeakPolarHBondContact OD1-CB 3.38Å; D681-E684 PolarHBondContact OD1-N 2.88Å; D681-G685 PolarHBondContact O-N 3.25Å |
| 682 | Y | 90.9 | Very high | 91.8 | Very high | 48 Ų | 48 | 56.9 Ų | 56.9 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.1 | -31.3 | 179.3 | -73.7 | -4.1 | 0 | 0 | 0 | 113.1 | Q646 G685 I686 F698 L700 A704 | Q646-Y682 HydrophobicContact CB-CD1 4.36Å; Q646-Y682 HydrophobicContact CB-CE1 4.14Å; Y682-G685 PolarHBondContact O-N 3.02Å; Y682-I686 WeakPolarHBondContact O-CB 3.4Å; Y682-I686 WeakPolarHBondContact O-CD1 3.33Å; Y682-I686 WeakPolarHBondContact O-CG1 3.2Å; Y682-I686 PolarHBondContact O-N 2.89Å; Y682-F698 HydrophobicContact CD1-CE1 4Å; Y682-F698 AromaticContact CD1-CZ 3.89Å; Y682-F698 HydrophobicContact CD1-CZ 3.89Å; Y682-F698 HydrophobicContact CE1-CZ 4.39Å; Y682-L700 HydrophobicContact CD1-CB 4.48Å; Y682-L700 HydrophobicContact CE1-CB 4.03Å; Y682-A704 HydrophobicContact CD2-CB 3.83Å; Y682-A704 HydrophobicContact CE2-CB 3.73Å |
| 683 | A | 90.9 | Very high | 91.6 | Very high | 69 Ų | 69 | 62 Ų | 62 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -64.5 | -42.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D681 R687 | D681-A683 WeakPolarHBondContact OD1-CA 3.43Å; D681-A683 WeakPolarHBondContact OD1-CB 3.43Å; D681-A683 PolarHBondContact OD1-N 3.44Å; A683-R687 WeakPolarHBondContact O-CB 3.46Å; A683-R687 PolarHBondContact O-N 3.28Å |
| 684 | E | 93.1 | Very high | 91.5 | Very high | 64 Ų | 64 | 61 Ų | 61 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 173 | -174.7 | 61.3 | -153.7 | 0 | 0 | 111.7 | V679 D681 I686 R687 R688 | V679-E684 HydrophobicContact CB-CB 4.19Å; V679-E684 HydrophobicContact CB-CG 3.96Å; V679-E684 HydrophobicContact CG1-CG 4Å; D681-E684 WeakPolarHBondContact OD1-CB 3.38Å; D681-E684 PolarHBondContact OD1-N 2.88Å; E684-I686 PolarHBondContact O-N 3.09Å; E684-R687 PolarHBondContact O-N 3.23Å; E684-R687 IonicContact OE1-CZ 2.76Å; E684-R687 IonicContact OE1-NH2 2.87Å; E684-R687 PolarHBondContact OE1-NH2 3.37Å; E684-R687 IonicContact OE2-CZ 2.82Å; E684-R687 IonicContact OE2-NH1 2.95Å; E684-R687 PolarHBondContact OE2-NH1 2.99Å; E684-R687 IonicContact OE2-NH2 3.2Å; E684-R687 PolarHBondContact OE2-NH2 2.93Å; E684-R688 WeakPolarHBondContact O-CB 3.37Å; E684-R688 PolarHBondContact O-N 3.08Å |
| 685 | G | 94.1 | Very high | 91.8 | Very high | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -60.7 | -45.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | D681 Y682 R688 V689 | D681-G685 PolarHBondContact O-N 3.25Å; Y682-G685 PolarHBondContact O-N 3.02Å; G685-R688 PolarHBondContact O-N 3.02Å; G685-V689 WeakPolarHBondContact O-CG2 3.47Å; G685-V689 PolarHBondContact O-N 2.73Å; G685-V689 VanDerWaalsContact O-N 3.12Å |
| 686 | I | 94.7 | Very high | 92.2 | Very high | 26 Ų | 26 | 57.2 Ų | 57.2 | 13% | 0.133 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -63.9 | -45.8 | 177.2 | -67.2 | 162.8 | 0 | 0 | 0 | 110.4 | M503 Y682 E684 R688 V689 R690 A708 | M503-I686 HydrophobicContact CE-CG1 4.02Å; M503-I686 HydrophobicContact SD-CG1 4.04Å; Y682-I686 WeakPolarHBondContact O-CB 3.4Å; Y682-I686 WeakPolarHBondContact O-CD1 3.33Å; Y682-I686 WeakPolarHBondContact O-CG1 3.2Å; Y682-I686 PolarHBondContact O-N 2.89Å; E684-I686 PolarHBondContact O-N 3.09Å; I686-R688 VanDerWaalsContact C-N 3.32Å; I686-R688 PolarHBondContact O-N 3.32Å; I686-V689 PolarHBondContact O-N 3.13Å; I686-R690 WeakPolarHBondContact O-CG 3.47Å; I686-R690 PolarHBondContact O-N 3.35Å; I686-R690 VanDerWaalsContact O-N 3.14Å; I686-A708 HydrophobicContact CD1-CB 3.83Å; I686-A708 HydrophobicContact CG1-CB 4.3Å; I686-A708 HydrophobicContact CG2-CB 4.41Å |
| 687 | R | 94.2 | Very high | 92.4 | Very high | 107 Ų | 107 | 54 Ų | 54 | 40% | 0.404 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -59.9 | -43.9 | 177.6 | -169.7 | 176.3 | 77.9 | -111.5 | 0.6 | 111.3 | A683 E684 V689 R690 E691 | A683-R687 WeakPolarHBondContact O-CB 3.46Å; A683-R687 PolarHBondContact O-N 3.28Å; E684-R687 PolarHBondContact O-N 3.23Å; E684-R687 IonicContact OE1-CZ 2.76Å; E684-R687 IonicContact OE1-NH2 2.87Å; E684-R687 PolarHBondContact OE1-NH2 3.37Å; E684-R687 IonicContact OE2-CZ 2.82Å; E684-R687 IonicContact OE2-NH1 2.95Å; E684-R687 PolarHBondContact OE2-NH1 2.99Å; E684-R687 IonicContact OE2-NH2 3.2Å; E684-R687 PolarHBondContact OE2-NH2 2.93Å; R687-V689 PolarHBondContact O-N 2.87Å; R687-R690 WeakPolarHBondContact O-CB 3.4Å; R687-R690 PolarHBondContact O-N 2.96Å; R687-R690 VanDerWaalsContact O-N 3.14Å; R687-E691 WeakPolarHBondContact CD-OE1 3.5Å; R687-E691 HydrophobicContact CG-CG 4.32Å; R687-E691 VanDerWaalsContact CG-OE1 3.22Å; R687-E691 WeakPolarHBondContact CG-OE1 3.34Å; R687-E691 IonicContact NE-OE1 2.74Å; R687-E691 WeakPolarHBondContact O-CG 3.26Å; R687-E691 PolarHBondContact O-N 3.48Å |
| 688 | R | 95.3 | Very high | 92.5 | Very high | 60 Ų | 60 | 54 Ų | 54 | 23% | 0.226 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60 | -41.8 | 178 | -169 | 173.5 | -180 | 168.7 | 3.2 | 112.5 | S676 E684 G685 I686 E691 S692 Y696 | S676-R688 PolarHBondContact O-NH1 3.46Å; S676-R688 PolarHBondContact O-NH2 2.85Å; S676-R688 VanDerWaalsContact O-NH2 3.13Å; E684-R688 WeakPolarHBondContact O-CB 3.37Å; E684-R688 PolarHBondContact O-N 3.08Å; G685-R688 PolarHBondContact O-N 3.02Å; I686-R688 VanDerWaalsContact C-N 3.32Å; I686-R688 PolarHBondContact O-N 3.32Å; R688-E691 PolarHBondContact O-N 2.91Å; R688-S692 WeakPolarHBondContact O-CB 3.41Å; R688-S692 PolarHBondContact O-N 3.38Å; R688-S692 PolarHBondContact O-OG 2.84Å; R688-Y696 HydrophobicContact CB-CD1 4.06Å; R688-Y696 HydrophobicContact CB-CE1 4.03Å; R688-Y696 HydrophobicContact CG-CD1 3.65Å; R688-Y696 HydrophobicContact CG-CE1 3.84Å; R688-Y696 HydrophobicContact CG-CG 4.1Å |
| 689 | V | 95.6 | Very high | 92.6 | Very high | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.8 | 173.7 | 0 | 0 | 0 | 0 | 111.7 | M503 I504 K505 G685 I686 R687 S692 Y696 F698 T716 | M503-V689 HydrophobicContact CG-CG1 4.16Å; M503-V689 HydrophobicContact CG-CG2 4.43Å; M503-V689 HydrophobicContact SD-CB 4.4Å; M503-V689 HydrophobicContact SD-CG1 4.44Å; M503-V689 HydrophobicContact SD-CG2 4.32Å; I504-V689 VanDerWaalsContact C-CG1 3.44Å; K505-V689 HydrophobicContact CB-CG1 4.28Å; K505-V689 VanDerWaalsContact N-CG1 3.26Å; G685-V689 WeakPolarHBondContact O-CG2 3.47Å; G685-V689 PolarHBondContact O-N 2.73Å; G685-V689 VanDerWaalsContact O-N 3.12Å; I686-V689 PolarHBondContact O-N 3.13Å; R687-V689 PolarHBondContact O-N 2.87Å; V689-S692 PolarHBondContact O-OG 3.38Å; V689-Y696 HydrophobicContact CG2-CD1 3.72Å; V689-Y696 HydrophobicContact CG2-CE1 4.06Å; V689-F698 HydrophobicContact CG2-CB 3.4Å; V689-F698 VanDerWaalsContact CG2-CB 3.4Å; V689-T716 HydrophobicContact CG1-CG2 4.13Å |
| 690 | R | 93.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 51.8 Ų | 51.8 | 22% | 0.223 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -65.5 | -40.1 | -179.8 | -68.5 | 177.9 | 170.7 | 158.2 | 1 | 112.1 | K505 I686 R687 A708 D715 T716 | K505-R690 PolarHBondContact NZ-O 3.48Å; I686-R690 WeakPolarHBondContact O-CG 3.47Å; I686-R690 PolarHBondContact O-N 3.35Å; I686-R690 VanDerWaalsContact O-N 3.14Å; R687-R690 WeakPolarHBondContact O-CB 3.4Å; R687-R690 PolarHBondContact O-N 2.96Å; R687-R690 VanDerWaalsContact O-N 3.14Å; R690-A708 PolarHBondContact NH2-O 2.88Å; R690-D715 WeakPolarHBondContact CG-OD1 3.5Å; R690-D715 IonicContact NE-OD1 3.73Å; R690-D715 PolarHBondContact NE-OD1 3.41Å; R690-T716 HydrophobicContact CG-CG2 3.81Å |
| 691 | E | 93.3 | Very high | 93 | Very high | 127 Ų | 127 | 48.6 Ų | 48.6 | 59% | 0.593 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -83.1 | -25.8 | -176.2 | -69.5 | 174.1 | 179.5 | 0 | 0 | 113.3 | R687 R688 K693 | R687-E691 WeakPolarHBondContact CD-OE1 3.5Å; R687-E691 HydrophobicContact CG-CG 4.32Å; R687-E691 VanDerWaalsContact CG-OE1 3.22Å; R687-E691 WeakPolarHBondContact CG-OE1 3.34Å; R687-E691 IonicContact NE-OE1 2.74Å; R687-E691 WeakPolarHBondContact O-CG 3.26Å; R687-E691 PolarHBondContact O-N 3.48Å; R688-E691 PolarHBondContact O-N 2.91Å; E691-K693 PolarHBondContact O-N 3.45Å; E691-K693 VanDerWaalsContact O-N 3.08Å |
| 692 | S | 90.9 | Very high | 93.3 | Very high | 24 Ų | 24 | 45.1 Ų | 45.1 | 17% | 0.168 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 7.6 | -173.5 | 68.3 | 0 | 0 | 0 | 0 | 115.7 | R688 V689 G694 E695 Y696 | R688-S692 WeakPolarHBondContact O-CB 3.41Å; R688-S692 PolarHBondContact O-N 3.38Å; R688-S692 PolarHBondContact O-OG 2.84Å; V689-S692 PolarHBondContact O-OG 3.38Å; S692-G694 PolarHBondContact O-N 2.89Å; S692-E695 WeakPolarHBondContact O-CB 2.98Å; S692-E695 PolarHBondContact O-N 2.95Å; S692-Y696 WeakPolarHBondContact OG-CB 3.41Å; S692-Y696 PolarHBondContact OG-N 3.48Å |
| 693 | K | 87.2 | Confident | 93.4 | Very high | 186 Ų | 186 | 43.1 Ų | 43.1 | 81% | 0.809 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 37.4 | 179.6 | -57.2 | -176 | -179.8 | -179.8 | 0 | 114.3 | E691 | E691-K693 PolarHBondContact O-N 3.45Å; E691-K693 VanDerWaalsContact O-N 3.08Å |
| 694 | G | 87.3 | Confident | 93.5 | Very high | 31 Ų | 31 | 40.6 Ų | 40.6 | 32% | 0.32 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.6 | 2.6 | 180 | 0 | 0 | 0 | 0 | 0 | 116.4 | S692 | S692-G694 PolarHBondContact O-N 2.89Š|
| 695 | E | 91.5 | Very high | 93.6 | Very high | 132 Ų | 132 | 37.6 Ų | 37.6 | 62% | 0.617 | 18% | 0.178 | S | C | * | . | S | Bend | trans | -89.5 | -1.2 | 179 | -59.2 | -172.7 | 154.4 | 0 | 0 | 114.4 | R642 S692 | R642-E695 PolarHBondContact N-O 3.28Å; S692-E695 WeakPolarHBondContact O-CB 2.98Å; S692-E695 PolarHBondContact O-N 2.95Å |
| 696 | Y | 95.2 | Very high | 93.5 | Very high | 6 Ų | 6 | 40.1 Ų | 40.1 | 2% | 0.024 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 133.4 | 178.1 | -177.9 | -104.9 | 0 | 0 | 0 | 110.9 | R642 G644 V677 R688 V689 S692 F698 | R642-Y696 HydrophobicContact CB-CD2 4.24Å; R642-Y696 CarbonylContact O-C 3.54Å; R642-Y696 VanDerWaalsContact O-CA 3.22Å; R642-Y696 WeakPolarHBondContact O-CA 3.48Å; R642-Y696 WeakPolarHBondContact O-CD2 3.44Å; G644-Y696 WeakPolarHBondContact CA-OH 3.48Å; V677-Y696 HydrophobicContact CB-CE2 4.26Å; V677-Y696 PolarHBondContact O-OH 3.12Å; R688-Y696 HydrophobicContact CB-CD1 4.06Å; R688-Y696 HydrophobicContact CB-CE1 4.03Å; R688-Y696 HydrophobicContact CG-CD1 3.65Å; R688-Y696 HydrophobicContact CG-CE1 3.84Å; R688-Y696 HydrophobicContact CG-CG 4.1Å; V689-Y696 HydrophobicContact CG2-CD1 3.72Å; V689-Y696 HydrophobicContact CG2-CE1 4.06Å; S692-Y696 WeakPolarHBondContact OG-CB 3.41Å; S692-Y696 PolarHBondContact OG-N 3.48Å; Y696-F698 HydrophobicContact CE1-CB 3.91Å; Y696-F698 HydrophobicContact CE1-CD2 4.34Å; Y696-F698 HydrophobicContact CE1-CG 4.46Å |
| 697 | A | 95.6 | Very high | 93.4 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 135.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | I502 M503 I504 L635 I641 R642 Y643 G644 | I502-A697 HydrophobicContact CG2-CB 4.04Å; M503-A697 WeakPolarHBondContact O-CA 3.33Å; I504-A697 HydrophobicContact CG2-CB 3.93Å; L635-A697 HydrophobicContact CD1-CB 4.02Å; L635-A697 HydrophobicContact CD2-CB 4.26Å; I641-A697 HydrophobicContact CG2-CB 3.8Å; R642-A697 PolarHBondContact O-N 2.9Å; Y643-A697 WeakPolarHBondContact CA-O 3.14Å; Y643-A697 WeakPolarHBondContact CB-O 3.41Å; G644-A697 PolarHBondContact N-O 2.99Å |
| 698 | F | 97.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 124.2 | 179.4 | -173.9 | -133.6 | 0 | 0 | 0 | 110.3 | M503 G644 V679 Y682 V689 Y696 L700 | M503-F698 HydrophobicContact CB-CB 4.43Å; M503-F698 WeakPolarHBondContact CB-O 3.42Å; M503-F698 PolarHBondContact N-O 3.3Å; M503-F698 PolarHBondContact O-N 3.01Å; G644-F698 WeakPolarHBondContact O-CD2 3.05Å; V679-F698 HydrophobicContact CG2-CD2 4.29Å; V679-F698 HydrophobicContact CG2-CE2 3.35Å; V679-F698 HydrophobicContact CG2-CZ 3.63Å; Y682-F698 HydrophobicContact CD1-CE1 4Å; Y682-F698 AromaticContact CD1-CZ 3.89Å; Y682-F698 HydrophobicContact CD1-CZ 3.89Å; Y682-F698 HydrophobicContact CE1-CZ 4.39Å; V689-F698 HydrophobicContact CG2-CB 3.4Å; V689-F698 VanDerWaalsContact CG2-CB 3.4Å; Y696-F698 HydrophobicContact CE1-CB 3.91Å; Y696-F698 HydrophobicContact CE1-CD2 4.34Å; Y696-F698 HydrophobicContact CE1-CG 4.46Å; F698-L700 HydrophobicContact CD1-CB 4.09Å; F698-L700 HydrophobicContact CD1-CD1 3.86Å; F698-L700 HydrophobicContact CD1-CD2 3.97Å; F698-L700 HydrophobicContact CD1-CG 4.18Å; F698-L700 HydrophobicContact CE1-CB 3.81Å; F698-L700 HydrophobicContact CE1-CD1 3.77Å; F698-L700 HydrophobicContact CE1-CG 4.22Å; F698-L700 HydrophobicContact CZ-CB 4.33Å; F698-L700 WeakPolarHBondContact O-CD2 3.42Å |
| 699 | L | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 117.4 | 176.9 | -71.2 | 90.4 | 0 | 0 | 0 | 109.2 | I500 S501 I502 L635 Y643 G644 I645 F655 M666 L723 | I500-L699 HydrophobicContact CG2-CB 4.31Å; I500-L699 HydrophobicContact CG2-CD2 4.42Å; S501-L699 WeakPolarHBondContact O-CA 3.44Å; I502-L699 HydrophobicContact CG1-CD2 4.44Å; I502-L699 HydrophobicContact CG1-CG 4.33Å; L635-L699 HydrophobicContact CD2-CD1 4.06Å; Y643-L699 HydrophobicContact CD2-CD1 4.14Å; Y643-L699 HydrophobicContact CG-CD1 4.31Å; G644-L699 PolarHBondContact O-N 2.96Å; I645-L699 HydrophobicContact CG2-CB 3.52Å; I645-L699 WeakPolarHBondContact CG2-O 3.45Å; F655-L699 HydrophobicContact CE1-CD2 4.41Å; F655-L699 HydrophobicContact CE2-CD2 3.96Å; F655-L699 HydrophobicContact CZ-CD2 3.46Å; F655-L699 VanDerWaalsContact CZ-CD2 3.46Å; M666-L699 HydrophobicContact CE-CD1 4.33Å; M666-L699 HydrophobicContact CE-CD2 3.73Å; L699-L723 HydrophobicContact CD2-CD2 4.04Å |
| 700 | L | 94.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 168.2 | -176.7 | 76.8 | 172.3 | 0 | 0 | 0 | 110.7 | S501 M503 Y682 F698 A702 A704 N705 | S501-L700 PolarHBondContact N-O 2.85Å; S501-L700 PolarHBondContact O-N 3.31Å; S501-L700 VanDerWaalsContact O-N 3.1Å; S501-L700 PolarHBondContact OG-O 3.38Å; M503-L700 HydrophobicContact CB-CD2 3.63Å; M503-L700 HydrophobicContact CE-CD1 4.04Å; M503-L700 HydrophobicContact CE-CD2 4.17Å; Y682-L700 HydrophobicContact CD1-CB 4.48Å; Y682-L700 HydrophobicContact CE1-CB 4.03Å; F698-L700 HydrophobicContact CD1-CB 4.09Å; F698-L700 HydrophobicContact CD1-CD1 3.86Å; F698-L700 HydrophobicContact CD1-CD2 3.97Å; F698-L700 HydrophobicContact CD1-CG 4.18Å; F698-L700 HydrophobicContact CE1-CB 3.81Å; F698-L700 HydrophobicContact CE1-CD1 3.77Å; F698-L700 HydrophobicContact CE1-CG 4.22Å; F698-L700 HydrophobicContact CZ-CB 4.33Å; F698-L700 WeakPolarHBondContact O-CD2 3.42Å; L700-A702 PolarHBondContact O-N 3.43Å; L700-A704 HydrophobicContact CD1-CB 3.96Å; L700-N705 HydrophobicContact CD1-CB 4.46Å; L700-N705 HydrophobicContact CD2-CB 3.81Å; L700-N705 HydrophobicContact CG-CB 4.12Å |
| 701 | E | 93.6 | Very high | 92.6 | Very high | 6 Ų | 6 | 32.7 Ų | 32.7 | 3% | 0.028 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.4 | 135.9 | 177.6 | -64.4 | -179.6 | 154.1 | 0 | 0 | 111.6 | T480 G499 S650 T703 A704 N705 I726 Y728 | T480-E701 PolarHBondContact OG1-OE1 2.67Å; G499-E701 CarbonylContact O-C 3.59Å; G499-E701 WeakPolarHBondContact O-CA 3.3Å; S650-E701 PolarHBondContact OG-OE1 3.32Å; E701-T703 PolarHBondContact O-N 3.15Å; E701-A704 WeakPolarHBondContact O-CB 3.33Å; E701-A704 PolarHBondContact O-N 3.35Å; E701-N705 PolarHBondContact O-N 2.99Å; E701-I726 HydrophobicContact CG-CD1 4.24Å; E701-Y728 WeakPolarHBondContact OE2-CE1 3.43Å; E701-Y728 PolarHBondContact OE2-OH 3.48Å |
| 702 | A | 94.5 | Very high | 92.3 | Very high | 2 Ų | 2 | 33.6 Ų | 33.6 | 2% | 0.017 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.7 | -36.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | T498 G499 S501 L700 A704 N705 E706 | T498-A702 PolarHBondContact OG1-N 3.32Å; G499-A702 WeakPolarHBondContact O-CB 3.16Å; G499-A702 PolarHBondContact O-N 2.88Å; S501-A702 WeakPolarHBondContact OG-CA 3.16Å; L700-A702 PolarHBondContact O-N 3.43Å; A702-A704 PolarHBondContact O-N 3.35Å; A702-N705 WeakPolarHBondContact O-CB 3.33Å; A702-N705 PolarHBondContact O-N 2.7Å; A702-E706 VanDerWaalsContact O-CB 3.29Å; A702-E706 WeakPolarHBondContact O-CB 3.3Å; A702-E706 VanDerWaalsContact O-CG 3.24Å; A702-E706 WeakPolarHBondContact O-CG 3.5Å; A702-E706 PolarHBondContact O-N 3.32Å |
| 703 | T | 93 | Very high | 92.3 | Very high | 7 Ų | 7 | 36.5 Ų | 36.5 | 4% | 0.043 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -59.6 | -43.6 | 174.8 | 38.9 | 0 | 0 | 0 | 0 | 112.3 | L496 T498 E701 Y707 Y728 W763 | L496-T703 HydrophobicContact CD2-CG2 3.59Å; L496-T703 HydrophobicContact CG-CG2 4.14Å; T498-T703 WeakPolarHBondContact OG1-CG2 3.19Å; T498-T703 PolarHBondContact OG1-N 2.86Å; T498-T703 PolarHBondContact OG1-OG1 3.5Å; E701-T703 PolarHBondContact O-N 3.15Å; T703-Y707 VanDerWaalsContact O-CB 3.25Å; T703-Y707 WeakPolarHBondContact O-CB 3.34Å; T703-Y707 PolarHBondContact O-N 3.26Å; T703-Y707 VanDerWaalsContact O-N 3.09Å; T703-Y728 HydrophobicContact CG2-CE2 4.03Å; T703-Y728 PolarHBondContact OG1-OH 2.88Å; T703-W763 HydrophobicContact CG2-CZ2 4.38Å; T703-W763 PolarHBondContact O-NE1 3.31Å |
| 704 | A | 92.5 | Very high | 92.3 | Very high | 15 Ų | 15 | 29.1 Ų | 29.1 | 12% | 0.124 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.4 | -37.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y682 L700 E701 A702 A708 | Y682-A704 HydrophobicContact CD2-CB 3.83Å; Y682-A704 HydrophobicContact CE2-CB 3.73Å; L700-A704 HydrophobicContact CD1-CB 3.96Å; E701-A704 WeakPolarHBondContact O-CB 3.33Å; E701-A704 PolarHBondContact O-N 3.35Å; A702-A704 PolarHBondContact O-N 3.35Å; A704-A708 WeakPolarHBondContact O-CB 3.3Å; A704-A708 PolarHBondContact O-N 3.45Å |
| 705 | N | 94.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -52.8 | 177.8 | -171 | 0.8 | 0 | 0 | 0 | 112.4 | S501 I502 M503 L700 E701 A702 Y707 A708 G709 | S501-N705 WeakPolarHBondContact OG-CB 3.29Å; S501-N705 PolarHBondContact OG-ND2 2.95Å; I502-N705 PolarHBondContact O-ND2 3.35Å; M503-N705 WeakPolarHBondContact CB-OD1 3.41Å; M503-N705 HydrophobicContact CE-CB 4.11Å; M503-N705 WeakPolarHBondContact CE-OD1 3.5Å; M503-N705 WeakPolarHBondContact CG-OD1 3.36Å; L700-N705 HydrophobicContact CD1-CB 4.46Å; L700-N705 HydrophobicContact CD2-CB 3.81Å; L700-N705 HydrophobicContact CG-CB 4.12Å; E701-N705 PolarHBondContact O-N 2.99Å; A702-N705 WeakPolarHBondContact O-CB 3.33Å; A702-N705 PolarHBondContact O-N 2.7Å; N705-Y707 VanDerWaalsContact C-N 3.31Å; N705-Y707 PolarHBondContact O-N 3.26Å; N705-A708 PolarHBondContact O-N 2.85Å; N705-G709 PolarHBondContact O-N 3.48Å |
| 706 | E | 92.7 | Very high | 92.5 | Very high | 53 Ų | 53 | 22.9 Ų | 22.9 | 25% | 0.248 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61 | -42 | 178.5 | -72 | 163.7 | -163.6 | 0 | 0 | 110.6 | A702 G709 T710 K718 | A702-E706 VanDerWaalsContact O-CB 3.29Å; A702-E706 WeakPolarHBondContact O-CB 3.3Å; A702-E706 VanDerWaalsContact O-CG 3.24Å; A702-E706 WeakPolarHBondContact O-CG 3.5Å; A702-E706 PolarHBondContact O-N 3.32Å; E706-G709 PolarHBondContact O-N 3.41Å; E706-T710 PolarHBondContact O-N 3.5Å; E706-K718 HydrophobicContact CG-CD 4.17Å; E706-K718 WeakPolarHBondContact OE1-CD 3.43Å; E706-K718 IonicContact OE1-NZ 2.75Å; E706-K718 PolarHBondContact OE1-NZ 2.9Å |
| 707 | Y | 92.9 | Very high | 92.3 | Very high | 21 Ų | 21 | 24.9 Ų | 24.9 | 8% | 0.082 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -59.4 | -51.1 | 173.7 | -175.9 | -106.5 | 0 | 0 | 0 | 112.1 | E403 P404 T703 N705 G709 T710 R711 | E403-Y707 HydrophobicContact CB-CD1 4.44Å; E403-Y707 HydrophobicContact CB-CE1 3.61Å; P404-Y707 HydrophobicContact CB-CD2 3.9Å; P404-Y707 HydrophobicContact CB-CE2 3.34Å; P404-Y707 HydrophobicContact CG-CD2 3.47Å; P404-Y707 VanDerWaalsContact CG-CD2 3.47Å; P404-Y707 HydrophobicContact CG-CE2 3.49Å; P404-Y707 VanDerWaalsContact CG-CE2 3.49Å; P404-Y707 HydrophobicContact CG-CG 4.13Å; T703-Y707 VanDerWaalsContact O-CB 3.25Å; T703-Y707 WeakPolarHBondContact O-CB 3.34Å; T703-Y707 PolarHBondContact O-N 3.26Å; T703-Y707 VanDerWaalsContact O-N 3.09Å; N705-Y707 VanDerWaalsContact C-N 3.31Å; N705-Y707 PolarHBondContact O-N 3.26Å; Y707-G709 PolarHBondContact O-N 3.39Å; Y707-T710 PolarHBondContact O-N 2.74Å; Y707-T710 PolarHBondContact O-OG1 3.34Å; Y707-T710 VanDerWaalsContact O-OG1 3.06Å; Y707-R711 HydrophobicContact CD1-CG 4.33Å; Y707-R711 HydrophobicContact CE1-CG 4.05Å; Y707-R711 WeakPolarHBondContact O-CG 3.2Å; Y707-R711 PolarHBondContact OH-NE 2.78Å |
| 708 | A | 92.2 | Very high | 92.1 | Very high | 6 Ų | 6 | 28 Ų | 28 | 5% | 0.05 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.3 | -32.2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | M503 I686 R690 A704 N705 T710 R711 | M503-A708 HydrophobicContact CE-CB 3.67Å; I686-A708 HydrophobicContact CD1-CB 3.83Å; I686-A708 HydrophobicContact CG1-CB 4.3Å; I686-A708 HydrophobicContact CG2-CB 4.41Å; R690-A708 PolarHBondContact NH2-O 2.88Å; A704-A708 WeakPolarHBondContact O-CB 3.3Å; A704-A708 PolarHBondContact O-N 3.45Å; N705-A708 PolarHBondContact O-N 2.85Å; A708-T710 VanDerWaalsContact C-N 3.29Å; A708-T710 PolarHBondContact O-N 3.42Å; A708-R711 PolarHBondContact O-N 3.01Å |
| 709 | G | 90.5 | Very high | 91.7 | Very high | 16 Ų | 16 | 28.2 Ų | 28.2 | 17% | 0.165 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -66.5 | -24.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N705 E706 Y707 | N705-G709 PolarHBondContact O-N 3.48Å; E706-G709 PolarHBondContact O-N 3.41Å; Y707-G709 PolarHBondContact O-N 3.39Å |
| 710 | T | 89.8 | Confident | 91.4 | Very high | 20 Ų | 20 | 30.1 Ų | 30.1 | 12% | 0.123 | 17% | 0.169 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.8 | 7.2 | 175.2 | 70.6 | 0 | 0 | 0 | 0 | 113.6 | E706 Y707 A708 W763 Y764 Q768 C769 | E706-T710 PolarHBondContact O-N 3.5Å; Y707-T710 PolarHBondContact O-N 2.74Å; Y707-T710 PolarHBondContact O-OG1 3.34Å; Y707-T710 VanDerWaalsContact O-OG1 3.06Å; A708-T710 VanDerWaalsContact C-N 3.29Å; A708-T710 PolarHBondContact O-N 3.42Å; T710-W763 WeakPolarHBondContact CB-O 3.2Å; T710-W763 WeakPolarHBondContact CG2-O 3.47Å; T710-W763 PolarHBondContact OG1-O 3.49Å; T710-Y764 HydrophobicContact CG2-CD1 4.36Å; T710-Q768 PolarHBondContact O-N 3.25Å; T710-C769 PolarHBondContact O-N 2.91Å; T710-C769 PolarHBondContact O-SG 3.49Å |
| 711 | R | 89.5 | Confident | 91.2 | Very high | 34 Ų | 34 | 38.4 Ų | 38.4 | 13% | 0.128 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -106.3 | 146.8 | 175.1 | -55.9 | -63.1 | 153.3 | -168.6 | -8 | 111.1 | Y707 A708 C714 W762 K766 C769 | Y707-R711 HydrophobicContact CD1-CG 4.33Å; Y707-R711 HydrophobicContact CE1-CG 4.05Å; Y707-R711 WeakPolarHBondContact O-CG 3.2Å; Y707-R711 PolarHBondContact OH-NE 2.78Å; A708-R711 PolarHBondContact O-N 3.01Å; R711-C714 WeakPolarHBondContact O-CA 3.23Å; R711-C714 PolarHBondContact O-N 2.56Å; R711-W762 PolarHBondContact NH2-O 3.39Å; R711-K766 PolarHBondContact NH1-O 2.86Å; R711-K766 PolarHBondContact NH2-O 3.37Å; R711-C769 VanDerWaalsContact C-SG 3.58Å |
| 712 | K | 87.1 | Confident | 91.1 | Very high | 146 Ų | 146 | 40.6 Ų | 40.6 | 64% | 0.635 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -58.3 | 139 | 176.7 | -75 | -179.1 | 179 | -175.7 | 0 | 110.2 | Q768 | K712-Q768 HydrophobicContact CD-CB 4.47Å; K712-Q768 HydrophobicContact CG-CB 3.95Å |
| 713 | P | 89.7 | Confident | 91 | Very high | 84 Ų | 84 | 41.9 Ų | 41.9 | 55% | 0.545 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.3 | 19.1 | 11.2 | 34.9 | -31.6 | 0 | 0 | 0 | 115.7 | D715 | P713-D715 HydrophobicContact CG-CB 4.33Å; P713-D715 WeakPolarHBondContact CG-OD1 3.36Å; P713-D715 PolarHBondContact O-N 2.91Å |
| 714 | C | 88.6 | Confident | 90.8 | Very high | 31 Ų | 31 | 42.9 Ų | 42.9 | 21% | 0.209 | 23% | 0.233 | C | C | . | . | trans | 63.8 | 24.4 | 173.3 | -44.4 | 0 | 0 | 0 | 0 | 114.5 | K506 R711 C769 | K506-C714 WeakPolarHBondContact CD-O 3.38Å; K506-C714 WeakPolarHBondContact CE-O 3.31Å; K506-C714 PolarHBondContact NZ-O 2.95Å; R711-C714 WeakPolarHBondContact O-CA 3.23Å; R711-C714 PolarHBondContact O-N 2.56Å; C714-C769 VanDerWaalsContact CA-SG 3.55Å; C714-C769 HydrophobicContact CB-CB 3.77Å; C714-C769 WeakPolarHBondContact CB-SG 3.36Å; C714-C769 VanDerWaalsContact SG-CA 3.5Å; C714-C769 WeakPolarHBondContact SG-CB 3.22Å; C714-C769 CovalentContact SG-SG 2Å; C714-C769 PolarHBondContact SG-SG 2.87Å | ||
| 715 | D | 89.9 | Confident | 90.7 | Very high | 31 Ų | 31 | 47.8 Ų | 47.8 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | trans | -102.5 | 7.7 | -168.2 | 68.8 | -29.6 | 0 | 0 | 0 | 113.7 | K505 K506 R690 P713 | K505-D715 CarbonylContact C-O 3.59Å; K505-D715 WeakPolarHBondContact CA-O 3.49Å; K505-D715 WeakPolarHBondContact CG-O 3.49Å; K506-D715 WeakPolarHBondContact CB-O 3.31Å; K506-D715 PolarHBondContact N-O 3.25Å; R690-D715 WeakPolarHBondContact CG-OD1 3.5Å; R690-D715 IonicContact NE-OD1 3.73Å; R690-D715 PolarHBondContact NE-OD1 3.41Å; P713-D715 HydrophobicContact CG-CB 4.33Å; P713-D715 WeakPolarHBondContact CG-OD1 3.36Å; P713-D715 PolarHBondContact O-N 2.91Å | ||
| 716 | T | 92.5 | Very high | 90.6 | Very high | 1 Ų | 1 | 49.4 Ų | 49.4 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 151.5 | 177.2 | 57.4 | 0 | 0 | 0 | 0 | 111 | M503 I504 K506 V689 R690 | M503-T716 HydrophobicContact CG-CG2 4.37Å; M503-T716 HydrophobicContact SD-CG2 4.09Å; I504-T716 CarbonylContact O-C 3.38Å; I504-T716 WeakPolarHBondContact O-CA 3.23Å; K506-T716 VanDerWaalsContact CE-O 3.27Å; K506-T716 WeakPolarHBondContact CE-O 3.42Å; V689-T716 HydrophobicContact CG1-CG2 4.13Å; R690-T716 HydrophobicContact CG-CG2 3.81Å |
| 717 | M | 90.7 | Very high | 90.5 | Very high | 48 Ų | 48 | 47.3 Ų | 47.3 | 24% | 0.236 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 153.1 | 175.6 | 62.3 | 179.3 | -72.9 | 0 | 0 | 112.3 | I504 K506 A627 V719 | I504-M717 HydrophobicContact CD1-CG 4.29Å; I504-M717 HydrophobicContact CD1-SD 4.49Å; I504-M717 HydrophobicContact CG1-CG 3.81Å; I504-M717 PolarHBondContact N-O 3.27Å; I504-M717 VanDerWaalsContact N-O 3.09Å; I504-M717 PolarHBondContact O-N 2.85Å; K506-M717 HydrophobicContact CG-CB 3.75Å; K506-M717 HydrophobicContact CG-CG 3.81Å; K506-M717 HydrophobicContact CG-SD 3.98Å; A627-M717 HydrophobicContact CB-CE 4.42Å; M717-V719 HydrophobicContact CE-CG2 4.31Å |
| 718 | K | 92.5 | Very high | 90.6 | Very high | 65 Ų | 65 | 46.4 Ų | 46.4 | 28% | 0.283 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 136.5 | 169.2 | 180 | -180 | 178.4 | -177 | 0 | 110 | I502 E706 N722 | I502-K718 WeakPolarHBondContact O-CA 3.22Å; E706-K718 HydrophobicContact CG-CD 4.17Å; E706-K718 WeakPolarHBondContact OE1-CD 3.43Å; E706-K718 IonicContact OE1-NZ 2.75Å; E706-K718 PolarHBondContact OE1-NZ 2.9Å; K718-N722 WeakPolarHBondContact CE-OD1 3.28Å; K718-N722 PolarHBondContact NZ-OD1 2.98Å |
| 719 | V | 89.1 | Confident | 90.7 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 137.7 | 175.6 | 167.5 | 0 | 0 | 0 | 0 | 110.5 | I502 I504 A627 I629 M717 | I502-V719 HydrophobicContact CB-CB 4.46Å; I502-V719 PolarHBondContact O-N 2.96Å; I504-V719 HydrophobicContact CD1-CG2 3.42Å; I504-V719 VanDerWaalsContact CD1-CG2 3.42Å; I504-V719 HydrophobicContact CG1-CG2 3.56Å; A627-V719 HydrophobicContact CB-CG2 4.28Å; I629-V719 HydrophobicContact CG1-CG1 4.13Å; I629-V719 WeakPolarHBondContact O-CG1 3.43Å; M717-V719 HydrophobicContact CE-CG2 4.31Å |
| 720 | G | 88.2 | Confident | 90.9 | Very high | 40 Ų | 40 | 45.4 Ų | 45.4 | 41% | 0.412 | 25% | 0.249 | S | C | . | . | S | Bend | trans | 69.4 | -174.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114 | E630 | E630-G720 WeakPolarHBondContact O-CA 3.36Å; E630-G720 PolarHBondContact O-N 2.98Å |
| 721 | M | 91 | Very high | 91 | Very high | 173 Ų | 173 | 44.5 Ų | 44.5 | 85% | 0.852 | 24% | 0.243 | S | C | * | . | S | Bend | trans | -77.7 | 162.1 | 171 | -62.2 | -173.3 | -62.6 | 0 | 0 | 110.4 | ||
| 722 | N | 92.6 | Very high | 91 | Very high | 52 Ų | 52 | 43 Ų | 43 | 28% | 0.278 | 24% | 0.238 | S | C | . | . | trans | -64.7 | 138.6 | 171.4 | -63.8 | -5.5 | 0 | 0 | 0 | 110 | G499 I500 K718 N724 | G499-N722 PolarHBondContact N-ND2 3.36Å; I500-N722 CarbonylContact O-C 3.57Å; I500-N722 VanDerWaalsContact O-CA 3.23Å; I500-N722 WeakPolarHBondContact O-CA 3.3Å; K718-N722 WeakPolarHBondContact CE-OD1 3.28Å; K718-N722 PolarHBondContact NZ-OD1 2.98Å; N722-N724 WeakPolarHBondContact CB-O 3.43Å; N722-N724 PolarHBondContact O-N 2.76Å | ||
| 723 | L | 91.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 37.1 Ų | 37.1 | 15% | 0.152 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -68.4 | -22.3 | -179.8 | -76.8 | 64.3 | 0 | 0 | 0 | 112.5 | I500 I502 V632 F655 L699 | I500-L723 HydrophobicContact CB-CB 4.28Å; I500-L723 HydrophobicContact CG2-CD2 4.16Å; I500-L723 WeakPolarHBondContact O-CD1 3.32Å; I500-L723 PolarHBondContact O-N 2.8Å; I502-L723 HydrophobicContact CD1-CD1 4.38Å; I502-L723 HydrophobicContact CG1-CD1 4.17Å; V632-L723 HydrophobicContact CB-CD1 4.04Å; V632-L723 HydrophobicContact CB-CD2 4.15Å; V632-L723 HydrophobicContact CB-CG 3.91Å; V632-L723 HydrophobicContact CG1-CG 4.14Å; V632-L723 HydrophobicContact CG2-CD1 4.31Å; V632-L723 HydrophobicContact CG2-CD2 3.56Å; V632-L723 HydrophobicContact CG2-CG 3.89Å; F655-L723 HydrophobicContact CE1-CD2 4.26Å; F655-L723 HydrophobicContact CZ-CD2 3.7Å; L699-L723 HydrophobicContact CD2-CD2 4.04Å |
| 724 | N | 90.4 | Very high | 90.1 | Very high | 29 Ų | 29 | 38.2 Ų | 38.2 | 16% | 0.155 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -151.6 | 172.1 | 177.4 | 68.4 | -15.3 | 0 | 0 | 0 | 110.3 | G499 I500 F654 N722 | G499-N724 WeakPolarHBondContact CA-O 3.49Å; I500-N724 WeakPolarHBondContact CG1-OD1 3.48Å; I500-N724 PolarHBondContact N-OD1 2.89Å; F654-N724 HydrophobicContact CE2-CB 3.93Å; F654-N724 HydrophobicContact CZ-CB 4.11Å; N722-N724 WeakPolarHBondContact CB-O 3.43Å; N722-N724 PolarHBondContact O-N 2.76Å |
| 725 | T | 90.2 | Very high | 89.3 | Confident | 118 Ų | 118 | 39 Ų | 39 | 72% | 0.724 | 21% | 0.213 | S | C | * | . | trans | -117 | 118 | 172.5 | -52.9 | 0 | 0 | 0 | 0 | 108.4 | T497 | T497-T725 HydrophobicContact CG2-CG2 3.56Š| ||
| 726 | I | 90.6 | Very high | 88.7 | Confident | 35 Ų | 35 | 38.6 Ų | 38.6 | 18% | 0.179 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 160.6 | 175.7 | 49.8 | 166.1 | 0 | 0 | 0 | 108.8 | T480 T498 E701 | T480-I726 HydrophobicContact CG2-CB 3.89Å; T480-I726 HydrophobicContact CG2-CD1 3.57Å; T480-I726 HydrophobicContact CG2-CG1 4.23Å; T480-I726 HydrophobicContact CG2-CG2 4.28Å; T498-I726 CarbonylContact C-O 3.57Å; T498-I726 HydrophobicContact CG2-CD1 3.99Å; T498-I726 HydrophobicContact CG2-CG1 3.8Å; T498-I726 PolarHBondContact N-O 2.97Å; T498-I726 PolarHBondContact O-N 2.69Å; E701-I726 HydrophobicContact CG-CD1 4.24Å |
| 727 | G | 91.8 | Very high | 87.7 | Confident | 9 Ų | 9 | 39.5 Ų | 39.5 | 9% | 0.093 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 153.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | I481 L496 | I481-G727 WeakPolarHBondContact CG1-O 3.47Å; I481-G727 PolarHBondContact N-O 2.97Å; L496-G727 WeakPolarHBondContact O-CA 3.34Å |
| 728 | Y | 95 | Very high | 87.2 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 0% | 0.004 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 126.1 | 164.5 | -54.8 | -42.8 | 0 | 0 | 0 | 109.4 | F405 S478 L479 P494 F495 L496 T498 E701 T703 | F405-Y728 AromaticContact CE1-CD2 3.92Å; F405-Y728 HydrophobicContact CE1-CD2 3.92Å; F405-Y728 AromaticContact CE1-CE2 3.94Å; F405-Y728 HydrophobicContact CE1-CE2 3.94Å; F405-Y728 HydrophobicContact CE2-CE2 4.34Å; F405-Y728 AromaticContact CZ-CD2 3.97Å; F405-Y728 HydrophobicContact CZ-CD2 3.97Å; F405-Y728 AromaticContact CZ-CE2 3.48Å; F405-Y728 HydrophobicContact CZ-CE2 3.48Å; F405-Y728 VanDerWaalsContact CZ-CE2 3.48Å; S478-Y728 WeakPolarHBondContact O-CE1 3.29Å; L479-Y728 WeakPolarHBondContact O-CA 3.47Å; P494-Y728 CarbonylContact C-O 3.6Å; P494-Y728 WeakPolarHBondContact CA-O 3.3Å; F495-Y728 VanDerWaalsContact CD1-O 3.22Å; F495-Y728 WeakPolarHBondContact CD1-O 3.45Å; F495-Y728 WeakPolarHBondContact CE1-O 3.36Å; F495-Y728 HydrophobicContact CE2-CD2 4.49Å; F495-Y728 VanDerWaalsContact CZ-CB 3.48Å; F495-Y728 HydrophobicContact CZ-CG 4.48Å; F495-Y728 PolarHBondContact N-O 3.41Å; L496-Y728 HydrophobicContact CB-CD2 4.06Å; L496-Y728 HydrophobicContact CD2-CD2 3.97Å; L496-Y728 HydrophobicContact CD2-CE2 4.12Å; L496-Y728 HydrophobicContact CG-CD2 4.32Å; L496-Y728 PolarHBondContact O-N 2.88Å; T498-Y728 HydrophobicContact CG2-CE1 3.94Å; T498-Y728 HydrophobicContact CG2-CE2 4.01Å; E701-Y728 WeakPolarHBondContact OE2-CE1 3.43Å; E701-Y728 PolarHBondContact OE2-OH 3.48Å; T703-Y728 HydrophobicContact CG2-CE2 4.03Å; T703-Y728 PolarHBondContact OG1-OH 2.88Å |
| 729 | G | 93.1 | Very high | 86.8 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 20% | 0.202 | C | C | . | . | trans | -115 | 154 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | L479 A731 | L479-G729 PolarHBondContact O-N 2.94Å; G729-A731 PolarHBondContact O-N 3.41Å | ||
| 730 | I | 94.8 | Very high | 86.7 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | trans | -72.7 | 120 | 162.9 | -66.1 | 172 | 0 | 0 | 0 | 106.1 | L428 V432 L474 V476 F491 S492 F495 I742 I746 | L428-I730 HydrophobicContact CD2-CD1 4.19Å; L428-I730 HydrophobicContact CD2-CG1 4.49Å; V432-I730 HydrophobicContact CG2-CD1 4.11Å; L474-I730 HydrophobicContact CD2-CG2 3.96Å; V476-I730 HydrophobicContact CG1-CG1 4.13Å; V476-I730 HydrophobicContact CG2-CD1 4.43Å; V476-I730 HydrophobicContact CG2-CG1 4.13Å; V476-I730 HydrophobicContact CG2-CG2 3.92Å; F491-I730 WeakPolarHBondContact CA-O 3.3Å; S492-I730 PolarHBondContact N-O 3.31Å; S492-I730 PolarHBondContact OG-N 2.99Å; F495-I730 HydrophobicContact CD1-CG1 4Å; F495-I730 HydrophobicContact CE1-CG1 4.17Å; I730-I742 HydrophobicContact CB-CG2 4.03Å; I730-I742 HydrophobicContact CD1-CG2 3.57Å; I730-I742 HydrophobicContact CG1-CG2 4.35Å; I730-I742 HydrophobicContact CG2-CD1 4.13Å; I730-I742 HydrophobicContact CG2-CG2 4.17Å; I730-I746 HydrophobicContact CD1-CD1 3.93Å; I730-I746 HydrophobicContact CD1-CG1 4.26Å | ||
| 731 | A | 92.4 | Very high | 86.8 | Confident | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 139.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | L467 A475 L479 V489 D490 F491 G729 | L467-A731 HydrophobicContact CD1-CB 3.51Å; A475-A731 HydrophobicContact CB-CB 4.24Å; A475-A731 PolarHBondContact N-O 3.08Å; A475-A731 PolarHBondContact O-N 3.24Å; L479-A731 HydrophobicContact CD2-CB 3.55Å; V489-A731 HydrophobicContact CG2-CB 4.31Å; D490-A731 CarbonylContact O-C 3.55Å; D490-A731 WeakPolarHBondContact O-CA 3.46Å; F491-A731 HydrophobicContact CD1-CB 3.84Å; F491-A731 HydrophobicContact CE1-CB 3.64Å; F491-A731 HydrophobicContact CZ-CB 4.11Å; G729-A731 PolarHBondContact O-N 3.41Å |
| 732 | T | 89.8 | Confident | 86.9 | Confident | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.012 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 162.1 | 171.1 | 59.1 | 0 | 0 | 0 | 0 | 108.5 | L474 V489 D490 S736 L738 I742 | L474-T732 HydrophobicContact CD2-CG2 3.56Å; V489-T732 WeakPolarHBondContact CB-O 3.13Å; D490-T732 PolarHBondContact N-O 2.82Å; D490-T732 VanDerWaalsContact N-O 3.11Å; D490-T732 PolarHBondContact O-N 3.34Å; T732-S736 WeakPolarHBondContact OG1-CB 3.43Å; T732-L738 HydrophobicContact CG2-CB 4.45Å; T732-I742 HydrophobicContact CG2-CD1 4.49Å |
| 733 | P | 84 | Confident | 86.8 | Confident | 23 Ų | 23 | 33.3 Ų | 33.3 | 15% | 0.149 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -50.4 | 150.6 | 159.7 | -21.7 | 34.6 | 0 | 0 | 0 | 109.3 | L467 D473 N735 S736 | L467-P733 HydrophobicContact CD2-CG 4.26Å; D473-P733 WeakPolarHBondContact O-CD 3.27Å; P733-N735 PolarHBondContact O-N 3.02Å; P733-S736 WeakPolarHBondContact O-CB 3.42Å; P733-S736 PolarHBondContact O-N 2.86Å; P733-S736 VanDerWaalsContact O-N 3.17Å |
| 734 | F | 74.8 | Confident | 86.9 | Confident | 108 Ų | 108 | 36.8 Ų | 36.8 | 47% | 0.474 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.2 | 132.7 | 176.7 | -159.5 | -97 | 0 | 0 | 0 | 109.6 | D490 S736 | D490-F734 WeakPolarHBondContact OD1-CD2 3.43Å; D490-F734 WeakPolarHBondContact OD1-CE2 3.34Å; F734-S736 PolarHBondContact O-N 3.47Å |
| 735 | N | 70.2 | Confident | 87.1 | Confident | 48 Ų | 48 | 35.5 Ų | 35.5 | 26% | 0.257 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.8 | 41.2 | -178.5 | -131.3 | -16 | 0 | 0 | 0 | 114.5 | D216 A219 D490 P733 | D216-N735 VanDerWaalsContact C-ND2 3.27Å; D216-N735 VanDerWaalsContact CA-ND2 3.27Å; D216-N735 WeakPolarHBondContact CA-ND2 3.26Å; D216-N735 VanDerWaalsContact CB-ND2 3.27Å; D216-N735 WeakPolarHBondContact CB-ND2 3.35Å; D216-N735 PolarHBondContact O-ND2 3.21Å; A219-N735 WeakPolarHBondContact CB-O 3.23Å; D490-N735 WeakPolarHBondContact OD2-CA 3.49Å; D490-N735 PolarHBondContact OD2-N 3.49Å; P733-N735 PolarHBondContact O-N 3.02Å |
| 736 | S | 77.9 | Confident | 87.3 | Confident | 21 Ų | 21 | 29.9 Ų | 29.9 | 15% | 0.147 | 16% | 0.156 | C | C | . | . | trans | -73.5 | 141.5 | 173.8 | -179.9 | 0 | 0 | 0 | 0 | 112.5 | T732 P733 F734 L738 G739 | T732-S736 WeakPolarHBondContact OG1-CB 3.43Å; P733-S736 WeakPolarHBondContact O-CB 3.42Å; P733-S736 PolarHBondContact O-N 2.86Å; P733-S736 VanDerWaalsContact O-N 3.17Å; F734-S736 PolarHBondContact O-N 3.47Å; S736-L738 PolarHBondContact O-N 3.45Å; S736-L738 PolarHBondContact OG-N 3.47Å; S736-G739 WeakPolarHBondContact O-CA 3.48Å; S736-G739 PolarHBondContact O-N 3.45Å | ||
| 737 | D | 71.5 | Confident | 87.4 | Confident | 21 Ų | 21 | 30.9 Ų | 30.9 | 11% | 0.112 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -50.9 | -37.3 | 167.7 | -81.3 | -61.4 | 0 | 0 | 0 | 115.4 | A219 K220 L245 G739 | A219-D737 VanDerWaalsContact C-OD2 3.26Å; K220-D737 WeakPolarHBondContact CA-OD1 3.36Å; K220-D737 PolarHBondContact N-OD1 3.32Å; L245-D737 WeakPolarHBondContact CD1-OD2 3.27Å; L245-D737 WeakPolarHBondContact CG-OD2 3.4Å; D737-G739 PolarHBondContact O-N 2.87Å |
| 738 | L | 80.3 | Confident | 87.5 | Confident | 4 Ų | 4 | 34.4 Ų | 34.4 | 2% | 0.021 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -72.3 | -23.1 | -178.2 | -62.2 | 177.7 | 0 | 0 | 0 | 109.4 | W394 I436 L439 L474 T732 S736 E740 K741 I742 | W394-L738 HydrophobicContact CD2-CD1 4.07Å; W394-L738 HydrophobicContact CE3-CD1 3.76Å; W394-L738 HydrophobicContact CH2-CD1 4.37Å; W394-L738 HydrophobicContact CH2-CG 4.31Å; W394-L738 HydrophobicContact CZ3-CD1 3.92Å; W394-L738 HydrophobicContact CZ3-CG 4.29Å; I436-L738 HydrophobicContact CD1-CD2 4.37Å; L439-L738 HydrophobicContact CD1-CD2 4.04Å; L474-L738 HydrophobicContact CD1-CD1 3.93Å; L474-L738 HydrophobicContact CD2-CB 4.25Å; L474-L738 HydrophobicContact CD2-CD1 4.03Å; L474-L738 HydrophobicContact CG-CD1 3.95Å; T732-L738 HydrophobicContact CG2-CB 4.45Å; S736-L738 PolarHBondContact O-N 3.45Å; S736-L738 PolarHBondContact OG-N 3.47Å; L738-E740 PolarHBondContact O-N 3.05Å; L738-K741 PolarHBondContact O-N 3.31Å; L738-I742 HydrophobicContact CB-CD1 3.66Å; L738-I742 HydrophobicContact CB-CG1 4.18Å; L738-I742 WeakPolarHBondContact O-CA 3.3Å; L738-I742 WeakPolarHBondContact O-CB 3.45Å; L738-I742 WeakPolarHBondContact O-CG1 3.39Å; L738-I742 PolarHBondContact O-N 2.95Å |
| 739 | G | 85.1 | Confident | 87.5 | Confident | 16 Ų | 16 | 34.4 Ų | 34.4 | 17% | 0.165 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -50.4 | -56.9 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | S736 D737 N743 | S736-G739 WeakPolarHBondContact O-CA 3.48Å; S736-G739 PolarHBondContact O-N 3.45Å; D737-G739 PolarHBondContact O-N 2.87Å; G739-N743 WeakPolarHBondContact O-CB 3.28Å; G739-N743 PolarHBondContact O-N 3.38Å |
| 740 | E | 86.3 | Confident | 87.5 | Confident | 103 Ų | 103 | 39.6 Ų | 39.6 | 48% | 0.481 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70.6 | -41.5 | -178.3 | -172.1 | 172.5 | -170.8 | 0 | 0 | 112.8 | K220 L738 N743 L744 | K220-E740 WeakPolarHBondContact CE-OE2 3.44Å; K220-E740 IonicContact NZ-OE2 2.86Å; K220-E740 PolarHBondContact NZ-OE2 3.23Å; L738-E740 PolarHBondContact O-N 3.05Å; E740-N743 WeakPolarHBondContact O-CB 3.3Å; E740-N743 PolarHBondContact O-N 2.98Å; E740-L744 HydrophobicContact CG-CD1 4.47Å; E740-L744 WeakPolarHBondContact O-CG 3.31Å; E740-L744 PolarHBondContact O-N 3.5Å |
| 741 | K | 89.4 | Confident | 87.4 | Confident | 93 Ų | 93 | 47.2 Ų | 47.2 | 40% | 0.404 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -64.3 | -43 | 178.8 | -67.7 | -178.7 | -179.5 | 177.2 | 0 | 111.9 | I436 L738 L744 A745 | I436-K741 HydrophobicContact CG2-CB 3.91Å; L738-K741 PolarHBondContact O-N 3.31Å; K741-L744 PolarHBondContact O-N 2.87Å; K741-A745 VanDerWaalsContact O-CB 3.28Å; K741-A745 WeakPolarHBondContact O-CB 3.37Å; K741-A745 PolarHBondContact O-N 3.45Å |
| 742 | I | 92.8 | Very high | 87.5 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67 | -42.1 | 174.6 | -67.6 | 175.3 | 0 | 0 | 0 | 109.4 | V432 L474 I730 T732 L738 L744 A745 I746 | V432-I742 HydrophobicContact CG1-CB 4.47Å; V432-I742 HydrophobicContact CG1-CD1 4.45Å; V432-I742 HydrophobicContact CG1-CG1 3.82Å; V432-I742 HydrophobicContact CG1-CG2 4.29Å; L474-I742 HydrophobicContact CD1-CD1 4.21Å; L474-I742 HydrophobicContact CD2-CD1 3.28Å; L474-I742 HydrophobicContact CG-CD1 4.39Å; I730-I742 HydrophobicContact CB-CG2 4.03Å; I730-I742 HydrophobicContact CD1-CG2 3.57Å; I730-I742 HydrophobicContact CG1-CG2 4.35Å; I730-I742 HydrophobicContact CG2-CD1 4.13Å; I730-I742 HydrophobicContact CG2-CG2 4.17Å; T732-I742 HydrophobicContact CG2-CD1 4.49Å; L738-I742 HydrophobicContact CB-CD1 3.66Å; L738-I742 HydrophobicContact CB-CG1 4.18Å; L738-I742 WeakPolarHBondContact O-CA 3.3Å; L738-I742 WeakPolarHBondContact O-CB 3.45Å; L738-I742 WeakPolarHBondContact O-CG1 3.39Å; L738-I742 PolarHBondContact O-N 2.95Å; I742-L744 VanDerWaalsContact C-N 3.33Å; I742-L744 PolarHBondContact O-N 3.28Å; I742-A745 PolarHBondContact O-N 2.81Å; I742-I746 HydrophobicContact CG2-CG1 3.98Å; I742-I746 WeakPolarHBondContact O-CB 3.18Å; I742-I746 VanDerWaalsContact O-CG1 3.26Å; I742-I746 WeakPolarHBondContact O-CG1 3.3Å; I742-I746 PolarHBondContact O-N 2.92Å |
| 743 | N | 92.1 | Very high | 87.6 | Confident | 36 Ų | 36 | 53 Ų | 53 | 19% | 0.193 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -58.3 | -45.4 | 177.3 | -171.5 | 66.5 | 0 | 0 | 0 | 111.8 | K493 G739 E740 L747 | K493-N743 WeakPolarHBondContact CB-OD1 3.45Å; K493-N743 WeakPolarHBondContact CD-OD1 3.28Å; K493-N743 WeakPolarHBondContact CG-OD1 3.35Å; K493-N743 PolarHBondContact N-OD1 3.27Å; G739-N743 WeakPolarHBondContact O-CB 3.28Å; G739-N743 PolarHBondContact O-N 3.38Å; E740-N743 WeakPolarHBondContact O-CB 3.3Å; E740-N743 PolarHBondContact O-N 2.98Å; N743-L747 VanDerWaalsContact O-CG 3.3Å; N743-L747 WeakPolarHBondContact O-CG 3.35Å; N743-L747 PolarHBondContact O-N 3.21Å; N743-L747 VanDerWaalsContact O-N 3.08Å |
| 744 | L | 92.3 | Very high | 88.1 | Confident | 102 Ų | 102 | 54.2 Ų | 54.2 | 53% | 0.534 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -42.7 | 173.8 | -69.3 | 175.1 | 0 | 0 | 0 | 112.2 | E740 K741 I742 I746 L747 E748 | E740-L744 HydrophobicContact CG-CD1 4.47Å; E740-L744 WeakPolarHBondContact O-CG 3.31Å; E740-L744 PolarHBondContact O-N 3.5Å; K741-L744 PolarHBondContact O-N 2.87Å; I742-L744 VanDerWaalsContact C-N 3.33Å; I742-L744 PolarHBondContact O-N 3.28Å; L744-I746 PolarHBondContact O-N 2.8Å; L744-L747 PolarHBondContact O-N 2.8Å; L744-E748 WeakPolarHBondContact O-CB 3.5Å; L744-E748 PolarHBondContact O-N 2.86Å |
| 745 | A | 94.3 | Very high | 89.1 | Confident | 3 Ų | 3 | 49.6 Ų | 49.6 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -62 | -41.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | K435 I436 K741 I742 E748 L749 | K435-A745 HydrophobicContact CB-CB 3.76Å; I436-A745 HydrophobicContact CG2-CB 4.07Å; K741-A745 VanDerWaalsContact O-CB 3.28Å; K741-A745 WeakPolarHBondContact O-CB 3.37Å; K741-A745 PolarHBondContact O-N 3.45Å; I742-A745 PolarHBondContact O-N 2.81Å; A745-E748 PolarHBondContact O-N 3.44Å; A745-L749 VanDerWaalsContact O-CB 3.3Å; A745-L749 WeakPolarHBondContact O-CB 3.44Å; A745-L749 WeakPolarHBondContact O-CG 3.47Å; A745-L749 PolarHBondContact O-N 2.87Å |
| 746 | I | 95.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.9 | -44 | 176.1 | -69 | -55.9 | 0 | 0 | 0 | 110.8 | L428 V432 K493 F495 I730 I742 L744 L749 Q750 L755 | L428-I746 HydrophobicContact CD1-CD1 3.79Å; L428-I746 HydrophobicContact CD2-CD1 4.47Å; L428-I746 HydrophobicContact CG-CD1 4.47Å; V432-I746 HydrophobicContact CG2-CD1 3.71Å; K493-I746 HydrophobicContact CB-CG2 4.42Å; F495-I746 HydrophobicContact CB-CD1 3.89Å; F495-I746 HydrophobicContact CB-CG2 3.96Å; I730-I746 HydrophobicContact CD1-CD1 3.93Å; I730-I746 HydrophobicContact CD1-CG1 4.26Å; I742-I746 HydrophobicContact CG2-CG1 3.98Å; I742-I746 WeakPolarHBondContact O-CB 3.18Å; I742-I746 VanDerWaalsContact O-CG1 3.26Å; I742-I746 WeakPolarHBondContact O-CG1 3.3Å; I742-I746 PolarHBondContact O-N 2.92Å; L744-I746 PolarHBondContact O-N 2.8Å; I746-L749 PolarHBondContact O-N 3.37Å; I746-Q750 WeakPolarHBondContact O-CB 3.24Å; I746-Q750 PolarHBondContact O-N 3.39Å; I746-L755 HydrophobicContact CG2-CD1 4.16Å |
| 747 | L | 92.8 | Very high | 91 | Very high | 56 Ų | 56 | 56.4 Ų | 56.4 | 29% | 0.293 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 175.6 | -74.5 | 172.2 | 0 | 0 | 0 | 111.5 | K493 N743 L744 Q750 E751 | K493-L747 HydrophobicContact CB-CD2 4.33Å; K493-L747 HydrophobicContact CB-CG 4.48Å; K493-L747 HydrophobicContact CG-CD1 4.29Å; K493-L747 HydrophobicContact CG-CD2 3.85Å; K493-L747 HydrophobicContact CG-CG 4.04Å; N743-L747 VanDerWaalsContact O-CG 3.3Å; N743-L747 WeakPolarHBondContact O-CG 3.35Å; N743-L747 PolarHBondContact O-N 3.21Å; N743-L747 VanDerWaalsContact O-N 3.08Å; L744-L747 PolarHBondContact O-N 2.8Å; L747-Q750 WeakPolarHBondContact O-CB 3.37Å; L747-Q750 PolarHBondContact O-N 3.27Å; L747-E751 WeakPolarHBondContact O-CG 3.42Å; L747-E751 PolarHBondContact O-N 3.32Å |
| 748 | E | 92.8 | Very high | 92.2 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 38% | 0.383 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.3 | -46.5 | 177.3 | -169.7 | -172.3 | 161.4 | 0 | 0 | 111.6 | K435 L744 A745 Q750 E751 I752 | K435-E748 IonicContact NZ-OE1 2.99Å; K435-E748 PolarHBondContact NZ-OE1 3.49Å; K435-E748 IonicContact NZ-OE2 2.89Å; L744-E748 WeakPolarHBondContact O-CB 3.5Å; L744-E748 PolarHBondContact O-N 2.86Å; A745-E748 PolarHBondContact O-N 3.44Å; E748-Q750 PolarHBondContact O-N 2.85Å; E748-E751 PolarHBondContact O-N 3.13Å; E748-I752 WeakPolarHBondContact O-CG1 3.49Å; E748-I752 WeakPolarHBondContact O-CG2 3.31Å; E748-I752 PolarHBondContact O-N 2.86Å |
| 749 | L | 95.9 | Very high | 92.8 | Very high | 2 Ų | 2 | 56.8 Ų | 56.8 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.4 | -30.4 | 176.4 | -71.3 | 171.1 | 0 | 0 | 0 | 112.3 | L428 L431 V432 K435 A745 I746 I752 G753 E754 L755 | L428-L749 HydrophobicContact CD1-CD1 4.33Å; L431-L749 HydrophobicContact CB-CD1 3.94Å; L431-L749 HydrophobicContact CB-CD2 4.04Å; L431-L749 HydrophobicContact CD1-CD2 4.21Å; V432-L749 HydrophobicContact CG2-CD1 3.98Å; K435-L749 HydrophobicContact CG-CD2 4.21Å; K435-L749 HydrophobicContact CG-CG 4.32Å; A745-L749 VanDerWaalsContact O-CB 3.3Å; A745-L749 WeakPolarHBondContact O-CB 3.44Å; A745-L749 WeakPolarHBondContact O-CG 3.47Å; A745-L749 PolarHBondContact O-N 2.87Å; I746-L749 PolarHBondContact O-N 3.37Å; L749-I752 HydrophobicContact CD2-CD1 4.18Å; L749-G753 PolarHBondContact O-N 2.8Å; L749-E754 HydrophobicContact CB-CB 4.38Å; L749-E754 HydrophobicContact CD2-CB 3.83Å; L749-E754 HydrophobicContact CD2-CG 4.15Å; L749-E754 PolarHBondContact O-N 3.37Å; L749-L755 HydrophobicContact CB-CD1 4.49Å; L749-L755 HydrophobicContact CB-CD2 3.94Å; L749-L755 HydrophobicContact CB-CG 3.9Å; L749-L755 HydrophobicContact CD1-CD2 4.44Å; L749-L755 PolarHBondContact O-N 2.94Å |
| 750 | Q | 92.3 | Very high | 93.1 | Very high | 108 Ų | 108 | 60.1 Ų | 60.1 | 51% | 0.505 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -72.7 | -46.8 | 174.6 | -169.6 | 176.2 | -12.4 | 0 | 0 | 111.4 | I746 L747 E748 G753 L755 | I746-Q750 WeakPolarHBondContact O-CB 3.24Å; I746-Q750 PolarHBondContact O-N 3.39Å; L747-Q750 WeakPolarHBondContact O-CB 3.37Å; L747-Q750 PolarHBondContact O-N 3.27Å; E748-Q750 PolarHBondContact O-N 2.85Å; Q750-G753 PolarHBondContact O-N 3.46Å; Q750-G753 VanDerWaalsContact O-N 3.16Å; Q750-L755 HydrophobicContact CB-CD1 3.73Å; Q750-L755 HydrophobicContact CG-CD1 4.29Å |
| 751 | E | 91.9 | Very high | 93.5 | Very high | 163 Ų | 163 | 57.6 Ų | 57.6 | 76% | 0.762 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -63 | -40.6 | -179.7 | -74.6 | 176 | -175.2 | 0 | 0 | 112.5 | L747 E748 G753 | L747-E751 WeakPolarHBondContact O-CG 3.42Å; L747-E751 PolarHBondContact O-N 3.32Å; E748-E751 PolarHBondContact O-N 3.13Å; E751-G753 VanDerWaalsContact C-N 3.25Å; E751-G753 PolarHBondContact O-N 2.87Å |
| 752 | I | 94.6 | Very high | 93.7 | Very high | 92 Ų | 92 | 53.5 Ų | 53.5 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -6.9 | 177.3 | 71.2 | -176.2 | 0 | 0 | 0 | 113.4 | E748 L749 E754 | E748-I752 WeakPolarHBondContact O-CG1 3.49Å; E748-I752 WeakPolarHBondContact O-CG2 3.31Å; E748-I752 PolarHBondContact O-N 2.86Å; L749-I752 HydrophobicContact CD2-CD1 4.18Å; I752-E754 HydrophobicContact CD1-CB 4.19Å; I752-E754 HydrophobicContact CD1-CG 3.61Å; I752-E754 HydrophobicContact CG1-CB 4.02Å; I752-E754 HydrophobicContact CG1-CG 3.79Å |
| 753 | G | 92.7 | Very high | 93.7 | Very high | 31 Ų | 31 | 53.5 Ų | 53.5 | 32% | 0.32 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 7.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | L749 Q750 E751 L755 K756 R757 | L749-G753 PolarHBondContact O-N 2.8Å; Q750-G753 PolarHBondContact O-N 3.46Å; Q750-G753 VanDerWaalsContact O-N 3.16Å; E751-G753 VanDerWaalsContact C-N 3.25Å; E751-G753 PolarHBondContact O-N 2.87Å; G753-L755 PolarHBondContact O-N 3.42Å; G753-K756 PolarHBondContact O-N 3.1Å; G753-R757 PolarHBondContact O-N 3.21Å |
| 754 | E | 95.5 | Very high | 93.6 | Very high | 49 Ų | 49 | 55.1 Ų | 55.1 | 23% | 0.229 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 179.3 | -85.9 | -62.7 | 126.6 | 0 | 0 | 112.6 | L431 L749 I752 K756 R757 L758 | L431-E754 HydrophobicContact CD1-CB 4.32Å; L749-E754 HydrophobicContact CB-CB 4.38Å; L749-E754 HydrophobicContact CD2-CB 3.83Å; L749-E754 HydrophobicContact CD2-CG 4.15Å; L749-E754 PolarHBondContact O-N 3.37Å; I752-E754 HydrophobicContact CD1-CB 4.19Å; I752-E754 HydrophobicContact CD1-CG 3.61Å; I752-E754 HydrophobicContact CG1-CB 4.02Å; I752-E754 HydrophobicContact CG1-CG 3.79Å; E754-K756 VanDerWaalsContact C-N 3.3Å; E754-K756 PolarHBondContact O-N 3.34Å; E754-R757 VanDerWaalsContact CD-NE 3.29Å; E754-R757 WeakPolarHBondContact O-CB 3.39Å; E754-R757 PolarHBondContact O-N 3.42Å; E754-R757 IonicContact OE1-CZ 3.74Å; E754-R757 IonicContact OE1-NE 2.7Å; E754-R757 PolarHBondContact OE1-NE 2.89Å; E754-R757 IonicContact OE2-CZ 2.91Å; E754-R757 IonicContact OE2-NE 3.83Å; E754-R757 PolarHBondContact OE2-NE 3.49Å; E754-R757 IonicContact OE2-NH2 2.81Å; E754-R757 PolarHBondContact OE2-NH2 2.92Å; E754-L758 PolarHBondContact O-N 3.48Å |
| 755 | L | 94.9 | Very high | 93.3 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 5% | 0.052 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 176 | -60.6 | -177.3 | 0 | 0 | 0 | 111.5 | L428 F495 I746 L749 Q750 G753 L758 E759 | L428-L755 HydrophobicContact CD1-CD2 3.53Å; F495-L755 HydrophobicContact CB-CD1 4.23Å; F495-L755 HydrophobicContact CB-CD2 4.49Å; I746-L755 HydrophobicContact CG2-CD1 4.16Å; L749-L755 HydrophobicContact CB-CD1 4.49Å; L749-L755 HydrophobicContact CB-CD2 3.94Å; L749-L755 HydrophobicContact CB-CG 3.9Å; L749-L755 HydrophobicContact CD1-CD2 4.44Å; L749-L755 PolarHBondContact O-N 2.94Å; Q750-L755 HydrophobicContact CB-CD1 3.73Å; Q750-L755 HydrophobicContact CG-CD1 4.29Å; G753-L755 PolarHBondContact O-N 3.42Å; L755-L758 PolarHBondContact O-N 2.85Å; L755-E759 PolarHBondContact O-N 3.4Å |
| 756 | K | 92.6 | Very high | 93 | Very high | 106 Ų | 106 | 60.6 Ų | 60.6 | 46% | 0.461 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -68.5 | -37.8 | 176.7 | -171.4 | 53.3 | 170.1 | 178.9 | 0 | 111.5 | G753 E754 E759 M760 | G753-K756 PolarHBondContact O-N 3.1Å; E754-K756 VanDerWaalsContact C-N 3.3Å; E754-K756 PolarHBondContact O-N 3.34Å; K756-E759 HydrophobicContact CD-CB 4.46Å; K756-E759 WeakPolarHBondContact CD-OE2 3.35Å; K756-E759 IonicContact NZ-OE1 2.69Å; K756-E759 PolarHBondContact NZ-OE1 3.41Å; K756-E759 IonicContact NZ-OE2 3.95Å; K756-E759 PolarHBondContact NZ-OE2 3.48Å; K756-E759 WeakPolarHBondContact O-CB 3.16Å; K756-E759 PolarHBondContact O-N 3.12Å; K756-M760 WeakPolarHBondContact O-CG 3.49Å; K756-M760 PolarHBondContact O-N 3.11Å |
| 757 | R | 95.9 | Very high | 92.4 | Very high | 107 Ų | 107 | 61.7 Ų | 61.7 | 40% | 0.404 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.9 | -45.4 | 173.4 | -168.7 | -170 | 65.5 | 69.3 | 3.3 | 111.6 | G753 E754 M760 K761 | G753-R757 PolarHBondContact O-N 3.21Å; E754-R757 VanDerWaalsContact CD-NE 3.29Å; E754-R757 WeakPolarHBondContact O-CB 3.39Å; E754-R757 PolarHBondContact O-N 3.42Å; E754-R757 IonicContact OE1-CZ 3.74Å; E754-R757 IonicContact OE1-NE 2.7Å; E754-R757 PolarHBondContact OE1-NE 2.89Å; E754-R757 IonicContact OE2-CZ 2.91Å; E754-R757 IonicContact OE2-NE 3.83Å; E754-R757 PolarHBondContact OE2-NE 3.49Å; E754-R757 IonicContact OE2-NH2 2.81Å; E754-R757 PolarHBondContact OE2-NH2 2.92Å; R757-M760 PolarHBondContact O-N 3.3Å; R757-K761 WeakPolarHBondContact O-CB 2.97Å; R757-K761 PolarHBondContact O-N 3.33Å |
| 758 | L | 95.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 63.8 Ų | 63.8 | 1% | 0.01 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -63.8 | -40.2 | 175.6 | -72.2 | -174.1 | 0 | 0 | 0 | 112.3 | F424 D427 L428 L431 E754 L755 K761 W762 | F424-L758 HydrophobicContact CD2-CB 3.71Å; F424-L758 HydrophobicContact CE2-CB 3.48Å; F424-L758 VanDerWaalsContact CE2-CB 3.48Å; F424-L758 HydrophobicContact CZ-CB 4.33Å; D427-L758 HydrophobicContact CB-CD1 4.05Å; D427-L758 HydrophobicContact CB-CD2 3.67Å; L428-L758 HydrophobicContact CB-CD1 4.41Å; L431-L758 HydrophobicContact CD1-CD1 3.64Å; L431-L758 HydrophobicContact CD1-CG 4.14Å; E754-L758 PolarHBondContact O-N 3.48Å; L755-L758 PolarHBondContact O-N 2.85Å; L758-K761 PolarHBondContact O-N 3.29Å; L758-W762 VanDerWaalsContact O-CD1 3.23Å; L758-W762 PolarHBondContact O-N 3.15Å; L758-W762 VanDerWaalsContact O-N 3.08Å |
| 759 | E | 93.5 | Very high | 91.6 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 15% | 0.145 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.1 | -48.8 | 175.5 | -169.8 | -159.1 | 137.4 | 0 | 0 | 110.5 | F424 L496 L755 K756 K761 W762 W763 | F424-E759 HydrophobicContact CE2-CB 4.35Å; L496-E759 HydrophobicContact CD1-CG 4.18Å; L755-E759 PolarHBondContact O-N 3.4Å; K756-E759 HydrophobicContact CD-CB 4.46Å; K756-E759 WeakPolarHBondContact CD-OE2 3.35Å; K756-E759 IonicContact NZ-OE1 2.69Å; K756-E759 PolarHBondContact NZ-OE1 3.41Å; K756-E759 IonicContact NZ-OE2 3.95Å; K756-E759 PolarHBondContact NZ-OE2 3.48Å; K756-E759 WeakPolarHBondContact O-CB 3.16Å; K756-E759 PolarHBondContact O-N 3.12Å; E759-K761 VanDerWaalsContact C-N 3.35Å; E759-K761 PolarHBondContact O-N 3.06Å; E759-W762 PolarHBondContact O-N 2.84Å; E759-W763 HydrophobicContact CG-CD2 4.49Å; E759-W763 HydrophobicContact CG-CE3 4.19Å; E759-W763 WeakPolarHBondContact O-CB 3.47Å; E759-W763 PolarHBondContact O-N 3.1Å |
| 760 | M | 92.3 | Very high | 90.3 | Very high | 85 Ų | 85 | 67.8 Ų | 67.8 | 42% | 0.419 | 33% | 0.33 | S | S | . | . | I | π-helix | trans | -58.3 | -45.9 | 177.5 | -69.2 | -60.1 | -116.1 | 0 | 0 | 112.1 | K756 R757 W762 Y764 E765 | K756-M760 WeakPolarHBondContact O-CG 3.49Å; K756-M760 PolarHBondContact O-N 3.11Å; R757-M760 PolarHBondContact O-N 3.3Å; M760-W762 PolarHBondContact O-N 3.08Å; M760-Y764 WeakPolarHBondContact O-CA 3.47Å; M760-Y764 WeakPolarHBondContact O-CB 3.48Å; M760-Y764 PolarHBondContact O-N 2.96Å; M760-Y764 HydrophobicContact SD-CD2 3.69Å; M760-Y764 HydrophobicContact SD-CE2 4.06Å; M760-Y764 HydrophobicContact SD-CG 4.43Å; M760-E765 PolarHBondContact O-N 3.24Å |
| 761 | K | 94.7 | Very high | 88.7 | Confident | 51 Ų | 51 | 67.8 Ų | 67.8 | 22% | 0.222 | 33% | 0.33 | C | S | . | . | I | π-helix | trans | -55.4 | -50.9 | 176.8 | 179.5 | -174.4 | 175.3 | -170.1 | 0 | 112.6 | D427 R757 L758 E759 E765 K766 | D427-K761 IonicContact OD1-NZ 3.2Å; D427-K761 IonicContact OD2-NZ 2.67Å; D427-K761 PolarHBondContact OD2-NZ 3.49Å; R757-K761 WeakPolarHBondContact O-CB 2.97Å; R757-K761 PolarHBondContact O-N 3.33Å; L758-K761 PolarHBondContact O-N 3.29Å; E759-K761 VanDerWaalsContact C-N 3.35Å; E759-K761 PolarHBondContact O-N 3.06Å; K761-E765 WeakPolarHBondContact CA-OE2 3.31Å; K761-K766 WeakPolarHBondContact O-CB 3.19Å; K761-K766 WeakPolarHBondContact O-CG 3.43Å; K761-K766 PolarHBondContact O-N 2.81Å |
| 762 | W | 93.5 | Very high | 86.8 | Confident | 7 Ų | 7 | 62.9 Ų | 62.9 | 3% | 0.027 | 32% | 0.324 | C | S | . | . | I | π-helix | trans | -85.5 | -33.3 | -169 | -75.6 | 106.7 | 0 | 0 | 0 | 114.2 | P404 M407 E422 G423 F424 D427 R711 L758 E759 M760 K766 | P404-W762 HydrophobicContact CB-CB 4.21Å; P404-W762 HydrophobicContact CB-CE3 4.24Å; P404-W762 HydrophobicContact CG-CB 4.32Å; M407-W762 HydrophobicContact CE-CE3 4.04Å; M407-W762 HydrophobicContact CE-CH2 4.41Å; M407-W762 HydrophobicContact CE-CZ3 3.56Å; E422-W762 HydrophobicContact CB-CH2 3.94Å; E422-W762 HydrophobicContact CG-CH2 4.1Å; G423-W762 VanDerWaalsContact C-CZ2 3.43Å; G423-W762 VanDerWaalsContact CA-CH2 3.43Å; G423-W762 VanDerWaalsContact N-CZ2 3.28Å; F424-W762 HydrophobicContact CB-CB 4.4Å; F424-W762 HydrophobicContact CB-CG 4.06Å; D427-W762 WeakPolarHBondContact OD2-CZ2 3.49Å; D427-W762 PolarHBondContact OD2-NE1 3.45Å; R711-W762 PolarHBondContact NH2-O 3.39Å; L758-W762 VanDerWaalsContact O-CD1 3.23Å; L758-W762 PolarHBondContact O-N 3.15Å; L758-W762 VanDerWaalsContact O-N 3.08Å; E759-W762 PolarHBondContact O-N 2.84Å; M760-W762 PolarHBondContact O-N 3.08Å; W762-K766 HydrophobicContact CD2-CD 4.43Å; W762-K766 HydrophobicContact CE3-CD 3.77Å; W762-K766 HydrophobicContact CH2-CD 4.32Å; W762-K766 HydrophobicContact CZ3-CD 3.71Å; W762-K766 VanDerWaalsContact CZ3-NZ 3.25Å |
| 763 | W | 92.1 | Very high | 84.3 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | I | π-helix | trans | -87.6 | -37.9 | 179.8 | -85 | -106.1 | 0 | 0 | 0 | 113 | P404 F405 F424 L496 T703 T710 E759 | P404-W763 HydrophobicContact CG-CD2 4.02Å; P404-W763 HydrophobicContact CG-CE3 3.95Å; P404-W763 HydrophobicContact CG-CH2 3.57Å; P404-W763 HydrophobicContact CG-CZ2 3.63Å; P404-W763 HydrophobicContact CG-CZ3 3.73Å; F405-W763 HydrophobicContact CD1-CH2 4.23Å; F405-W763 AromaticContact CE1-CH2 3.64Å; F405-W763 HydrophobicContact CE1-CH2 3.64Å; F405-W763 HydrophobicContact CE1-CZ2 4.15Å; F405-W763 HydrophobicContact CE2-CH2 4.08Å; F405-W763 AromaticContact CE2-CZ2 3.89Å; F405-W763 HydrophobicContact CE2-CZ2 3.89Å; F405-W763 AromaticContact CZ-CH2 3.53Å; F405-W763 HydrophobicContact CZ-CH2 3.53Å; F405-W763 AromaticContact CZ-CZ2 3.54Å; F405-W763 HydrophobicContact CZ-CZ2 3.54Å; F424-W763 HydrophobicContact CB-CH2 4.29Å; F424-W763 HydrophobicContact CB-CZ3 3.91Å; F424-W763 HydrophobicContact CD2-CH2 4.35Å; F424-W763 AromaticContact CD2-CZ3 3.59Å; F424-W763 HydrophobicContact CD2-CZ3 3.59Å; F424-W763 HydrophobicContact CE2-CZ3 4.33Å; F424-W763 HydrophobicContact CG-CH2 4.29Å; F424-W763 AromaticContact CG-CZ3 3.88Å; F424-W763 HydrophobicContact CG-CZ3 3.88Å; L496-W763 HydrophobicContact CD2-CH2 4.04Å; L496-W763 HydrophobicContact CD2-CZ2 4.3Å; T703-W763 HydrophobicContact CG2-CZ2 4.38Å; T703-W763 PolarHBondContact O-NE1 3.31Å; T710-W763 WeakPolarHBondContact CB-O 3.2Å; T710-W763 WeakPolarHBondContact CG2-O 3.47Å; T710-W763 PolarHBondContact OG1-O 3.49Å; E759-W763 HydrophobicContact CG-CD2 4.49Å; E759-W763 HydrophobicContact CG-CE3 4.19Å; E759-W763 WeakPolarHBondContact O-CB 3.47Å; E759-W763 PolarHBondContact O-N 3.1Å |
| 764 | Y | 89.1 | Confident | 82 | Confident | 69 Ų | 69 | 67.5 Ų | 67.5 | 27% | 0.271 | 35% | 0.346 | S | S | . | . | I | π-helix | trans | -114.4 | -59.4 | -166.3 | -60.5 | -79.8 | 0 | 0 | 0 | 112 | T710 M760 K766 G767 Q771 | T710-Y764 HydrophobicContact CG2-CD1 4.36Å; M760-Y764 WeakPolarHBondContact O-CA 3.47Å; M760-Y764 WeakPolarHBondContact O-CB 3.48Å; M760-Y764 PolarHBondContact O-N 2.96Å; M760-Y764 HydrophobicContact SD-CD2 3.69Å; M760-Y764 HydrophobicContact SD-CE2 4.06Å; M760-Y764 HydrophobicContact SD-CG 4.43Å; Y764-K766 VanDerWaalsContact C-N 3.35Å; Y764-K766 PolarHBondContact O-N 2.84Å; Y764-G767 WeakPolarHBondContact O-CA 3.33Å; Y764-G767 PolarHBondContact O-N 3.48Å; Y764-Q771 VanDerWaalsContact CB-NE2 3.29Å; Y764-Q771 PolarHBondContact O-NE2 3.44Å |
| 765 | E | 87.2 | Confident | 79.3 | Confident | 135 Ų | 135 | 71.4 Ų | 71.4 | 63% | 0.631 | 37% | 0.369 | S | S | * | . | I | π-helix | trans | -61.3 | -42.4 | -175.6 | -63.2 | 174.2 | -174.7 | 0 | 0 | 112.3 | M760 K761 G767 | M760-E765 PolarHBondContact O-N 3.24Å; K761-E765 WeakPolarHBondContact CA-OE2 3.31Å; E765-G767 PolarHBondContact O-N 3.13Å |
| 766 | K | 86.9 | Confident | 76.8 | Confident | 86 Ų | 86 | 76.7 Ų | 76.7 | 37% | 0.374 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.1 | 6.9 | 172.1 | -74 | -170.3 | 167 | -168.6 | 0 | 113.3 | E422 R711 K761 W762 Y764 | E422-K766 IonicContact OE2-NZ 3.96Å; E422-K766 PolarHBondContact OE2-NZ 3.14Å; E422-K766 VanDerWaalsContact OE2-NZ 3.14Å; R711-K766 PolarHBondContact NH1-O 2.86Å; R711-K766 PolarHBondContact NH2-O 3.37Å; K761-K766 WeakPolarHBondContact O-CB 3.19Å; K761-K766 WeakPolarHBondContact O-CG 3.43Å; K761-K766 PolarHBondContact O-N 2.81Å; W762-K766 HydrophobicContact CD2-CD 4.43Å; W762-K766 HydrophobicContact CE3-CD 3.77Å; W762-K766 HydrophobicContact CH2-CD 4.32Å; W762-K766 HydrophobicContact CZ3-CD 3.71Å; W762-K766 VanDerWaalsContact CZ3-NZ 3.25Å; Y764-K766 VanDerWaalsContact C-N 3.35Å; Y764-K766 PolarHBondContact O-N 2.84Å |
| 767 | G | 84.4 | Confident | 74.5 | Confident | 23 Ų | 23 | 79.8 Ų | 79.8 | 24% | 0.237 | 42% | 0.423 | C | S | . | . | trans | -61.5 | 153.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y764 E765 | Y764-G767 WeakPolarHBondContact O-CA 3.33Å; Y764-G767 PolarHBondContact O-N 3.48Å; E765-G767 PolarHBondContact O-N 3.13Å | ||
| 768 | Q | 86.4 | Confident | 72.2 | Confident | 100 Ų | 100 | 78.7 Ų | 78.7 | 47% | 0.467 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -102 | -2.9 | 177.6 | -60.8 | 170.6 | -17.2 | 0 | 0 | 112.7 | T710 K712 | T710-Q768 PolarHBondContact O-N 3.25Å; K712-Q768 HydrophobicContact CD-CB 4.47Å; K712-Q768 HydrophobicContact CG-CB 3.95Å |
| 769 | C | 82.1 | Confident | 70.2 | Confident | 21 Ų | 21 | 83.9 Ų | 83.9 | 14% | 0.142 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -108 | 138.4 | -178.2 | -55.5 | 0 | 0 | 0 | 0 | 109 | T710 R711 C714 Q771 | T710-C769 PolarHBondContact O-N 2.91Å; T710-C769 PolarHBondContact O-SG 3.49Å; R711-C769 VanDerWaalsContact C-SG 3.58Å; C714-C769 VanDerWaalsContact CA-SG 3.55Å; C714-C769 HydrophobicContact CB-CB 3.77Å; C714-C769 WeakPolarHBondContact CB-SG 3.36Å; C714-C769 VanDerWaalsContact SG-CA 3.5Å; C714-C769 WeakPolarHBondContact SG-CB 3.22Å; C714-C769 CovalentContact SG-SG 2Å; C714-C769 PolarHBondContact SG-SG 2.87Å; C769-Q771 PolarHBondContact O-N 3.26Å |
| 770 | D | 69.1 | Low | 68.6 | Low | 147 Ų | 147 | 86 Ų | 86 | 79% | 0.786 | 49% | 0.493 | S | S | * | . | trans | -62.2 | 124.2 | 175.8 | -60 | -30.9 | 0 | 0 | 0 | 109.3 | G772 | D770-G772 PolarHBondContact O-N 3.42Š| ||
| 771 | Q | 58 | Low | 67.2 | Low | 107 Ų | 107 | 87.4 Ų | 87.4 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | trans | -74.4 | 17.9 | -177.6 | -67 | -178.1 | 25.3 | 0 | 0 | 113.6 | Y764 C769 I773 | Y764-Q771 VanDerWaalsContact CB-NE2 3.29Å; Y764-Q771 PolarHBondContact O-NE2 3.44Å; C769-Q771 PolarHBondContact O-N 3.26Å; Q771-I773 PolarHBondContact O-N 3.29Å | ||
| 772 | G | 52.4 | Low | 66 | Low | 61 Ų | 61 | 88 Ų | 88 | 63% | 0.629 | 51% | 0.509 | S | S | * | . | S | Bend | trans | 70.9 | 2.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | D770 | D770-G772 PolarHBondContact O-N 3.42Š|
| 773 | I | 42.2 | Very low | 65 | Low | 145 Ų | 145 | 93.7 Ų | 93.7 | 74% | 0.744 | 54% | 0.54 | S | S | * | . | trans | -92.9 | 32.4 | 159.5 | -33.5 | 174.3 | 0 | 0 | 0 | 109.5 | Q771 D775 | Q771-I773 PolarHBondContact O-N 3.29Å; I773-D775 PolarHBondContact O-N 3.23Å; I773-D775 VanDerWaalsContact O-N 3.14Å | ||
| 774 | S | 43.2 | Very low | 63.9 | Low | 74 Ų | 74 | 97.1 Ų | 97.1 | 52% | 0.517 | 56% | 0.564 | S | S | . | * | S | Bend | trans | -52.8 | 124.2 | 145.3 | 52 | 0 | 0 | 0 | 0 | 104.3 | S776 | S774-S776 PolarHBondContact O-N 2.97Š|
| 775 | D | 40.3 | Very low | 63 | Low | 132 Ų | 132 | 96.2 Ų | 96.2 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | trans | -28.9 | 137.4 | 164.6 | -75.8 | -47.4 | 0 | 0 | 0 | 108.1 | I773 Q777 | I773-D775 PolarHBondContact O-N 3.23Å; I773-D775 VanDerWaalsContact O-N 3.14Å; D775-Q777 PolarHBondContact O-N 3.45Å | ||
| 776 | S | 42.3 | Very low | 62.5 | Low | 120 Ų | 120 | 91.2 Ų | 91.2 | 84% | 0.839 | 54% | 0.54 | S | S | * | . | trans | -56.1 | 70.9 | 160.8 | 54.5 | 0 | 0 | 0 | 0 | 108.4 | S774 S778 | S774-S776 PolarHBondContact O-N 2.97Å; S776-S778 PolarHBondContact O-N 2.86Å | ||
| 777 | Q | 44.1 | Very low | 62.4 | Low | 172 Ų | 172 | 87.7 Ų | 87.7 | 80% | 0.804 | 53% | 0.527 | S | S | * | . | trans | -56.9 | 94.5 | 150.4 | -75.8 | -169.4 | -4.3 | 0 | 0 | 100.6 | D775 A779 | D775-Q777 PolarHBondContact O-N 3.45Å; Q777-A779 PolarHBondContact O-N 3.4Å | ||
| 778 | S | 46 | Very low | 62.4 | Low | 84 Ų | 84 | 86.6 Ų | 86.6 | 59% | 0.587 | 52% | 0.516 | S | S | * | . | trans | -6.4 | 116.8 | 168.8 | 49.5 | 0 | 0 | 0 | 0 | 109.7 | S776 S780 | S776-S778 PolarHBondContact O-N 2.86Å; S778-S780 PolarHBondContact O-N 3.4Å; S778-S780 PolarHBondContact O-OG 3.5Å | ||
| 779 | A | 55.4 | Low | 62.5 | Low | 111 Ų | 111 | 86.1 Ų | 86.1 | 92% | 0.917 | 52% | 0.515 | S | S | * | . | trans | -60.5 | 66.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | Q777 | Q777-A779 PolarHBondContact O-N 3.4Š| ||
| 780 | S | 59.9 | Low | 62.8 | Low | 76 Ų | 76 | 90.5 Ų | 90.5 | 53% | 0.531 | 53% | 0.532 | S | S | . | . | trans | -75.3 | 135.5 | -177.5 | 54.5 | 0 | 0 | 0 | 0 | 105.3 | S778 T782 | S778-S780 PolarHBondContact O-N 3.4Å; S778-S780 PolarHBondContact O-OG 3.5Å; S780-T782 PolarHBondContact O-N 2.98Å | ||
| 781 | L | 62.7 | Low | 63.8 | Low | 113 Ų | 113 | 90.2 Ų | 90.2 | 59% | 0.592 | 52% | 0.521 | S | S | * | . | trans | -63.7 | 106.4 | 176 | -75.6 | 162 | 0 | 0 | 0 | 107.8 | L620 V786 | L620-L781 HydrophobicContact CD1-CD2 4.27Å; L620-L781 HydrophobicContact CD2-CD2 4.32Å; L781-V786 HydrophobicContact CB-CG2 3.75Å; L781-V786 HydrophobicContact CD2-CG2 4.16Å; L781-V786 HydrophobicContact CG-CG2 4.38Å | ||
| 782 | T | 68.3 | Low | 65.3 | Low | 64 Ų | 64 | 89.5 Ų | 89.5 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | trans | -71.7 | 152.4 | 177.6 | 55.7 | 0 | 0 | 0 | 0 | 110.4 | S780 S784 K785 V786 | S780-T782 PolarHBondContact O-N 2.98Å; T782-S784 PolarHBondContact O-N 3.4Å; T782-S784 VanDerWaalsContact O-N 3.12Å; T782-S784 PolarHBondContact OG1-OG 2.84Å; T782-K785 PolarHBondContact O-N 2.89Å; T782-V786 PolarHBondContact O-N 3.4Å | ||
| 783 | L | 73 | Confident | 67.1 | Low | 126 Ų | 126 | 91.7 Ų | 91.7 | 66% | 0.66 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -53.7 | -36.6 | 179 | -177.2 | 63.5 | 0 | 0 | 0 | 111.6 | K785 V786 A787 F790 | L783-K785 VanDerWaalsContact C-N 3.27Å; L783-K785 PolarHBondContact O-N 3.17Å; L783-V786 CarbonylContact O-C 3.52Å; L783-V786 PolarHBondContact O-N 3.42Å; L783-V786 VanDerWaalsContact O-N 3.13Å; L783-A787 WeakPolarHBondContact O-CA 3.18Å; L783-A787 WeakPolarHBondContact O-CB 3.41Å; L783-A787 PolarHBondContact O-N 2.91Å; L783-F790 HydrophobicContact CD1-CD2 4.09Å; L783-F790 HydrophobicContact CD1-CE2 4.09Å |
| 784 | S | 69 | Low | 69.5 | Low | 74 Ų | 74 | 87.7 Ų | 87.7 | 52% | 0.517 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -57.7 | -34.4 | 174.6 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | T782 | T782-S784 PolarHBondContact O-N 3.4Å; T782-S784 VanDerWaalsContact O-N 3.12Å; T782-S784 PolarHBondContact OG1-OG 2.84Å |
| 785 | K | 70.2 | Confident | 71.9 | Confident | 49 Ų | 49 | 85.7 Ų | 85.7 | 21% | 0.213 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -78.4 | -25 | 178.8 | -66.9 | -175.3 | -179.1 | -173.5 | 0 | 112.3 | I512 T782 L783 | I512-K785 HydrophobicContact CD1-CD 4.12Å; I512-K785 VanDerWaalsContact CD1-CE 3.48Å; I512-K785 HydrophobicContact CD1-CG 3.81Å; I512-K785 HydrophobicContact CG2-CG 4.44Å; T782-K785 PolarHBondContact O-N 2.89Å; L783-K785 VanDerWaalsContact C-N 3.27Å; L783-K785 PolarHBondContact O-N 3.17Å |
| 786 | V | 77.3 | Confident | 74.4 | Confident | 31 Ų | 31 | 81.2 Ų | 81.2 | 19% | 0.188 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -115.2 | -7.7 | -170.4 | -168 | 0 | 0 | 0 | 0 | 113.1 | L781 T782 L783 G788 I789 F790 | L781-V786 HydrophobicContact CB-CG2 3.75Å; L781-V786 HydrophobicContact CD2-CG2 4.16Å; L781-V786 HydrophobicContact CG-CG2 4.38Å; T782-V786 PolarHBondContact O-N 3.4Å; L783-V786 CarbonylContact O-C 3.52Å; L783-V786 PolarHBondContact O-N 3.42Å; L783-V786 VanDerWaalsContact O-N 3.13Å; V786-G788 PolarHBondContact O-N 3.47Å; V786-G788 VanDerWaalsContact O-N 3.09Å; V786-I789 HydrophobicContact CG1-CB 4.13Å; V786-I789 HydrophobicContact CG1-CD1 3.7Å; V786-I789 HydrophobicContact CG1-CG1 3.98Å; V786-I789 WeakPolarHBondContact O-CB 3.45Å; V786-I789 PolarHBondContact O-N 3.29Å; V786-F790 HydrophobicContact CG1-CD2 4.45Å; V786-F790 HydrophobicContact CG1-CE2 4.05Å |
| 787 | A | 83 | Confident | 76.9 | Confident | 12 Ų | 12 | 80.8 Ų | 80.8 | 10% | 0.099 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -53.4 | -37.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | I514 L783 I789 F790 Y791 | I514-A787 HydrophobicContact CG2-CB 4.41Å; L783-A787 WeakPolarHBondContact O-CA 3.18Å; L783-A787 WeakPolarHBondContact O-CB 3.41Å; L783-A787 PolarHBondContact O-N 2.91Å; A787-I789 PolarHBondContact O-N 3.49Å; A787-F790 PolarHBondContact O-N 2.86Å; A787-F790 VanDerWaalsContact O-N 3.08Å; A787-Y791 HydrophobicContact CB-CE2 4.17Å; A787-Y791 WeakPolarHBondContact O-CD2 3.41Å; A787-Y791 PolarHBondContact O-N 2.83Å |
| 788 | G | 84.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -60.2 | -30.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | I514 V786 Y791 I792 | I514-G788 VanDerWaalsContact O-CA 3.23Å; I514-G788 WeakPolarHBondContact O-CA 3.22Å; I514-G788 PolarHBondContact O-N 3.43Å; V786-G788 PolarHBondContact O-N 3.47Å; V786-G788 VanDerWaalsContact O-N 3.09Å; G788-Y791 PolarHBondContact O-N 3.42Å; G788-I792 WeakPolarHBondContact O-CG1 3.18Å; G788-I792 PolarHBondContact O-N 3.34Å |
| 789 | I | 88.1 | Confident | 81.6 | Confident | 89 Ų | 89 | 78.7 Ų | 78.7 | 46% | 0.456 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -66.2 | -42.1 | 175.4 | -51.6 | -169.3 | 0 | 0 | 0 | 110.3 | F517 V786 A787 I792 L793 | F517-I789 HydrophobicContact CD1-CG1 3.97Å; F517-I789 HydrophobicContact CE1-CG1 4.15Å; F517-I789 HydrophobicContact CG-CG1 4.33Å; V786-I789 HydrophobicContact CG1-CB 4.13Å; V786-I789 HydrophobicContact CG1-CD1 3.7Å; V786-I789 HydrophobicContact CG1-CG1 3.98Å; V786-I789 WeakPolarHBondContact O-CB 3.45Å; V786-I789 PolarHBondContact O-N 3.29Å; A787-I789 PolarHBondContact O-N 3.49Å; I789-I792 PolarHBondContact O-N 2.91Å; I789-L793 PolarHBondContact O-N 3.45Å |
| 790 | F | 89.1 | Confident | 83.4 | Confident | 114 Ų | 114 | 76 Ų | 76 | 50% | 0.5 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.6 | -34.8 | 176.2 | -68.6 | -79.6 | 0 | 0 | 0 | 112.3 | L783 V786 A787 L793 S794 | L783-F790 HydrophobicContact CD1-CD2 4.09Å; L783-F790 HydrophobicContact CD1-CE2 4.09Å; V786-F790 HydrophobicContact CG1-CD2 4.45Å; V786-F790 HydrophobicContact CG1-CE2 4.05Å; A787-F790 PolarHBondContact O-N 2.86Å; A787-F790 VanDerWaalsContact O-N 3.08Å; F790-L793 PolarHBondContact O-N 3Å; F790-S794 WeakPolarHBondContact O-CB 3.49Å; F790-S794 PolarHBondContact O-N 3.35Å; F790-S794 PolarHBondContact O-OG 3.47Å |
| 791 | Y | 89.9 | Confident | 85 | Confident | 140 Ų | 140 | 78.1 Ų | 78.1 | 55% | 0.549 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 174.1 | -65.1 | -37.4 | 0 | 0 | 0 | 112.3 | I514 A787 G788 S794 G795 | I514-Y791 HydrophobicContact CD1-CD2 4.13Å; I514-Y791 HydrophobicContact CD1-CE2 3.99Å; A787-Y791 HydrophobicContact CB-CE2 4.17Å; A787-Y791 WeakPolarHBondContact O-CD2 3.41Å; A787-Y791 PolarHBondContact O-N 2.83Å; G788-Y791 PolarHBondContact O-N 3.42Å; Y791-S794 PolarHBondContact O-N 3.02Å; Y791-G795 PolarHBondContact O-N 2.96Å |
| 792 | I | 89.2 | Confident | 86.5 | Confident | 93 Ų | 93 | 77.2 Ų | 77.2 | 48% | 0.477 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.5 | -45.8 | 175.1 | -70.6 | 177.8 | 0 | 0 | 0 | 110.8 | F515 F517 G788 I789 S794 G795 G796 | F515-I792 HydrophobicContact CE1-CD1 4.47Å; F515-I792 HydrophobicContact CE1-CG1 4.41Å; F517-I792 HydrophobicContact CE2-CD1 3.99Å; F517-I792 HydrophobicContact CZ-CD1 3.46Å; F517-I792 VanDerWaalsContact CZ-CD1 3.46Å; G788-I792 WeakPolarHBondContact O-CG1 3.18Å; G788-I792 PolarHBondContact O-N 3.34Å; I789-I792 PolarHBondContact O-N 2.91Å; I792-S794 PolarHBondContact O-N 3.24Å; I792-G795 PolarHBondContact O-N 2.92Å; I792-G796 PolarHBondContact O-N 2.8Å |
| 793 | L | 91.7 | Very high | 87.7 | Confident | 106 Ų | 106 | 81 Ų | 81 | 56% | 0.555 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59 | -49.1 | 176.6 | 179.5 | 63.8 | 0 | 0 | 0 | 111.4 | I789 F790 G795 G796 M797 | I789-L793 PolarHBondContact O-N 3.45Å; F790-L793 PolarHBondContact O-N 3Å; L793-G795 PolarHBondContact O-N 3.39Å; L793-G796 PolarHBondContact O-N 3.48Å; L793-M797 HydrophobicContact CD1-CG 4.3Å; L793-M797 WeakPolarHBondContact O-CG 2.99Å; L793-M797 PolarHBondContact O-N 3.16Å |
| 794 | S | 92.5 | Very high | 88.6 | Confident | 62 Ų | 62 | 77.5 Ų | 77.5 | 43% | 0.434 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.6 | -45.2 | -179.9 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | F790 Y791 I792 G796 M797 I798 | F790-S794 WeakPolarHBondContact O-CB 3.49Å; F790-S794 PolarHBondContact O-N 3.35Å; F790-S794 PolarHBondContact O-OG 3.47Å; Y791-S794 PolarHBondContact O-N 3.02Å; I792-S794 PolarHBondContact O-N 3.24Å; S794-G796 PolarHBondContact O-N 2.82Å; S794-M797 PolarHBondContact O-N 3.17Å; S794-I798 VanDerWaalsContact O-CG1 3.27Å; S794-I798 WeakPolarHBondContact O-CG1 3.4Å; S794-I798 PolarHBondContact O-N 3.23Å |
| 795 | G | 93.8 | Very high | 89.7 | Confident | 32 Ų | 32 | 80.9 Ų | 80.9 | 33% | 0.33 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y791 I792 L793 I798 L799 | Y791-G795 PolarHBondContact O-N 2.96Å; I792-G795 PolarHBondContact O-N 2.92Å; L793-G795 PolarHBondContact O-N 3.39Å; G795-I798 PolarHBondContact O-N 2.9Å; G795-L799 WeakPolarHBondContact O-CB 3.29Å; G795-L799 WeakPolarHBondContact O-CG 3.34Å; G795-L799 PolarHBondContact O-N 3.37Å |
| 796 | G | 92.8 | Very high | 90.7 | Very high | 38 Ų | 38 | 82.1 Ų | 82.1 | 39% | 0.392 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.9 | -44.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | I792 L793 S794 L799 A800 | I792-G796 PolarHBondContact O-N 2.8Å; L793-G796 PolarHBondContact O-N 3.48Å; S794-G796 PolarHBondContact O-N 2.82Å; G796-L799 PolarHBondContact O-N 2.86Å; G796-A800 WeakPolarHBondContact O-CB 3.04Å; G796-A800 PolarHBondContact O-N 2.84Å |
| 797 | M | 94.5 | Very high | 91.3 | Very high | 110 Ų | 110 | 85.5 Ų | 85.5 | 54% | 0.542 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 177.6 | -69.3 | -56.5 | -64.3 | 0 | 0 | 112.4 | L793 S794 A800 M801 | L793-M797 HydrophobicContact CD1-CG 4.3Å; L793-M797 WeakPolarHBondContact O-CG 2.99Å; L793-M797 PolarHBondContact O-N 3.16Å; S794-M797 PolarHBondContact O-N 3.17Å; M797-A800 PolarHBondContact O-N 2.89Å; M797-M801 WeakPolarHBondContact O-CG 3.21Å; M797-M801 PolarHBondContact O-N 2.92Å |
| 798 | I | 95 | Very high | 91.4 | Very high | 92 Ų | 92 | 87.2 Ų | 87.2 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.9 | -45.4 | 175.3 | -68.5 | 165.9 | 0 | 0 | 0 | 110.5 | S794 G795 A800 M801 L802 | S794-I798 VanDerWaalsContact O-CG1 3.27Å; S794-I798 WeakPolarHBondContact O-CG1 3.4Å; S794-I798 PolarHBondContact O-N 3.23Å; G795-I798 PolarHBondContact O-N 2.9Å; I798-A800 VanDerWaalsContact C-N 3.33Å; I798-A800 PolarHBondContact O-N 3.43Å; I798-M801 HydrophobicContact CG1-CE 4.21Å; I798-M801 PolarHBondContact O-N 3.39Å; I798-L802 HydrophobicContact CG2-CD1 3.89Å; I798-L802 HydrophobicContact CG2-CG 4.28Å; I798-L802 WeakPolarHBondContact O-CB 3.33Å; I798-L802 VanDerWaalsContact O-CG 3.3Å; I798-L802 WeakPolarHBondContact O-CG 3.34Å; I798-L802 PolarHBondContact O-N 2.82Å |
| 799 | L | 94.3 | Very high | 91.5 | Very high | 121 Ų | 121 | 92.7 Ų | 92.7 | 63% | 0.634 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -59.8 | -43.1 | 175.8 | -78.4 | 164.7 | 0 | 0 | 0 | 111.7 | G795 G796 L802 Y803 | G795-L799 WeakPolarHBondContact O-CB 3.29Å; G795-L799 WeakPolarHBondContact O-CG 3.34Å; G795-L799 PolarHBondContact O-N 3.37Å; G796-L799 PolarHBondContact O-N 2.86Å; L799-L802 PolarHBondContact O-N 3.46Å; L799-Y803 VanDerWaalsContact O-CB 3.26Å; L799-Y803 WeakPolarHBondContact O-CB 3.35Å; L799-Y803 PolarHBondContact O-N 2.86Å |
| 800 | A | 93.4 | Very high | 91.4 | Very high | 55 Ų | 55 | 93.4 Ų | 93.4 | 46% | 0.455 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.5 | -43.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | G796 M797 I798 Y803 A804 | G796-A800 WeakPolarHBondContact O-CB 3.04Å; G796-A800 PolarHBondContact O-N 2.84Å; M797-A800 PolarHBondContact O-N 2.89Å; I798-A800 VanDerWaalsContact C-N 3.33Å; I798-A800 PolarHBondContact O-N 3.43Å; A800-Y803 PolarHBondContact O-N 3.31Å; A800-A804 VanDerWaalsContact O-CB 3.31Å; A800-A804 WeakPolarHBondContact O-CB 3.42Å; A800-A804 PolarHBondContact O-N 3.36Å |
| 801 | M | 93.5 | Very high | 91.2 | Very high | 119 Ų | 119 | 94.7 Ų | 94.7 | 59% | 0.586 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 176 | -75.2 | -171.8 | -67 | 0 | 0 | 112.4 | M797 I798 A804 F805 | M797-M801 WeakPolarHBondContact O-CG 3.21Å; M797-M801 PolarHBondContact O-N 2.92Å; I798-M801 HydrophobicContact CG1-CE 4.21Å; I798-M801 PolarHBondContact O-N 3.39Å; M801-A804 PolarHBondContact O-N 2.76Å; M801-F805 VanDerWaalsContact O-CB 3.31Å; M801-F805 WeakPolarHBondContact O-CB 3.3Å; M801-F805 PolarHBondContact O-N 3.26Å |
| 802 | L | 93.9 | Very high | 90.8 | Very high | 95 Ų | 95 | 92.7 Ų | 92.7 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.3 | -73.7 | 173 | 0 | 0 | 0 | 111.1 | I798 L799 F805 I806 | I798-L802 HydrophobicContact CG2-CD1 3.89Å; I798-L802 HydrophobicContact CG2-CG 4.28Å; I798-L802 WeakPolarHBondContact O-CB 3.33Å; I798-L802 VanDerWaalsContact O-CG 3.3Å; I798-L802 WeakPolarHBondContact O-CG 3.34Å; I798-L802 PolarHBondContact O-N 2.82Å; L799-L802 PolarHBondContact O-N 3.46Å; L802-F805 WeakPolarHBondContact O-CB 3.47Å; L802-F805 PolarHBondContact O-N 3.3Å; L802-I806 VanDerWaalsContact O-CG1 3.23Å; L802-I806 WeakPolarHBondContact O-CG1 3.34Å; L802-I806 PolarHBondContact O-N 3.35Å |
| 803 | Y | 92.7 | Very high | 90.3 | Very high | 143 Ų | 143 | 95.3 Ų | 95.3 | 56% | 0.561 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -63.9 | -45.9 | 177.3 | -172.3 | -98 | 0 | 0 | 0 | 111.3 | L799 A800 F805 I806 E807 | L799-Y803 VanDerWaalsContact O-CB 3.26Å; L799-Y803 WeakPolarHBondContact O-CB 3.35Å; L799-Y803 PolarHBondContact O-N 2.86Å; A800-Y803 PolarHBondContact O-N 3.31Å; Y803-F805 VanDerWaalsContact C-N 3.3Å; Y803-F805 PolarHBondContact O-N 2.97Å; Y803-I806 WeakPolarHBondContact O-CB 3.48Å; Y803-I806 PolarHBondContact O-N 2.73Å; Y803-I806 VanDerWaalsContact O-N 3.13Å; Y803-E807 HydrophobicContact CD1-CG 4.2Å; Y803-E807 HydrophobicContact CE1-CG 3.82Å; Y803-E807 WeakPolarHBondContact CE1-OE1 3.46Å; Y803-E807 WeakPolarHBondContact O-CG 3.26Å; Y803-E807 PolarHBondContact O-N 3.02Å; Y803-E807 PolarHBondContact OH-OE1 3.27Å; Y803-E807 VanDerWaalsContact OH-OE1 3.1Å |
| 804 | A | 91.7 | Very high | 89.5 | Confident | 53 Ų | 53 | 97.7 Ų | 97.7 | 44% | 0.438 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.4 | -38.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A800 M801 E807 A808 | A800-A804 VanDerWaalsContact O-CB 3.31Å; A800-A804 WeakPolarHBondContact O-CB 3.42Å; A800-A804 PolarHBondContact O-N 3.36Å; M801-A804 PolarHBondContact O-N 2.76Å; A804-E807 PolarHBondContact O-N 2.81Å; A804-A808 VanDerWaalsContact O-CB 3.24Å; A804-A808 WeakPolarHBondContact O-CB 3.49Å; A804-A808 PolarHBondContact O-N 2.8Å |
| 805 | F | 91.6 | Very high | 88.7 | Confident | 145 Ų | 145 | 98.7 Ų | 98.7 | 64% | 0.636 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -65.5 | -41.1 | 174.5 | -175.1 | -95.7 | 0 | 0 | 0 | 111.8 | M801 L802 Y803 A808 W809 | M801-F805 VanDerWaalsContact O-CB 3.31Å; M801-F805 WeakPolarHBondContact O-CB 3.3Å; M801-F805 PolarHBondContact O-N 3.26Å; L802-F805 WeakPolarHBondContact O-CB 3.47Å; L802-F805 PolarHBondContact O-N 3.3Å; Y803-F805 VanDerWaalsContact C-N 3.3Å; Y803-F805 PolarHBondContact O-N 2.97Å; F805-A808 PolarHBondContact O-N 3.42Å; F805-W809 WeakPolarHBondContact O-CB 3.3Å; F805-W809 PolarHBondContact O-N 3.27Å |
| 806 | I | 91.7 | Very high | 87.4 | Confident | 75 Ų | 75 | 104.4 Ų | 104.4 | 39% | 0.385 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -44.8 | 174.9 | -69.3 | 162.6 | 0 | 0 | 0 | 110.6 | L802 Y803 W809 H810 | L802-I806 VanDerWaalsContact O-CG1 3.23Å; L802-I806 WeakPolarHBondContact O-CG1 3.34Å; L802-I806 PolarHBondContact O-N 3.35Å; Y803-I806 WeakPolarHBondContact O-CB 3.48Å; Y803-I806 PolarHBondContact O-N 2.73Å; Y803-I806 VanDerWaalsContact O-N 3.13Å; I806-W809 PolarHBondContact O-N 3.34Å; I806-H810 WeakPolarHBondContact O-CB 3.32Å; I806-H810 PolarHBondContact O-N 3.17Å |
| 807 | E | 89.5 | Confident | 85.9 | Confident | 101 Ų | 101 | 105.9 Ų | 105.9 | 47% | 0.472 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -46.1 | 176.6 | -73.4 | -170.5 | 150 | 0 | 0 | 111.9 | Y803 A804 W809 H810 K811 | Y803-E807 HydrophobicContact CD1-CG 4.2Å; Y803-E807 HydrophobicContact CE1-CG 3.82Å; Y803-E807 WeakPolarHBondContact CE1-OE1 3.46Å; Y803-E807 WeakPolarHBondContact O-CG 3.26Å; Y803-E807 PolarHBondContact O-N 3.02Å; Y803-E807 PolarHBondContact OH-OE1 3.27Å; Y803-E807 VanDerWaalsContact OH-OE1 3.1Å; A804-E807 PolarHBondContact O-N 2.81Å; E807-W809 VanDerWaalsContact C-N 3.32Å; E807-W809 PolarHBondContact O-N 2.67Å; E807-H810 PolarHBondContact O-N 3.03Å; E807-K811 WeakPolarHBondContact O-CB 3.24Å; E807-K811 PolarHBondContact O-N 3.37Å |
| 808 | A | 86.3 | Confident | 84.2 | Confident | 48 Ų | 48 | 106.1 Ų | 106.1 | 40% | 0.397 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.2 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A804 F805 K811 L812 | A804-A808 VanDerWaalsContact O-CB 3.24Å; A804-A808 WeakPolarHBondContact O-CB 3.49Å; A804-A808 PolarHBondContact O-N 2.8Å; F805-A808 PolarHBondContact O-N 3.42Å; A808-K811 PolarHBondContact O-N 2.84Å; A808-L812 WeakPolarHBondContact O-CB 3.12Å; A808-L812 WeakPolarHBondContact O-CG 3.45Å; A808-L812 PolarHBondContact O-N 3.35Å |
| 809 | W | 86.8 | Confident | 82.3 | Confident | 116 Ų | 116 | 111 Ų | 111 | 44% | 0.439 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -66.9 | -42.7 | 177.5 | -178.2 | 47.5 | 0 | 0 | 0 | 112.4 | F805 I806 E807 K811 L812 R813 | F805-W809 WeakPolarHBondContact O-CB 3.3Å; F805-W809 PolarHBondContact O-N 3.27Å; I806-W809 PolarHBondContact O-N 3.34Å; E807-W809 VanDerWaalsContact C-N 3.32Å; E807-W809 PolarHBondContact O-N 2.67Å; W809-K811 VanDerWaalsContact C-N 3.34Å; W809-L812 PolarHBondContact O-N 3.27Å; W809-R813 VanDerWaalsContact CZ2-CZ 3.41Å; W809-R813 WeakPolarHBondContact O-CB 3.39Å; W809-R813 PolarHBondContact O-N 3.24Å |
| 810 | H | 85.5 | Confident | 80.5 | Confident | 104 Ų | 104 | 111.2 Ų | 111.2 | 48% | 0.481 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62 | -41.3 | 173.3 | -79.2 | 176.9 | 0 | 0 | 0 | 111.8 | I806 E807 R813 K814 | I806-H810 WeakPolarHBondContact O-CB 3.32Å; I806-H810 PolarHBondContact O-N 3.17Å; E807-H810 PolarHBondContact O-N 3.03Å; H810-R813 PolarHBondContact O-N 3.2Å; H810-K814 PolarHBondContact O-N 3.22Å |
| 811 | K | 84 | Confident | 78.6 | Confident | 140 Ų | 140 | 114.8 Ų | 114.8 | 61% | 0.609 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -65.8 | -45.3 | 175.5 | -170.7 | 173.6 | 179.5 | -178.6 | 0 | 111.6 | E807 A808 W809 R813 K814 E815 | E807-K811 WeakPolarHBondContact O-CB 3.24Å; E807-K811 PolarHBondContact O-N 3.37Å; A808-K811 PolarHBondContact O-N 2.84Å; W809-K811 VanDerWaalsContact C-N 3.34Å; K811-R813 VanDerWaalsContact C-N 3.32Å; K811-R813 PolarHBondContact O-N 3.21Å; K811-K814 PolarHBondContact O-N 3.31Å; K811-E815 WeakPolarHBondContact O-CB 3.39Å; K811-E815 PolarHBondContact O-N 3.13Å |
| 812 | L | 82.1 | Confident | 76.2 | Confident | 98 Ų | 98 | 116.6 Ų | 116.6 | 51% | 0.513 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -63 | -35.4 | 174.4 | -74 | 169.8 | 0 | 0 | 0 | 112.5 | A808 W809 K816 | A808-L812 WeakPolarHBondContact O-CB 3.12Å; A808-L812 WeakPolarHBondContact O-CG 3.45Å; A808-L812 PolarHBondContact O-N 3.35Å; W809-L812 PolarHBondContact O-N 3.27Å; L812-K816 VanDerWaalsContact O-CB 3.3Å; L812-K816 WeakPolarHBondContact O-CB 3.26Å; L812-K816 WeakPolarHBondContact O-CG 3.43Å; L812-K816 PolarHBondContact O-N 3.39Å |
| 813 | R | 78.5 | Confident | 75.3 | Confident | 149 Ų | 149 | 117.7 Ų | 117.7 | 56% | 0.562 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -67.6 | -43.9 | 172.6 | -99.9 | -174.3 | 170 | -179.4 | -1 | 111.8 | W809 H810 K811 K816 S817 | W809-R813 VanDerWaalsContact CZ2-CZ 3.41Å; W809-R813 WeakPolarHBondContact O-CB 3.39Å; W809-R813 PolarHBondContact O-N 3.24Å; H810-R813 PolarHBondContact O-N 3.2Å; K811-R813 VanDerWaalsContact C-N 3.32Å; K811-R813 PolarHBondContact O-N 3.21Å; R813-K816 PolarHBondContact O-N 3.41Å; R813-S817 WeakPolarHBondContact O-CB 3.34Å; R813-S817 PolarHBondContact O-N 3Å |
| 814 | K | 75.7 | Confident | 74.4 | Confident | 155 Ų | 155 | 116.3 Ų | 116.3 | 67% | 0.674 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -59.2 | -49 | 173.2 | -82.8 | -175.6 | 175.8 | -179.9 | 0 | 110.4 | H810 K811 K816 S817 L818 | H810-K814 PolarHBondContact O-N 3.22Å; K811-K814 PolarHBondContact O-N 3.31Å; K814-K816 PolarHBondContact O-N 3.27Å; K814-S817 PolarHBondContact O-N 3.33Å; K814-S817 PolarHBondContact O-OG 3.39Å; K814-L818 WeakPolarHBondContact O-CB 3.32Å; K814-L818 WeakPolarHBondContact O-CD1 3.21Å; K814-L818 PolarHBondContact O-N 3.34Å |
| 815 | E | 74.8 | Confident | 73.4 | Confident | 84 Ų | 84 | 119.8 Ų | 119.8 | 39% | 0.393 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -62.4 | -40 | 176.9 | -77.4 | 179.7 | -169.4 | 0 | 0 | 112.9 | K811 L818 R819 | K811-E815 WeakPolarHBondContact O-CB 3.39Å; K811-E815 PolarHBondContact O-N 3.13Å; E815-L818 PolarHBondContact O-N 3.44Å; E815-R819 WeakPolarHBondContact O-CG 3.32Å; E815-R819 PolarHBondContact O-N 3.39Å |
| 816 | K | 67.1 | Low | 72.3 | Confident | 151 Ų | 151 | 118.4 Ų | 118.4 | 66% | 0.657 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67 | -39.9 | 173.3 | -83.2 | -174.3 | 177 | -177.2 | 0 | 112.3 | L812 R813 K814 L818 R819 V820 | L812-K816 VanDerWaalsContact O-CB 3.3Å; L812-K816 WeakPolarHBondContact O-CB 3.26Å; L812-K816 WeakPolarHBondContact O-CG 3.43Å; L812-K816 PolarHBondContact O-N 3.39Å; R813-K816 PolarHBondContact O-N 3.41Å; K814-K816 PolarHBondContact O-N 3.27Å; K816-L818 VanDerWaalsContact C-N 3.28Å; K816-L818 PolarHBondContact O-N 3.32Å; K816-R819 CarbonylContact O-C 3.51Å; K816-R819 PolarHBondContact O-N 3.15Å; K816-V820 WeakPolarHBondContact O-CG2 3.39Å; K816-V820 PolarHBondContact O-N 3.02Å |
| 817 | S | 62.2 | Low | 71.1 | Confident | 69 Ų | 69 | 121.1 Ų | 121.1 | 48% | 0.483 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -64.3 | -36.8 | 174.2 | 83.7 | 0 | 0 | 0 | 0 | 111.3 | R813 K814 V820 V821 | R813-S817 WeakPolarHBondContact O-CB 3.34Å; R813-S817 PolarHBondContact O-N 3Å; K814-S817 PolarHBondContact O-N 3.33Å; K814-S817 PolarHBondContact O-OG 3.39Å; S817-V820 PolarHBondContact O-N 3.1Å; S817-V821 VanDerWaalsContact O-CG2 3.26Å; S817-V821 WeakPolarHBondContact O-CG2 3.49Å; S817-V821 PolarHBondContact O-N 3.25Å; S817-V821 VanDerWaalsContact O-N 3.16Å |
| 818 | L | 57.3 | Low | 69.9 | Low | 115 Ų | 115 | 122.4 Ų | 122.4 | 60% | 0.602 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -65.3 | -38.7 | 171.5 | -92.5 | 136.9 | 0 | 0 | 0 | 111.9 | K814 E815 K816 V821 C822 | K814-L818 WeakPolarHBondContact O-CB 3.32Å; K814-L818 WeakPolarHBondContact O-CD1 3.21Å; K814-L818 PolarHBondContact O-N 3.34Å; E815-L818 PolarHBondContact O-N 3.44Å; K816-L818 VanDerWaalsContact C-N 3.28Å; K816-L818 PolarHBondContact O-N 3.32Å; L818-V821 PolarHBondContact O-N 2.94Å; L818-C822 PolarHBondContact O-N 2.98Å |
| 819 | R | 56.5 | Low | 68.7 | Low | 194 Ų | 194 | 127.7 Ų | 127.7 | 73% | 0.732 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.9 | -13 | 175 | -76.6 | -167 | -161.1 | -172.3 | 5.8 | 115.6 | E815 K816 | E815-R819 WeakPolarHBondContact O-CG 3.32Å; E815-R819 PolarHBondContact O-N 3.39Å; K816-R819 CarbonylContact O-C 3.51Å; K816-R819 PolarHBondContact O-N 3.15Å |
| 820 | V | 54.7 | Low | 67.3 | Low | 126 Ų | 126 | 128.6 Ų | 128.6 | 76% | 0.764 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92.4 | -19 | 171.4 | 173.9 | 0 | 0 | 0 | 0 | 110.6 | K816 S817 | K816-V820 WeakPolarHBondContact O-CG2 3.39Å; K816-V820 PolarHBondContact O-N 3.02Å; S817-V820 PolarHBondContact O-N 3.1Å |
| 821 | V | 54.1 | Low | 65.8 | Low | 130 Ų | 130 | 130.7 Ų | 130.7 | 79% | 0.788 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.6 | -27.3 | 172.7 | 174.7 | 0 | 0 | 0 | 0 | 111.8 | S817 L818 | S817-V821 VanDerWaalsContact O-CG2 3.26Å; S817-V821 WeakPolarHBondContact O-CG2 3.49Å; S817-V821 PolarHBondContact O-N 3.25Å; S817-V821 VanDerWaalsContact O-N 3.16Å; L818-V821 PolarHBondContact O-N 2.94Å |
| 822 | C | 42.9 | Very low | 64.2 | Low | 157 Ų | 157 | 129.8 Ų | 129.8 | 100% | 1.061 | 66% | 0.657 | S | S | * | * | trans | -81.1 | 0 | 162.8 | -68.1 | 0 | 0 | 0 | 0 | 110.7 | L818 | L818-C822 PolarHBondContact O-N 2.98Š|
Retrieved 822 of 822 residues in 268 ms
(Link to these results)