| 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 | 27.5 | Very low | 52.1 | Low | 236 Ų | 236 | 98.1 Ų | 98.1 | 100% | 1.163 | 53% | 0.531 | S | S | * | . | 0 | 66.2 | 0 | -69 | -179.8 | 176.4 | 0 | 0 | 109.3 | G3 | M1-G3 PolarHBondContact O-N 3.48Š| |||
| 2 | V | 33 | Very low | 54.8 | Low | 132 Ų | 132 | 92.2 Ų | 92.2 | 80% | 0.8 | 50% | 0.495 | S | S | * | . | trans | -91.9 | 68.5 | 171.8 | -172.8 | 0 | 0 | 0 | 0 | 106.2 | F6 | V2-F6 HydrophobicContact CG1-CE2 3.7Å; V2-F6 HydrophobicContact CG1-CZ 4.31Å | ||
| 3 | G | 34.5 | Very low | 57.1 | Low | 44 Ų | 44 | 85.5 Ų | 85.5 | 45% | 0.454 | 46% | 0.46 | S | S | . | . | trans | -114.3 | 127 | -175.7 | 0 | 0 | 0 | 0 | 0 | 109.6 | M1 D5 | M1-G3 PolarHBondContact O-N 3.48Å; G3-D5 VanDerWaalsContact C-N 3.27Å; G3-D5 PolarHBondContact O-N 3.22Å | ||
| 4 | N | 41.1 | Very low | 59.1 | Low | 132 Ų | 132 | 79.4 Ų | 79.4 | 71% | 0.706 | 43% | 0.427 | S | S | * | . | S | Bend | trans | 62.8 | -11.8 | 164.7 | -64.9 | -10.7 | 0 | 0 | 0 | 120.7 | F6 N7 | N4-F6 PolarHBondContact O-N 3.42Å; N4-F6 VanDerWaalsContact O-N 3.08Å; N4-N7 PolarHBondContact O-N 2.93Å |
| 5 | D | 48.7 | Very low | 61 | Low | 115 Ų | 115 | 74.1 Ų | 74.1 | 62% | 0.615 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -62.5 | -19.7 | 179.4 | -70 | -14.2 | 0 | 0 | 0 | 114 | G3 N7 E8 | G3-D5 VanDerWaalsContact C-N 3.27Å; G3-D5 PolarHBondContact O-N 3.22Å; D5-N7 VanDerWaalsContact C-N 3.35Å; D5-N7 PolarHBondContact O-N 3.04Å; D5-E8 WeakPolarHBondContact O-CA 3.49Å; D5-E8 PolarHBondContact O-N 3.25Å |
| 6 | F | 49.7 | Very low | 62.7 | Low | 93 Ų | 93 | 69.5 Ų | 69.5 | 41% | 0.408 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -68.9 | -28.8 | -179.2 | -71.2 | -71.8 | 0 | 0 | 0 | 114.2 | V2 N4 E8 | V2-F6 HydrophobicContact CG1-CE2 3.7Å; V2-F6 HydrophobicContact CG1-CZ 4.31Å; N4-F6 PolarHBondContact O-N 3.42Å; N4-F6 VanDerWaalsContact O-N 3.08Å; F6-E8 PolarHBondContact O-N 3.12Å |
| 7 | N | 52.7 | Low | 64.2 | Low | 116 Ų | 116 | 65.5 Ų | 65.5 | 62% | 0.62 | 35% | 0.352 | S | S | * | . | G | 310 helix | trans | -76.5 | -6.6 | 171.5 | -71.8 | -25.5 | 0 | 0 | 0 | 111.7 | N4 D5 I9 R433 | N4-N7 PolarHBondContact O-N 2.93Å; D5-N7 VanDerWaalsContact C-N 3.35Å; D5-N7 PolarHBondContact O-N 3.04Å; N7-I9 VanDerWaalsContact C-N 3.32Å; N7-I9 PolarHBondContact O-N 3.3Å; N7-R433 WeakPolarHBondContact O-CD 3.42Å; N7-R433 PolarHBondContact O-NE 3.33Å; N7-R433 PolarHBondContact O-NH1 3.27Å |
| 8 | E | 60.2 | Low | 65.3 | Low | 130 Ų | 130 | 64.4 Ų | 64.4 | 61% | 0.607 | 34% | 0.344 | S | S | * | . | G | 310 helix | trans | -65.4 | -10.1 | 174.9 | 62.9 | 148.1 | 114.2 | 0 | 0 | 117.4 | D5 F6 R433 | D5-E8 WeakPolarHBondContact O-CA 3.49Å; D5-E8 PolarHBondContact O-N 3.25Å; F6-E8 PolarHBondContact O-N 3.12Å; E8-R433 PolarHBondContact O-NH2 2.88Å |
| 9 | I | 67.7 | Low | 65.9 | Low | 40 Ų | 40 | 61.9 Ų | 61.9 | 21% | 0.205 | 34% | 0.335 | C | S | . | . | trans | -114.4 | 118.3 | -164.6 | -46.2 | -179.1 | 0 | 0 | 0 | 109.5 | N7 L11 R12 R433 | N7-I9 VanDerWaalsContact C-N 3.32Å; N7-I9 PolarHBondContact O-N 3.3Å; I9-L11 VanDerWaalsContact C-N 3.27Å; I9-L11 WeakPolarHBondContact CG2-O 3.49Å; I9-L11 PolarHBondContact O-N 2.8Å; I9-R12 HydrophobicContact CB-CB 4.28Å; I9-R12 HydrophobicContact CG2-CB 4.27Å; I9-R433 WeakPolarHBondContact O-CG 3.26Å | ||
| 10 | P | 75.6 | Confident | 66.1 | Low | 41 Ų | 41 | 64 Ų | 64 | 27% | 0.266 | 35% | 0.35 | S | S | . | . | S | Bend | trans | -62.5 | -33.4 | -173.1 | 25.4 | -36.2 | 0 | 0 | 0 | 113.3 | L380 K391 T432 R433 | P10-L380 HydrophobicContact CB-CD2 3.93Å; P10-K391 HydrophobicContact CG-CB 3.78Å; P10-K391 HydrophobicContact CG-CD 4.43Å; P10-K391 HydrophobicContact CG-CG 4.23Å; P10-T432 WeakPolarHBondContact O-CA 3.42Å; P10-R433 PolarHBondContact O-N 3.21Å |
| 11 | L | 82.8 | Confident | 66 | Low | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 129.1 | 173.4 | -178.5 | 69.4 | 0 | 0 | 0 | 105.9 | I9 I370 I378 L380 K391 Y393 V418 F430 T431 T432 | I9-L11 VanDerWaalsContact C-N 3.27Å; I9-L11 WeakPolarHBondContact CG2-O 3.49Å; I9-L11 PolarHBondContact O-N 2.8Å; L11-I370 HydrophobicContact CD1-CD1 3.97Å; L11-I370 HydrophobicContact CD2-CD1 4.34Å; L11-I378 HydrophobicContact CD2-CG2 4.19Å; L11-L380 HydrophobicContact CB-CD2 4.37Å; L11-L380 HydrophobicContact CD2-CB 4.46Å; L11-K391 HydrophobicContact CB-CG 4.34Å; L11-Y393 HydrophobicContact CB-CE2 4.2Å; L11-Y393 HydrophobicContact CD2-CD2 3.9Å; L11-Y393 HydrophobicContact CD2-CE2 4.18Å; L11-Y393 HydrophobicContact CG-CD2 4.21Å; L11-Y393 HydrophobicContact CG-CE2 3.99Å; L11-Y393 WeakPolarHBondContact O-CE2 3.32Å; L11-Y393 PolarHBondContact O-OH 2.83Å; L11-V418 HydrophobicContact CD1-CG2 4.38Å; L11-F430 HydrophobicContact CD1-CB 3.5Å; L11-F430 VanDerWaalsContact CD1-CB 3.5Å; L11-F430 HydrophobicContact CD1-CD1 4.25Å; L11-F430 HydrophobicContact CD1-CG 4.05Å; L11-F430 HydrophobicContact CD2-CD1 4.39Å; L11-F430 HydrophobicContact CG-CB 4.16Å; L11-F430 HydrophobicContact CG-CD1 4Å; L11-F430 HydrophobicContact CG-CG 4.32Å; L11-T431 CarbonylContact C-O 3.28Å; L11-T432 HydrophobicContact CD1-CG2 3.34Å |
| 12 | R | 84.1 | Confident | 67.9 | Low | 27 Ų | 27 | 62.2 Ų | 62.2 | 10% | 0.102 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 129.9 | -177.5 | 174.3 | -173.7 | 179.4 | -152.7 | -0 | 110.2 | I9 S14 F64 Y393 F430 T431 | I9-R12 HydrophobicContact CB-CB 4.28Å; I9-R12 HydrophobicContact CG2-CB 4.27Å; R12-S14 PolarHBondContact O-OG 3.25Å; R12-F64 VanDerWaalsContact NH2-CZ 3.33Å; R12-Y393 WeakPolarHBondContact CA-OH 3.41Å; R12-F430 CarbonylContact O-C 3.6Å; R12-F430 WeakPolarHBondContact O-CA 3.27Å; R12-F430 WeakPolarHBondContact O-CB 3.31Å; R12-T431 WeakPolarHBondContact CB-OG1 3.15Å; R12-T431 PolarHBondContact N-O 3.36Å; R12-T431 PolarHBondContact O-N 2.82Å; R12-T431 PolarHBondContact O-OG1 3.28Å |
| 13 | L | 84.3 | Confident | 69.5 | Low | 6 Ų | 6 | 58.5 Ų | 58.5 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 128.5 | 170.9 | -178.5 | 58.9 | 0 | 0 | 0 | 109.7 | L105 L110 Y393 L428 F430 | L13-L105 HydrophobicContact CD1-CD1 4.09Å; L13-L105 HydrophobicContact CD2-CD1 3.47Å; L13-L105 VanDerWaalsContact CD2-CD1 3.47Å; L13-L105 HydrophobicContact CG-CD1 3.64Å; L13-L110 HydrophobicContact CD2-CD2 4.05Å; L13-L110 HydrophobicContact CD2-CG 4.12Å; L13-Y393 HydrophobicContact CB-CE1 4.37Å; L13-L428 HydrophobicContact CD1-CB 3.96Å; L13-L428 HydrophobicContact CD1-CD1 4.42Å; L13-L428 HydrophobicContact CD1-CD2 4.29Å; L13-L428 HydrophobicContact CD1-CG 4.44Å; L13-F430 HydrophobicContact CB-CD1 3.89Å; L13-F430 HydrophobicContact CB-CE1 3.72Å; L13-F430 HydrophobicContact CD1-CD1 4.15Å; L13-F430 HydrophobicContact CD1-CD2 4.48Å; L13-F430 HydrophobicContact CD1-CE1 3.81Å; L13-F430 HydrophobicContact CD1-CE2 4.17Å; L13-F430 HydrophobicContact CD1-CG 4.46Å; L13-F430 HydrophobicContact CD1-CZ 3.8Å; L13-F430 HydrophobicContact CG-CE1 4.26Å |
| 14 | S | 85.8 | Confident | 71 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | -49.9 | -173 | -54.1 | 0 | 0 | 0 | 0 | 113.2 | R12 L105 V429 T431 | R12-S14 PolarHBondContact O-OG 3.25Å; S14-L105 PolarHBondContact O-N 3.14Å; S14-V429 PolarHBondContact N-O 3.03Å; S14-T431 VanDerWaalsContact OG-CG2 3.23Å; S14-T431 WeakPolarHBondContact OG-CG2 3.36Å; S14-T431 PolarHBondContact OG-OG1 2.75Å; S14-T431 VanDerWaalsContact OG-OG1 3.12Å |
| 15 | I | 88.1 | Confident | 72.4 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 142.6 | -175.7 | -48.2 | -176.8 | 0 | 0 | 0 | 108.8 | T57 C58 W102 K103 I104 M119 V429 | I15-T57 VanDerWaalsContact CD1-OG1 3.23Å; I15-T57 WeakPolarHBondContact CD1-OG1 3.06Å; I15-C58 HydrophobicContact CD1-CB 4.39Å; I15-C58 WeakPolarHBondContact CD1-SG 3.42Å; I15-W102 HydrophobicContact CB-CE3 4.46Å; I15-W102 HydrophobicContact CG2-CD2 4.43Å; I15-W102 HydrophobicContact CG2-CE3 3.45Å; I15-W102 VanDerWaalsContact CG2-CE3 3.45Å; I15-W102 HydrophobicContact CG2-CZ3 3.99Å; I15-K103 CarbonylContact C-O 3.52Å; I15-K103 WeakPolarHBondContact CA-O 3.45Å; I15-K103 WeakPolarHBondContact CG2-O 3.29Å; I15-I104 HydrophobicContact CD1-CG1 4.31Å; I15-I104 HydrophobicContact CG1-CG1 4.1Å; I15-M119 HydrophobicContact CD1-CE 4.47Å; I15-M119 HydrophobicContact CG2-CE 4.38Å; I15-V429 HydrophobicContact CB-CB 4.37Å; I15-V429 PolarHBondContact N-O 3.05Å; I15-V429 PolarHBondContact O-N 3.28Å |
| 16 | A | 87.6 | Confident | 73.6 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 140.7 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | W102 K103 L105 V427 L428 | A16-W102 CarbonylContact O-C 3.57Å; A16-W102 WeakPolarHBondContact O-CA 3.28Å; A16-K103 PolarHBondContact N-O 3.09Å; A16-K103 PolarHBondContact O-N 2.95Å; A16-L105 HydrophobicContact CB-CD1 3.89Å; A16-L105 HydrophobicContact CB-CG 4.32Å; A16-V427 CarbonylContact C-O 3.57Å; A16-V427 WeakPolarHBondContact CA-O 3.35Å; A16-L428 HydrophobicContact CB-CD2 3.62Å |
| 17 | Y | 88.2 | Confident | 75.3 | Confident | 1 Ų | 1 | 46.6 Ų | 46.6 | 0% | 0.004 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 126.7 | 163.9 | 178 | -93.6 | 0 | 0 | 0 | 108.2 | I25 F39 D41 L47 N101 W102 D426 V427 | Y17-I25 HydrophobicContact CD1-CD1 4.37Å; Y17-F39 AromaticContact CD1-CE2 3.69Å; Y17-F39 HydrophobicContact CD1-CE2 3.69Å; Y17-F39 AromaticContact CD1-CZ 3.8Å; Y17-F39 HydrophobicContact CD1-CZ 3.8Å; Y17-F39 AromaticContact CD2-CZ 3.94Å; Y17-F39 HydrophobicContact CD2-CZ 3.94Å; Y17-F39 AromaticContact CE1-CE2 3.59Å; Y17-F39 HydrophobicContact CE1-CE2 3.59Å; Y17-F39 AromaticContact CE1-CZ 3.87Å; Y17-F39 HydrophobicContact CE1-CZ 3.87Å; Y17-F39 HydrophobicContact CE2-CE2 4.49Å; Y17-F39 AromaticContact CE2-CZ 3.96Å; Y17-F39 HydrophobicContact CE2-CZ 3.96Å; Y17-F39 HydrophobicContact CG-CE2 4.21Å; Y17-F39 AromaticContact CG-CZ 3.83Å; Y17-F39 HydrophobicContact CG-CZ 3.83Å; Y17-F39 AromaticContact CZ-CZ 3.94Å; Y17-D41 VanDerWaalsContact CE1-OD1 3.23Å; Y17-D41 WeakPolarHBondContact CE1-OD1 3.43Å; Y17-D41 VanDerWaalsContact CZ-OD1 3.32Å; Y17-D41 VanDerWaalsContact OH-CG 3.28Å; Y17-D41 PolarHBondContact OH-OD1 3.05Å; Y17-L47 WeakPolarHBondContact OH-CD1 3.44Å; Y17-N101 WeakPolarHBondContact CA-O 3.33Å; Y17-N101 HydrophobicContact CD2-CB 3.66Å; Y17-N101 HydrophobicContact CE2-CB 3.23Å; Y17-N101 PolarHBondContact OH-ND2 2.61Å; Y17-W102 AromaticContact CD2-CD1 3.75Å; Y17-W102 AromaticContact CD2-CD2 3.75Å; Y17-W102 HydrophobicContact CD2-CD2 3.75Å; Y17-W102 AromaticContact CD2-CE2 3.54Å; Y17-W102 HydrophobicContact CD2-CE3 4.41Å; Y17-W102 AromaticContact CD2-CG 3.94Å; Y17-W102 HydrophobicContact CD2-CG 3.94Å; Y17-W102 HydrophobicContact CD2-CZ2 4.08Å; Y17-W102 AromaticContact CD2-NE1 3.48Å; Y17-W102 AromaticContact CE2-NE1 3.98Å; Y17-W102 HydrophobicContact CG-CD2 4.32Å; Y17-W102 HydrophobicContact CG-CZ2 4.43Å; Y17-D426 CarbonylContact O-C 3.58Å; Y17-D426 WeakPolarHBondContact O-CA 3.45Å; Y17-D426 WeakPolarHBondContact O-CB 3.45Å; Y17-V427 HydrophobicContact CD1-CG2 4.45Å; Y17-V427 PolarHBondContact N-O 2.94Å; Y17-V427 PolarHBondContact O-N 3.26Å |
| 18 | H | 83.8 | Confident | 77.2 | Confident | 47 Ų | 47 | 41.1 Ų | 41.1 | 22% | 0.218 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 117.3 | 172.5 | -64.8 | -70.8 | 0 | 0 | 0 | 109.7 | N101 D426 | H18-N101 PolarHBondContact N-O 3.31Å; H18-N101 WeakPolarHBondContact O-CB 3.46Å; H18-D426 WeakPolarHBondContact CA-OD1 3.28Å; H18-D426 IonicContact CE1-OD1 3.63Å; H18-D426 IonicContact CE1-OD2 3.22Å; H18-D426 PolarHBondContact CE1-OD2 3.34Å; H18-D426 VanDerWaalsContact CE1-OD2 3.22Å; H18-D426 IonicContact CG-OD1 2.74Å; H18-D426 IonicContact ND1-OD1 2.71Å; H18-D426 PolarHBondContact ND1-OD1 3.45Å; H18-D426 IonicContact ND1-OD2 3.12Å; H18-D426 PolarHBondContact ND1-OD2 3.17Å; H18-D426 VanDerWaalsContact ND1-OD2 3.12Å |
| 19 | G | 76.2 | Confident | 78.8 | Confident | 16 Ų | 16 | 35.8 Ų | 35.8 | 17% | 0.165 | 19% | 0.191 | C | C | . | . | trans | -68.4 | 141.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H425 | G19-H425 PolarHBondContact N-O 3.19Š| ||
| 20 | V | 70.2 | Confident | 80.1 | Confident | 104 Ų | 104 | 34.4 Ų | 34.4 | 63% | 0.63 | 18% | 0.184 | S | C | * | . | S | Bend | trans | -68.9 | -39.8 | 176.1 | 179 | 0 | 0 | 0 | 0 | 111.1 | N101 | V20-N101 WeakPolarHBondContact CG2-OD1 3.21Š|
| 21 | H | 64.6 | Low | 80.9 | Confident | 99 Ų | 99 | 32.5 Ų | 32.5 | 46% | 0.458 | 17% | 0.171 | S | C | . | . | S | Bend | trans | -94 | 122.2 | 173.9 | -54.6 | -79.4 | 0 | 0 | 0 | 106.7 | N23 Q42 | H21-N23 WeakPolarHBondContact CB-ND2 3.14Å; H21-N23 PolarHBondContact O-N 3.44Å; H21-Q42 PolarHBondContact CD2-NE2 3.31Å; H21-Q42 PolarHBondContact NE2-NE2 3.03Å |
| 22 | Q | 67.4 | Low | 81.1 | Confident | 164 Ų | 164 | 35.1 Ų | 35.1 | 77% | 0.766 | 19% | 0.185 | S | C | * | . | trans | -68.1 | 62.5 | 177.6 | -69 | 176.7 | -3.9 | 0 | 0 | 110.8 | H425 | Q22-H425 VanDerWaalsContact C-CD2 3.48Å; Q22-H425 VanDerWaalsContact C-CE1 3.42Å; Q22-H425 VanDerWaalsContact C-ND1 3.33Å; Q22-H425 WeakPolarHBondContact CA-CD2 3.48Å; Q22-H425 VanDerWaalsContact CA-CG 3.5Å; Q22-H425 VanDerWaalsContact CB-CD2 3.43Å; Q22-H425 WeakPolarHBondContact CB-CD2 3.35Å; Q22-H425 PolarHBondContact O-CE1 2.82Å; Q22-H425 PolarHBondContact O-NE2 3.48Å | ||
| 23 | N | 67 | Low | 81.2 | Confident | 53 Ų | 53 | 36.7 Ų | 36.7 | 28% | 0.283 | 20% | 0.2 | S | C | . | . | trans | -105.6 | 141.9 | -176.5 | -72.1 | -19.6 | 0 | 0 | 0 | 110.1 | H21 I25 P43 H425 | H21-N23 WeakPolarHBondContact CB-ND2 3.14Å; H21-N23 PolarHBondContact O-N 3.44Å; N23-I25 PolarHBondContact O-N 3Å; N23-P43 WeakPolarHBondContact ND2-CD 3.27Å; N23-H425 PolarHBondContact N-ND1 3.36Å; N23-H425 VanDerWaalsContact O-CB 3.27Å; N23-H425 WeakPolarHBondContact O-CB 3.47Å; N23-H425 VanDerWaalsContact O-CG 3.28Å; N23-H425 PolarHBondContact O-ND1 2.85Å | ||
| 24 | N | 66.3 | Low | 81.3 | Confident | 96 Ų | 96 | 37.2 Ų | 37.2 | 51% | 0.513 | 21% | 0.207 | S | C | . | . | trans | -64.2 | 112.4 | -178.5 | -72.2 | -25.8 | 0 | 0 | 0 | 110.9 | T26 H425 | N24-T26 PolarHBondContact O-N 3.36Å; N24-H425 PolarHBondContact N-ND1 3.07Å; N24-H425 PolarHBondContact OD1-CE1 3.29Å; N24-H425 VanDerWaalsContact OD1-CE1 3.29Å | ||
| 25 | I | 68.9 | Low | 81.5 | Confident | 5 Ų | 5 | 45.1 Ų | 45.1 | 3% | 0.026 | 24% | 0.237 | C | C | . | . | trans | -72.8 | 97.9 | 169.1 | -59.8 | -170.5 | 0 | 0 | 0 | 107.4 | Y17 N23 F39 V40 T421 H425 V427 | Y17-I25 HydrophobicContact CD1-CD1 4.37Å; N23-I25 PolarHBondContact O-N 3Å; I25-F39 HydrophobicContact CD1-CD2 4.37Å; I25-F39 HydrophobicContact CD1-CE2 4.48Å; I25-F39 HydrophobicContact CG2-CD2 4.42Å; I25-V40 WeakPolarHBondContact CG1-O 3.21Å; I25-V40 VanDerWaalsContact CG2-O 3.3Å; I25-V40 WeakPolarHBondContact CG2-O 3.32Å; I25-T421 HydrophobicContact CG2-CG2 3.48Å; I25-T421 VanDerWaalsContact CG2-CG2 3.48Å; I25-T421 WeakPolarHBondContact O-CB 3.4Å; I25-T421 PolarHBondContact O-OG1 3.11Å; I25-H425 WeakPolarHBondContact CD1-O 3.25Å; I25-V427 HydrophobicContact CD1-CG2 3.63Å; I25-V427 HydrophobicContact CG2-CG2 3.99Å | ||
| 26 | T | 74.5 | Confident | 81.7 | Confident | 27 Ų | 27 | 46.9 Ų | 46.9 | 17% | 0.166 | 24% | 0.244 | C | C | . | . | trans | -74.7 | -38.5 | -172.3 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | N24 V131 | N24-T26 PolarHBondContact O-N 3.36Å; T26-V131 PolarHBondContact OG1-O 3.25Å | ||
| 27 | S | 85.7 | Confident | 82.1 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 4% | 0.042 | 24% | 0.244 | C | C | . | . | trans | -149 | 150 | -168.7 | 63.2 | 0 | 0 | 0 | 0 | 113.7 | F39 V40 M134 | S27-F39 WeakPolarHBondContact O-CA 3.5Å; S27-V40 PolarHBondContact O-N 3.18Å; S27-V40 VanDerWaalsContact O-N 3.13Å; S27-V40 VanDerWaalsContact OG-CG2 3.3Å; S27-V40 WeakPolarHBondContact OG-CG2 3.36Å; S27-M134 VanDerWaalsContact O-SD 3.38Å; S27-M134 WeakPolarHBondContact OG-CG 3.42Å | ||
| 28 | C | 92.6 | Very high | 82.4 | Confident | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.014 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 151.1 | 172.5 | 73.5 | 0 | 0 | 0 | 0 | 109.1 | F37 A38 F39 M134 S408 T421 | C28-F37 HydrophobicContact CB-CE2 3.93Å; C28-F37 HydrophobicContact CB-CZ 4.06Å; C28-A38 CarbonylContact C-O 3.52Å; C28-A38 VanDerWaalsContact CA-O 3.32Å; C28-A38 WeakPolarHBondContact CA-O 2.9Å; C28-F39 HydrophobicContact CB-CB 3.76Å; C28-M134 WeakPolarHBondContact CA-SD 3.29Å; C28-S408 VanDerWaalsContact N-CB 3.31Å; C28-S408 PolarHBondContact O-OG 3Å; C28-T421 HydrophobicContact CB-CG2 3.6Å |
| 29 | S | 94.3 | Very high | 82.9 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 13% | 0.126 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 152.3 | 178.2 | -166.6 | 0 | 0 | 0 | 0 | 111.2 | F37 A38 F136 | S29-F37 WeakPolarHBondContact O-CD2 3.28Å; S29-A38 PolarHBondContact N-O 3.43Å; S29-A38 PolarHBondContact O-N 2.87Å; S29-F136 WeakPolarHBondContact O-CE2 3.46Å |
| 30 | F | 94.8 | Very high | 83.6 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 144.4 | 169.6 | -70.8 | -83.8 | 0 | 0 | 0 | 109.6 | F37 V51 F136 A410 F411 I417 A419 | F30-F37 HydrophobicContact CD1-CB 3.74Å; F30-F37 AromaticContact CD1-CD2 3.59Å; F30-F37 HydrophobicContact CD1-CD2 3.59Å; F30-F37 HydrophobicContact CD1-CG 4.04Å; F30-F37 HydrophobicContact CD2-CD2 4.07Å; F30-F37 HydrophobicContact CD2-CE2 4.44Å; F30-F37 HydrophobicContact CE1-CB 3.63Å; F30-F37 AromaticContact CE1-CD2 3.34Å; F30-F37 HydrophobicContact CE1-CD2 3.34Å; F30-F37 HydrophobicContact CE1-CE2 4.18Å; F30-F37 AromaticContact CE1-CG 3.65Å; F30-F37 HydrophobicContact CE1-CG 3.65Å; F30-F37 AromaticContact CE2-CD2 3.82Å; F30-F37 HydrophobicContact CE2-CD2 3.82Å; F30-F37 AromaticContact CE2-CE2 3.96Å; F30-F37 HydrophobicContact CE2-CE2 3.96Å; F30-F37 AromaticContact CG-CD2 3.96Å; F30-F37 HydrophobicContact CG-CD2 3.96Å; F30-F37 AromaticContact CZ-CD2 3.45Å; F30-F37 HydrophobicContact CZ-CD2 3.45Å; F30-F37 VanDerWaalsContact CZ-CD2 3.45Å; F30-F37 AromaticContact CZ-CE2 3.81Å; F30-F37 HydrophobicContact CZ-CE2 3.81Å; F30-F37 HydrophobicContact CZ-CG 4.08Å; F30-V51 HydrophobicContact CD1-CG2 3.78Å; F30-V51 HydrophobicContact CE1-CG2 4.06Å; F30-F136 WeakPolarHBondContact O-CD2 3.48Å; F30-A410 HydrophobicContact CD2-CB 3.66Å; F30-A410 HydrophobicContact CE2-CB 4Å; F30-A410 WeakPolarHBondContact CE2-O 3.28Å; F30-F411 WeakPolarHBondContact CD2-O 3.34Å; F30-I417 HydrophobicContact CZ-CG2 3.95Å; F30-A419 HydrophobicContact CE2-CB 3.63Å; F30-A419 HydrophobicContact CZ-CB 3.83Å |
| 31 | S | 92.7 | Very high | 84.4 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | trans | -65.7 | 139.7 | 169.3 | 63.8 | 0 | 0 | 0 | 0 | 110.4 | C33 G34 R35 F36 P413 | S31-C33 PolarHBondContact O-N 3.31Å; S31-C33 VanDerWaalsContact O-N 3.15Å; S31-C33 PolarHBondContact OG-SG 3.5Å; S31-C33 VanDerWaalsContact OG-SG 3.33Å; S31-G34 WeakPolarHBondContact O-CA 3.47Å; S31-G34 PolarHBondContact O-N 2.9Å; S31-G34 PolarHBondContact OG-N 3.11Å; S31-R35 PolarHBondContact OG-N 3.18Å; S31-F36 PolarHBondContact N-O 3.41Å; S31-F36 PolarHBondContact OG-N 2.88Å; S31-F36 PolarHBondContact OG-O 3.49Å; S31-P413 WeakPolarHBondContact O-CG 3.35Å | ||
| 32 | D | 87 | Confident | 85.5 | Confident | 55 Ų | 55 | 36.7 Ų | 36.7 | 29% | 0.294 | 19% | 0.186 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -27.2 | 177.9 | -59.9 | -56.5 | 0 | 0 | 0 | 113.1 | G34 T138 | D32-G34 PolarHBondContact O-N 3.45Å; D32-T138 HydrophobicContact CB-CG2 3.77Å; D32-T138 WeakPolarHBondContact CB-OG1 3.31Å; D32-T138 PolarHBondContact OD2-OG1 3.1Å |
| 33 | C | 84.7 | Confident | 86.4 | Confident | 60 Ų | 60 | 30.9 Ų | 30.9 | 41% | 0.405 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -4.8 | 174.6 | 66.1 | 0 | 0 | 0 | 0 | 113.8 | S31 R35 | S31-C33 PolarHBondContact O-N 3.31Å; S31-C33 VanDerWaalsContact O-N 3.15Å; S31-C33 PolarHBondContact OG-SG 3.5Å; S31-C33 VanDerWaalsContact OG-SG 3.33Å; C33-R35 VanDerWaalsContact C-N 3.27Å; C33-R35 PolarHBondContact O-N 3.43Å |
| 34 | G | 86.7 | Confident | 87.5 | Confident | 18 Ų | 18 | 32 Ų | 32 | 19% | 0.186 | 17% | 0.166 | C | C | . | . | S | Bend | trans | 73.2 | 9.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | S31 D32 V51 | S31-G34 WeakPolarHBondContact O-CA 3.47Å; S31-G34 PolarHBondContact O-N 2.9Å; S31-G34 PolarHBondContact OG-N 3.11Å; D32-G34 PolarHBondContact O-N 3.45Å; G34-V51 VanDerWaalsContact O-CB 3.28Å; G34-V51 WeakPolarHBondContact O-CB 3.47Å; G34-V51 WeakPolarHBondContact O-CG2 3.34Å |
| 35 | R | 89.9 | Confident | 88.6 | Confident | 166 Ų | 166 | 28.3 Ų | 28.3 | 63% | 0.626 | 15% | 0.146 | S | C | * | . | S | Bend | trans | -95.2 | -32.2 | -176 | -66.5 | -174 | -179.5 | 175.9 | 0.7 | 114.1 | S31 C33 V51 | S31-R35 PolarHBondContact OG-N 3.18Å; C33-R35 VanDerWaalsContact C-N 3.27Å; C33-R35 PolarHBondContact O-N 3.43Å; R35-V51 PolarHBondContact O-N 3.15Å |
| 36 | F | 93.5 | Very high | 89.7 | Confident | 36 Ų | 36 | 28 Ų | 28 | 16% | 0.158 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 142.4 | -171.6 | -51.2 | -77.4 | 0 | 0 | 0 | 111.4 | S31 Y49 I122 F136 V180 V184 | S31-F36 PolarHBondContact N-O 3.41Å; S31-F36 PolarHBondContact OG-N 2.88Å; S31-F36 PolarHBondContact OG-O 3.49Å; F36-Y49 WeakPolarHBondContact CA-O 3.24Å; F36-I122 HydrophobicContact CD1-CD1 4.04Å; F36-I122 HydrophobicContact CE1-CD1 4.25Å; F36-F136 HydrophobicContact CB-CE1 4.32Å; F36-F136 HydrophobicContact CB-CZ 4.2Å; F36-V180 HydrophobicContact CD1-CG1 4.08Å; F36-V180 HydrophobicContact CD2-CG1 3.63Å; F36-V180 HydrophobicContact CE1-CG1 4.08Å; F36-V180 HydrophobicContact CE2-CG1 3.62Å; F36-V180 HydrophobicContact CG-CG1 3.86Å; F36-V180 HydrophobicContact CZ-CG1 3.85Å; F36-V184 HydrophobicContact CE1-CG2 4.02Å; F36-V184 HydrophobicContact CZ-CG2 4.48Å |
| 37 | F | 95 | Very high | 90.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 135.9 | 169.4 | 173.1 | -118.3 | 0 | 0 | 0 | 107.9 | C28 S29 F30 F39 G48 Y49 V51 L54 W102 A419 V427 | C28-F37 HydrophobicContact CB-CE2 3.93Å; C28-F37 HydrophobicContact CB-CZ 4.06Å; S29-F37 WeakPolarHBondContact O-CD2 3.28Å; F30-F37 HydrophobicContact CD1-CB 3.74Å; F30-F37 AromaticContact CD1-CD2 3.59Å; F30-F37 HydrophobicContact CD1-CD2 3.59Å; F30-F37 HydrophobicContact CD1-CG 4.04Å; F30-F37 HydrophobicContact CD2-CD2 4.07Å; F30-F37 HydrophobicContact CD2-CE2 4.44Å; F30-F37 HydrophobicContact CE1-CB 3.63Å; F30-F37 AromaticContact CE1-CD2 3.34Å; F30-F37 HydrophobicContact CE1-CD2 3.34Å; F30-F37 HydrophobicContact CE1-CE2 4.18Å; F30-F37 AromaticContact CE1-CG 3.65Å; F30-F37 HydrophobicContact CE1-CG 3.65Å; F30-F37 AromaticContact CE2-CD2 3.82Å; F30-F37 HydrophobicContact CE2-CD2 3.82Å; F30-F37 AromaticContact CE2-CE2 3.96Å; F30-F37 HydrophobicContact CE2-CE2 3.96Å; F30-F37 AromaticContact CG-CD2 3.96Å; F30-F37 HydrophobicContact CG-CD2 3.96Å; F30-F37 AromaticContact CZ-CD2 3.45Å; F30-F37 HydrophobicContact CZ-CD2 3.45Å; F30-F37 VanDerWaalsContact CZ-CD2 3.45Å; F30-F37 AromaticContact CZ-CE2 3.81Å; F30-F37 HydrophobicContact CZ-CE2 3.81Å; F30-F37 HydrophobicContact CZ-CG 4.08Å; F37-F39 HydrophobicContact CD1-CD1 4.11Å; F37-F39 AromaticContact CE1-CD1 3.42Å; F37-F39 HydrophobicContact CE1-CD1 3.42Å; F37-F39 VanDerWaalsContact CE1-CD1 3.42Å; F37-F39 AromaticContact CE1-CE1 3.93Å; F37-F39 HydrophobicContact CE1-CE1 3.93Å; F37-F39 HydrophobicContact CE1-CG 4.42Å; F37-F39 HydrophobicContact CZ-CB 4.36Å; F37-F39 AromaticContact CZ-CD1 3.91Å; F37-F39 HydrophobicContact CZ-CD1 3.91Å; F37-G48 CarbonylContact O-C 3.44Å; F37-G48 WeakPolarHBondContact O-CA 3.32Å; F37-Y49 PolarHBondContact N-O 3.28Å; F37-Y49 PolarHBondContact O-N 3.49Å; F37-V51 HydrophobicContact CB-CG2 4.13Å; F37-L54 HydrophobicContact CB-CD1 3.85Å; F37-L54 HydrophobicContact CD1-CD1 3.58Å; F37-L54 HydrophobicContact CE1-CD1 4.43Å; F37-L54 HydrophobicContact CG-CD1 3.95Å; F37-W102 HydrophobicContact CE1-CH2 4.45Å; F37-A419 HydrophobicContact CD2-CB 4.42Å; F37-A419 HydrophobicContact CE2-CB 3.42Å; F37-A419 VanDerWaalsContact CE2-CB 3.42Å; F37-A419 HydrophobicContact CZ-CB 3.54Å; F37-V427 HydrophobicContact CE1-CG1 4.28Å; F37-V427 HydrophobicContact CZ-CG1 3.93Å |
| 38 | A | 94.7 | Very high | 91 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 150.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | C28 S29 V46 L47 F123 M134 F136 | C28-A38 CarbonylContact C-O 3.52Å; C28-A38 VanDerWaalsContact CA-O 3.32Å; C28-A38 WeakPolarHBondContact CA-O 2.9Å; S29-A38 PolarHBondContact N-O 3.43Å; S29-A38 PolarHBondContact O-N 2.87Å; A38-V46 HydrophobicContact CB-CG1 4.29Å; A38-L47 WeakPolarHBondContact CA-O 3.25Å; A38-L47 WeakPolarHBondContact CB-O 3.46Å; A38-F123 HydrophobicContact CB-CZ 4.43Å; A38-M134 HydrophobicContact CB-CE 3.52Å; A38-M134 WeakPolarHBondContact O-CE 3.48Å; A38-F136 HydrophobicContact CB-CE2 3.84Å; A38-F136 HydrophobicContact CB-CZ 3.73Å |
| 39 | F | 93.6 | Very high | 91 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 162.4 | 175.2 | 65.1 | -89.3 | 0 | 0 | 0 | 111.1 | Y17 I25 S27 C28 F37 D41 L47 Y49 W102 V427 | Y17-F39 AromaticContact CD1-CE2 3.69Å; Y17-F39 HydrophobicContact CD1-CE2 3.69Å; Y17-F39 AromaticContact CD1-CZ 3.8Å; Y17-F39 HydrophobicContact CD1-CZ 3.8Å; Y17-F39 AromaticContact CD2-CZ 3.94Å; Y17-F39 HydrophobicContact CD2-CZ 3.94Å; Y17-F39 AromaticContact CE1-CE2 3.59Å; Y17-F39 HydrophobicContact CE1-CE2 3.59Å; Y17-F39 AromaticContact CE1-CZ 3.87Å; Y17-F39 HydrophobicContact CE1-CZ 3.87Å; Y17-F39 HydrophobicContact CE2-CE2 4.49Å; Y17-F39 AromaticContact CE2-CZ 3.96Å; Y17-F39 HydrophobicContact CE2-CZ 3.96Å; Y17-F39 HydrophobicContact CG-CE2 4.21Å; Y17-F39 AromaticContact CG-CZ 3.83Å; Y17-F39 HydrophobicContact CG-CZ 3.83Å; Y17-F39 AromaticContact CZ-CZ 3.94Å; I25-F39 HydrophobicContact CD1-CD2 4.37Å; I25-F39 HydrophobicContact CD1-CE2 4.48Å; I25-F39 HydrophobicContact CG2-CD2 4.42Å; S27-F39 WeakPolarHBondContact O-CA 3.5Å; C28-F39 HydrophobicContact CB-CB 3.76Å; F37-F39 HydrophobicContact CD1-CD1 4.11Å; F37-F39 AromaticContact CE1-CD1 3.42Å; F37-F39 HydrophobicContact CE1-CD1 3.42Å; F37-F39 VanDerWaalsContact CE1-CD1 3.42Å; F37-F39 AromaticContact CE1-CE1 3.93Å; F37-F39 HydrophobicContact CE1-CE1 3.93Å; F37-F39 HydrophobicContact CE1-CG 4.42Å; F37-F39 HydrophobicContact CZ-CB 4.36Å; F37-F39 AromaticContact CZ-CD1 3.91Å; F37-F39 HydrophobicContact CZ-CD1 3.91Å; F39-D41 HydrophobicContact CE2-CB 4.28Å; F39-L47 HydrophobicContact CE2-CD1 4.43Å; F39-L47 HydrophobicContact CZ-CB 4.41Å; F39-L47 HydrophobicContact CZ-CD1 4.28Å; F39-L47 PolarHBondContact N-O 3.29Å; F39-L47 VanDerWaalsContact N-O 3.1Å; F39-L47 PolarHBondContact O-N 2.83Å; F39-Y49 HydrophobicContact CD1-CD2 4.45Å; F39-Y49 AromaticContact CE1-CD2 3.68Å; F39-Y49 HydrophobicContact CE1-CD2 3.68Å; F39-Y49 AromaticContact CE1-CE2 3.47Å; F39-Y49 HydrophobicContact CE1-CE2 3.47Å; F39-Y49 VanDerWaalsContact CE1-CE2 3.47Å; F39-Y49 HydrophobicContact CZ-CD2 4.46Å; F39-Y49 AromaticContact CZ-CE2 3.81Å; F39-Y49 HydrophobicContact CZ-CE2 3.81Å; F39-W102 HydrophobicContact CE1-CH2 4.43Å; F39-W102 AromaticContact CE1-CZ2 3.91Å; F39-W102 HydrophobicContact CE1-CZ2 3.91Å; F39-W102 HydrophobicContact CZ-CZ2 4.3Å; F39-V427 HydrophobicContact CB-CG2 4.3Å; F39-V427 HydrophobicContact CD1-CG2 4.27Å; F39-V427 HydrophobicContact CD2-CG2 3.57Å; F39-V427 HydrophobicContact CE1-CG2 4.49Å; F39-V427 HydrophobicContact CE2-CG2 3.86Å; F39-V427 HydrophobicContact CG-CG2 3.79Å; F39-V427 HydrophobicContact CZ-CG2 4.3Å |
| 40 | V | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 111.1 | 179 | -178.2 | 0 | 0 | 0 | 0 | 109.5 | I25 S27 Q42 V46 V131 M134 | I25-V40 WeakPolarHBondContact CG1-O 3.21Å; I25-V40 VanDerWaalsContact CG2-O 3.3Å; I25-V40 WeakPolarHBondContact CG2-O 3.32Å; S27-V40 PolarHBondContact O-N 3.18Å; S27-V40 VanDerWaalsContact O-N 3.13Å; S27-V40 VanDerWaalsContact OG-CG2 3.3Å; S27-V40 WeakPolarHBondContact OG-CG2 3.36Å; V40-Q42 WeakPolarHBondContact CG1-O 3.4Å; V40-V46 HydrophobicContact CG2-CG2 4.25Å; V40-V131 HydrophobicContact CG1-CB 4.3Å; V40-V131 HydrophobicContact CG2-CB 3.9Å; V40-V131 HydrophobicContact CG2-CG1 3.6Å; V40-M134 HydrophobicContact CG2-SD 4.35Å |
| 41 | D | 88.3 | Confident | 90.8 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 6% | 0.059 | 14% | 0.137 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -43.9 | 178.8 | 174.9 | 58.5 | 0 | 0 | 0 | 111.8 | Y17 F39 I45 L47 | Y17-D41 VanDerWaalsContact CE1-OD1 3.23Å; Y17-D41 WeakPolarHBondContact CE1-OD1 3.43Å; Y17-D41 VanDerWaalsContact CZ-OD1 3.32Å; Y17-D41 VanDerWaalsContact OH-CG 3.28Å; Y17-D41 PolarHBondContact OH-OD1 3.05Å; F39-D41 HydrophobicContact CE2-CB 4.28Å; D41-I45 PolarHBondContact N-O 3.25Å; D41-L47 HydrophobicContact CB-CD1 3.65Å; D41-L47 HydrophobicContact CB-CG 3.79Å |
| 42 | Q | 86.8 | Confident | 90.7 | Very high | 42 Ų | 42 | 31.7 Ų | 31.7 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 162.4 | 170.9 | -51.6 | -178.4 | 4.2 | 0 | 0 | 108.1 | H21 V40 Q44 I45 | H21-Q42 PolarHBondContact CD2-NE2 3.31Å; H21-Q42 PolarHBondContact NE2-NE2 3.03Å; V40-Q42 WeakPolarHBondContact CG1-O 3.4Å; Q42-Q44 PolarHBondContact O-N 3.46Å; Q42-I45 HydrophobicContact CB-CB 3.89Å; Q42-I45 HydrophobicContact CB-CD1 4.33Å; Q42-I45 HydrophobicContact CB-CG1 4Å; Q42-I45 VanDerWaalsContact CD-CD1 3.5Å; Q42-I45 HydrophobicContact CG-CB 4.21Å; Q42-I45 HydrophobicContact CG-CD1 4.18Å; Q42-I45 HydrophobicContact CG-CG1 4.34Å; Q42-I45 PolarHBondContact N-O 2.92Å; Q42-I45 PolarHBondContact O-N 3.03Å; Q42-I45 VanDerWaalsContact O-O 3.12Å |
| 43 | P | 86.4 | Confident | 90.8 | Very high | 43 Ų | 43 | 32.8 Ų | 32.8 | 28% | 0.279 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.8 | -35.2 | -177.8 | -28.8 | 35.8 | 0 | 0 | 0 | 113.3 | N23 D130 V131 | N23-P43 WeakPolarHBondContact ND2-CD 3.27Å; P43-D130 HydrophobicContact CB-CB 4.08Å; P43-D130 CarbonylContact O-C 3.35Å; P43-D130 WeakPolarHBondContact O-CA 3.3Å; P43-V131 PolarHBondContact O-N 3.43Å |
| 44 | Q | 89.8 | Confident | 91 | Very high | 76 Ų | 76 | 30 Ų | 30 | 36% | 0.355 | 15% | 0.15 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 10.7 | -179.5 | -55.8 | -176.8 | -8.6 | 0 | 0 | 114.4 | Q42 K126 T127 D130 | Q42-Q44 PolarHBondContact O-N 3.46Å; Q44-K126 WeakPolarHBondContact O-CA 3.4Å; Q44-T127 VanDerWaalsContact CA-OG1 3.26Å; Q44-T127 WeakPolarHBondContact CA-OG1 3.4Å; Q44-T127 PolarHBondContact O-N 3.37Å; Q44-T127 PolarHBondContact O-OG1 3.12Å; Q44-D130 WeakPolarHBondContact CG-OD1 3.2Å; Q44-D130 PolarHBondContact NE2-OD1 3.44Å |
| 45 | I | 90.5 | Very high | 91.1 | Very high | 18 Ų | 18 | 30.5 Ų | 30.5 | 9% | 0.092 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 119.8 | -174.5 | -55 | -169.3 | 0 | 0 | 0 | 110.6 | D41 Q42 L47 R124 I125 | D41-I45 PolarHBondContact N-O 3.25Å; Q42-I45 HydrophobicContact CB-CB 3.89Å; Q42-I45 HydrophobicContact CB-CD1 4.33Å; Q42-I45 HydrophobicContact CB-CG1 4Å; Q42-I45 VanDerWaalsContact CD-CD1 3.5Å; Q42-I45 HydrophobicContact CG-CB 4.21Å; Q42-I45 HydrophobicContact CG-CD1 4.18Å; Q42-I45 HydrophobicContact CG-CG1 4.34Å; Q42-I45 PolarHBondContact N-O 2.92Å; Q42-I45 PolarHBondContact O-N 3.03Å; Q42-I45 VanDerWaalsContact O-O 3.12Å; I45-L47 HydrophobicContact CG2-CD2 4.32Å; I45-R124 HydrophobicContact CG2-CG 3.86Å; I45-I125 WeakPolarHBondContact CA-O 3.2Å |
| 46 | V | 92.4 | Very high | 91 | Very high | 0 Ų | 0 | 25.1 Ų | 25.1 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 130.7 | 176.5 | -178.2 | 0 | 0 | 0 | 0 | 109.7 | A38 V40 R124 I125 V131 M134 L166 L168 | A38-V46 HydrophobicContact CB-CG1 4.29Å; V40-V46 HydrophobicContact CG2-CG2 4.25Å; V46-R124 WeakPolarHBondContact O-CA 3.44Å; V46-I125 HydrophobicContact CB-CB 4.36Å; V46-I125 PolarHBondContact N-O 3.28Å; V46-I125 PolarHBondContact O-N 3.43Å; V46-V131 HydrophobicContact CG2-CG2 4.06Å; V46-M134 HydrophobicContact CG1-CE 4.03Å; V46-L166 HydrophobicContact CG1-CD2 4.42Å; V46-L168 HydrophobicContact CB-CD1 4.45Å; V46-L168 HydrophobicContact CG1-CD2 4.49Å; V46-L168 HydrophobicContact CG2-CD1 3.77Å; V46-L168 HydrophobicContact CG2-CD2 4.08Å |
| 47 | L | 92.3 | Very high | 90.6 | Very high | 4 Ų | 4 | 24.3 Ų | 24.3 | 2% | 0.021 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 138.2 | 175.8 | -60.2 | -178.7 | 0 | 0 | 0 | 110.2 | Y17 A38 F39 D41 I45 Y49 P121 R124 | Y17-L47 WeakPolarHBondContact OH-CD1 3.44Å; A38-L47 WeakPolarHBondContact CA-O 3.25Å; A38-L47 WeakPolarHBondContact CB-O 3.46Å; F39-L47 HydrophobicContact CE2-CD1 4.43Å; F39-L47 HydrophobicContact CZ-CB 4.41Å; F39-L47 HydrophobicContact CZ-CD1 4.28Å; F39-L47 PolarHBondContact N-O 3.29Å; F39-L47 VanDerWaalsContact N-O 3.1Å; F39-L47 PolarHBondContact O-N 2.83Å; D41-L47 HydrophobicContact CB-CD1 3.65Å; D41-L47 HydrophobicContact CB-CG 3.79Å; I45-L47 HydrophobicContact CG2-CD2 4.32Å; L47-Y49 HydrophobicContact CB-CD2 4.48Å; L47-Y49 HydrophobicContact CB-CE2 3.83Å; L47-Y49 HydrophobicContact CD1-CE2 4.36Å; L47-P121 HydrophobicContact CB-CB 4.43Å; L47-P121 HydrophobicContact CD2-CB 4.29Å; L47-P121 HydrophobicContact CD2-CG 4.31Å; L47-R124 HydrophobicContact CD2-CB 3.93Å; L47-R124 HydrophobicContact CD2-CG 3.76Å |
| 48 | G | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | F37 P121 I122 F123 | F37-G48 CarbonylContact O-C 3.44Å; F37-G48 WeakPolarHBondContact O-CA 3.32Å; G48-P121 CarbonylContact O-C 3.54Å; G48-P121 VanDerWaalsContact O-CA 3.29Å; G48-P121 WeakPolarHBondContact O-CA 3.45Å; G48-P121 WeakPolarHBondContact O-CB 3.26Å; G48-I122 PolarHBondContact O-N 2.99Å; G48-F123 PolarHBondContact N-O 3.46Å |
| 49 | Y | 93.5 | Very high | 89.3 | Confident | 9 Ų | 9 | 28.6 Ų | 28.6 | 4% | 0.035 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 156.8 | -179.7 | -71.7 | -88.1 | 0 | 0 | 0 | 111.4 | F36 F37 F39 L47 W102 M119 P121 | F36-Y49 WeakPolarHBondContact CA-O 3.24Å; F37-Y49 PolarHBondContact N-O 3.28Å; F37-Y49 PolarHBondContact O-N 3.49Å; F39-Y49 HydrophobicContact CD1-CD2 4.45Å; F39-Y49 AromaticContact CE1-CD2 3.68Å; F39-Y49 HydrophobicContact CE1-CD2 3.68Å; F39-Y49 AromaticContact CE1-CE2 3.47Å; F39-Y49 HydrophobicContact CE1-CE2 3.47Å; F39-Y49 VanDerWaalsContact CE1-CE2 3.47Å; F39-Y49 HydrophobicContact CZ-CD2 4.46Å; F39-Y49 AromaticContact CZ-CE2 3.81Å; F39-Y49 HydrophobicContact CZ-CE2 3.81Å; L47-Y49 HydrophobicContact CB-CD2 4.48Å; L47-Y49 HydrophobicContact CB-CE2 3.83Å; L47-Y49 HydrophobicContact CD1-CE2 4.36Å; Y49-W102 HydrophobicContact CD2-CZ2 4.21Å; Y49-W102 AromaticContact CE1-NE1 3.36Å; Y49-W102 HydrophobicContact CE2-CZ2 4.08Å; Y49-W102 AromaticContact CE2-NE1 3.93Å; Y49-W102 HydrophobicContact CG-CZ2 4.48Å; Y49-W102 AromaticContact CZ-NE1 3.23Å; Y49-W102 PolarHBondContact OH-NE1 2.77Å; Y49-M119 HydrophobicContact CD1-CB 4.48Å; Y49-M119 HydrophobicContact CE1-CB 4.15Å; Y49-P121 HydrophobicContact CE1-CB 4.11Å; Y49-P121 HydrophobicContact CE2-CB 4.23Å |
| 50 | C | 92 | Very high | 88.6 | Confident | 25 Ų | 25 | 32.4 Ų | 32.4 | 17% | 0.169 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 131.3 | 172.2 | -164.8 | 0 | 0 | 0 | 0 | 109.2 | N52 D53 L54 I122 | C50-N52 PolarHBondContact O-N 3.36Å; C50-D53 HydrophobicContact CB-CB 4Å; C50-D53 WeakPolarHBondContact CB-OD2 3.28Å; C50-D53 PolarHBondContact O-N 2.77Å; C50-L54 PolarHBondContact O-N 3.03Å; C50-I122 HydrophobicContact CB-CD1 3.77Å; C50-I122 HydrophobicContact CB-CG1 4.49Å; C50-I122 VanDerWaalsContact N-CD1 3.26Å |
| 51 | V | 92.2 | Very high | 87.2 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64.8 | -31.8 | 174.2 | 176.9 | 0 | 0 | 0 | 0 | 111 | F30 G34 R35 F37 L54 L55 | F30-V51 HydrophobicContact CD1-CG2 3.78Å; F30-V51 HydrophobicContact CE1-CG2 4.06Å; G34-V51 VanDerWaalsContact O-CB 3.28Å; G34-V51 WeakPolarHBondContact O-CB 3.47Å; G34-V51 WeakPolarHBondContact O-CG2 3.34Å; R35-V51 PolarHBondContact O-N 3.15Å; F37-V51 HydrophobicContact CB-CG2 4.13Å; V51-L54 PolarHBondContact O-N 2.96Å; V51-L55 HydrophobicContact CG1-CD1 3.9Å; V51-L55 HydrophobicContact CG1-CG 4.22Å; V51-L55 WeakPolarHBondContact O-CB 3.16Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.25Å; V51-L55 PolarHBondContact O-N 2.91Å |
| 52 | N | 90.9 | Very high | 85.9 | Confident | 101 Ų | 101 | 44.2 Ų | 44.2 | 54% | 0.54 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -67.5 | -35.9 | 177.7 | -67 | -19.2 | 0 | 0 | 0 | 112.4 | C50 L55 S56 | C50-N52 PolarHBondContact O-N 3.36Å; N52-L55 PolarHBondContact O-N 3.47Å; N52-S56 WeakPolarHBondContact O-CB 3.13Å; N52-S56 PolarHBondContact O-N 3.28Å; N52-S56 PolarHBondContact O-OG 2.64Å; N52-S56 VanDerWaalsContact O-OG 3.13Å |
| 53 | D | 89.6 | Confident | 84.5 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 42% | 0.422 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -68.6 | -40.7 | 176.6 | -59.3 | -14.1 | 0 | 0 | 0 | 110.1 | C50 S56 T57 | C50-D53 HydrophobicContact CB-CB 4Å; C50-D53 WeakPolarHBondContact CB-OD2 3.28Å; C50-D53 PolarHBondContact O-N 2.77Å; D53-S56 PolarHBondContact O-OG 3.09Å; D53-T57 WeakPolarHBondContact O-CB 3.32Å; D53-T57 WeakPolarHBondContact O-CG2 3.23Å; D53-T57 PolarHBondContact O-N 3.47Å; D53-T57 PolarHBondContact O-OG1 3.25Å |
| 54 | L | 89.3 | Confident | 83 | Confident | 2 Ų | 2 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.8 | -44.5 | 171.8 | -67 | 170.8 | 0 | 0 | 0 | 111.9 | F37 C50 V51 T57 C58 W102 M119 I417 | F37-L54 HydrophobicContact CB-CD1 3.85Å; F37-L54 HydrophobicContact CD1-CD1 3.58Å; F37-L54 HydrophobicContact CE1-CD1 4.43Å; F37-L54 HydrophobicContact CG-CD1 3.95Å; C50-L54 PolarHBondContact O-N 3.03Å; V51-L54 PolarHBondContact O-N 2.96Å; L54-T57 WeakPolarHBondContact CA-OG1 3.4Å; L54-T57 PolarHBondContact O-N 3.14Å; L54-T57 PolarHBondContact O-OG1 3.41Å; L54-C58 VanDerWaalsContact O-CB 3.29Å; L54-C58 WeakPolarHBondContact O-CB 3.44Å; L54-C58 PolarHBondContact O-N 3.21Å; L54-C58 PolarHBondContact O-SG 3.19Å; L54-W102 HydrophobicContact CD2-CH2 3.84Å; L54-W102 HydrophobicContact CD2-CZ2 4.05Å; L54-W102 HydrophobicContact CD2-CZ3 4.27Å; L54-M119 HydrophobicContact CD2-CE 3.89Å; L54-M119 HydrophobicContact CD2-SD 4.05Å; L54-I417 HydrophobicContact CB-CD1 4.14Å |
| 55 | L | 88.4 | Confident | 80.9 | Confident | 27 Ų | 27 | 47.1 Ų | 47.1 | 14% | 0.141 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.7 | -47.1 | 178.3 | -79.2 | 166.8 | 0 | 0 | 0 | 112.1 | V51 N52 C58 L59 R416 I417 | V51-L55 HydrophobicContact CG1-CD1 3.9Å; V51-L55 HydrophobicContact CG1-CG 4.22Å; V51-L55 WeakPolarHBondContact O-CB 3.16Å; V51-L55 VanDerWaalsContact O-CG 3.31Å; V51-L55 WeakPolarHBondContact O-CG 3.25Å; V51-L55 PolarHBondContact O-N 2.91Å; N52-L55 PolarHBondContact O-N 3.47Å; L55-C58 PolarHBondContact O-N 3.49Å; L55-L59 HydrophobicContact CD2-CD1 4.25Å; L55-L59 VanDerWaalsContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CB 3.12Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 3.35Å; L55-R416 HydrophobicContact CD2-CB 3.96Å; L55-I417 HydrophobicContact CB-CD1 4.35Å; L55-I417 HydrophobicContact CD2-CD1 3.41Å; L55-I417 VanDerWaalsContact CD2-CD1 3.41Å; L55-I417 HydrophobicContact CD2-CG1 3.66Å; L55-I417 HydrophobicContact CG-CD1 3.55Å; L55-I417 HydrophobicContact CG-CG1 4.35Å |
| 56 | S | 87.5 | Confident | 78.4 | Confident | 54 Ų | 54 | 51.5 Ų | 51.5 | 38% | 0.378 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -61.6 | -45.8 | 178.9 | 61 | 0 | 0 | 0 | 0 | 111.2 | N52 D53 C58 L59 N60 | N52-S56 WeakPolarHBondContact O-CB 3.13Å; N52-S56 PolarHBondContact O-N 3.28Å; N52-S56 PolarHBondContact O-OG 2.64Å; N52-S56 VanDerWaalsContact O-OG 3.13Å; D53-S56 PolarHBondContact O-OG 3.09Å; S56-C58 PolarHBondContact O-N 3.21Å; S56-L59 PolarHBondContact O-N 2.76Å; S56-N60 VanDerWaalsContact O-CB 3.28Å; S56-N60 WeakPolarHBondContact O-CB 3.42Å; S56-N60 PolarHBondContact O-N 3.43Å; S56-N60 PolarHBondContact O-ND2 2.93Å; S56-N60 PolarHBondContact O-OD1 3.41Å; S56-N60 VanDerWaalsContact O-OD1 3.11Å |
| 57 | T | 86.2 | Confident | 75.5 | Confident | 18 Ų | 18 | 56.6 Ų | 56.6 | 11% | 0.11 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -64.6 | -39.9 | 177.9 | 50.3 | 0 | 0 | 0 | 0 | 112.9 | I15 D53 L54 N63 V117 M119 | I15-T57 VanDerWaalsContact CD1-OG1 3.23Å; I15-T57 WeakPolarHBondContact CD1-OG1 3.06Å; D53-T57 WeakPolarHBondContact O-CB 3.32Å; D53-T57 WeakPolarHBondContact O-CG2 3.23Å; D53-T57 PolarHBondContact O-N 3.47Å; D53-T57 PolarHBondContact O-OG1 3.25Å; L54-T57 WeakPolarHBondContact CA-OG1 3.4Å; L54-T57 PolarHBondContact O-N 3.14Å; L54-T57 PolarHBondContact O-OG1 3.41Å; T57-N63 PolarHBondContact O-ND2 2.86Å; T57-V117 HydrophobicContact CG2-CG1 4.19Å; T57-M119 HydrophobicContact CG2-CG 4.3Å; T57-M119 HydrophobicContact CG2-SD 3.75Å |
| 58 | C | 83.6 | Confident | 72.6 | Confident | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 177 | -73.7 | 0 | 0 | 0 | 0 | 113.4 | I15 L54 L55 S56 T431 | I15-C58 HydrophobicContact CD1-CB 4.39Å; I15-C58 WeakPolarHBondContact CD1-SG 3.42Å; L54-C58 VanDerWaalsContact O-CB 3.29Å; L54-C58 WeakPolarHBondContact O-CB 3.44Å; L54-C58 PolarHBondContact O-N 3.21Å; L54-C58 PolarHBondContact O-SG 3.19Å; L55-C58 PolarHBondContact O-N 3.49Å; S56-C58 PolarHBondContact O-N 3.21Å; C58-T431 HydrophobicContact CB-CG2 3.61Å |
| 59 | L | 78.8 | Confident | 69.5 | Low | 90 Ų | 90 | 69.1 Ų | 69.1 | 47% | 0.471 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -98 | -6.2 | -171.6 | -62.7 | 174 | 0 | 0 | 0 | 114 | L55 S56 E61 T431 | L55-L59 HydrophobicContact CD2-CD1 4.25Å; L55-L59 VanDerWaalsContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CB 3.12Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.39Å; L55-L59 PolarHBondContact O-N 3.35Å; S56-L59 PolarHBondContact O-N 2.76Å; L59-E61 PolarHBondContact O-N 2.81Å; L59-T431 HydrophobicContact CD2-CG2 4.4Å |
| 60 | N | 78.3 | Confident | 66.5 | Low | 80 Ų | 80 | 74.3 Ų | 74.3 | 43% | 0.428 | 42% | 0.421 | S | S | . | . | trans | -65.9 | 105 | 177.5 | -83.5 | -13.5 | 0 | 0 | 0 | 111.4 | S56 N62 N63 F64 | S56-N60 VanDerWaalsContact O-CB 3.28Å; S56-N60 WeakPolarHBondContact O-CB 3.42Å; S56-N60 PolarHBondContact O-N 3.43Å; S56-N60 PolarHBondContact O-ND2 2.93Å; S56-N60 PolarHBondContact O-OD1 3.41Å; S56-N60 VanDerWaalsContact O-OD1 3.11Å; N60-N62 PolarHBondContact O-N 3.18Å; N60-N63 WeakPolarHBondContact O-CB 3.19Å; N60-N63 PolarHBondContact O-N 2.91Å; N60-N63 VanDerWaalsContact O-N 3.14Å; N60-F64 WeakPolarHBondContact O-CD2 3.48Å | ||
| 61 | E | 62.4 | Low | 63.5 | Low | 136 Ų | 136 | 81.4 Ų | 81.4 | 64% | 0.636 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -58.7 | -29.7 | 178.9 | -66.1 | -172.9 | 169.6 | 0 | 0 | 113.7 | L59 N63 F64 K65 | L59-E61 PolarHBondContact O-N 2.81Å; E61-N63 PolarHBondContact O-N 3.47Å; E61-F64 PolarHBondContact O-N 3.22Å; E61-K65 PolarHBondContact O-N 2.99Å |
| 62 | N | 59.8 | Low | 60.2 | Low | 123 Ų | 123 | 86.7 Ų | 86.7 | 66% | 0.658 | 49% | 0.486 | S | S | * | . | G | 310 helix | trans | -63.1 | -25.9 | 179.5 | -72.3 | -17.1 | 0 | 0 | 0 | 113 | N60 F64 | N60-N62 PolarHBondContact O-N 3.18Å; N62-F64 PolarHBondContact O-N 3.46Å |
| 63 | N | 58.3 | Low | 57.1 | Low | 51 Ų | 51 | 90.4 Ų | 90.4 | 27% | 0.273 | 50% | 0.501 | S | S | . | . | G | 310 helix | trans | -71.3 | -13.9 | 177 | -66.8 | -23.3 | 0 | 0 | 0 | 112.9 | T57 N60 E61 I104 | T57-N63 PolarHBondContact O-ND2 2.86Å; N60-N63 WeakPolarHBondContact O-CB 3.19Å; N60-N63 PolarHBondContact O-N 2.91Å; N60-N63 VanDerWaalsContact O-N 3.14Å; E61-N63 PolarHBondContact O-N 3.47Å; N63-I104 HydrophobicContact CB-CD1 3.89Å; N63-I104 WeakPolarHBondContact ND2-CD1 3.29Å |
| 64 | F | 53.8 | Low | 54 | Low | 37 Ų | 37 | 92.9 Ų | 92.9 | 16% | 0.162 | 52% | 0.519 | C | S | . | . | G | 310 helix | trans | -111.1 | -3.2 | -176.1 | -57.5 | -69.5 | 0 | 0 | 0 | 113.6 | R12 N60 E61 N62 P66 I104 | R12-F64 VanDerWaalsContact NH2-CZ 3.33Å; N60-F64 WeakPolarHBondContact O-CD2 3.48Å; E61-F64 PolarHBondContact O-N 3.22Å; N62-F64 PolarHBondContact O-N 3.46Å; F64-P66 WeakPolarHBondContact O-CD 3.49Å; F64-I104 HydrophobicContact CE1-CG2 3.91Å; F64-I104 HydrophobicContact CZ-CG2 4.2Å |
| 65 | K | 46 | Very low | 51 | Low | 135 Ų | 135 | 97.4 Ų | 97.4 | 59% | 0.587 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -77.7 | 117.7 | 169.2 | -71.5 | 178.4 | -177.8 | 166.2 | 0 | 107.3 | E61 S67 | E61-K65 PolarHBondContact O-N 2.99Å; K65-S67 PolarHBondContact O-N 2.84Å; K65-S67 VanDerWaalsContact O-N 3.13Å |
| 66 | P | 37.1 | Very low | 48 | Very low | 110 Ų | 110 | 101.5 Ų | 101.5 | 71% | 0.714 | 58% | 0.582 | S | S | * | * | trans | -55.4 | 126.3 | 167.4 | 23.3 | -30.6 | 0 | 0 | 0 | 107 | F64 L68 | F64-P66 WeakPolarHBondContact O-CD 3.49Å; P66-L68 PolarHBondContact O-N 2.79Å | ||
| 67 | S | 32.2 | Very low | 45.1 | Very low | 106 Ų | 106 | 106.6 Ų | 106.6 | 74% | 0.741 | 60% | 0.604 | S | S | * | * | trans | -54.8 | 105.2 | 176.9 | 47.9 | 0 | 0 | 0 | 0 | 108.9 | K65 S69 | K65-S67 PolarHBondContact O-N 2.84Å; K65-S67 VanDerWaalsContact O-N 3.13Å; S67-S69 PolarHBondContact O-N 3.24Å | ||
| 68 | L | 30.5 | Very low | 42.1 | Very low | 177 Ų | 177 | 114.2 Ų | 114.2 | 93% | 0.927 | 64% | 0.643 | S | S | * | * | trans | -77.2 | 63.4 | 173.4 | -126.7 | 106.1 | 0 | 0 | 0 | 108.6 | P66 | P66-L68 PolarHBondContact O-N 2.79Š| ||
| 69 | S | 28.8 | Very low | 39.4 | Very low | 90 Ų | 90 | 119.3 Ų | 119.3 | 63% | 0.629 | 68% | 0.678 | S | S | * | * | trans | -166.2 | 86.8 | 173.5 | 60.8 | 0 | 0 | 0 | 0 | 112.8 | S67 | S67-S69 PolarHBondContact O-N 3.24Š| ||
| 70 | S | 31.4 | Very low | 36.7 | Very low | 119 Ų | 119 | 122.4 Ų | 122.4 | 83% | 0.832 | 70% | 0.696 | S | S | * | * | -133 | 95.8 | 127.9 | 60.1 | 0 | 0 | 0 | 0 | 105.8 | C72 | S70-C72 PolarHBondContact O-N 2.91Š| |||
| 71 | H | 28.3 | Very low | 34.2 | Very low | 174 Ų | 174 | 126.5 Ų | 126.5 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | trans | -45.5 | 126.1 | 176.1 | -89.9 | -81.3 | 0 | 0 | 0 | 110.6 | Q73 | H71-Q73 VanDerWaalsContact C-N 3.33Å; H71-Q73 PolarHBondContact O-N 2.73Å | ||
| 72 | C | 22.8 | Very low | 32.4 | Very low | 111 Ų | 111 | 127.1 Ų | 127.1 | 75% | 0.75 | 72% | 0.724 | S | S | * | * | trans | -50.2 | 101 | 154.2 | -64.6 | 0 | 0 | 0 | 0 | 108.2 | S70 T74 | S70-C72 PolarHBondContact O-N 2.91Å; C72-T74 HydrophobicContact CB-CG2 4.4Å; C72-T74 PolarHBondContact O-N 2.93Å; C72-T74 VanDerWaalsContact O-N 3.09Å | ||
| 73 | Q | 26.7 | Very low | 30.7 | Very low | 179 Ų | 179 | 126.7 Ų | 126.7 | 84% | 0.836 | 73% | 0.726 | S | S | * | * | trans | -76.4 | 86.2 | 155.8 | -75.3 | -175.7 | -9.4 | 0 | 0 | 106.4 | H71 S75 | H71-Q73 VanDerWaalsContact C-N 3.33Å; H71-Q73 PolarHBondContact O-N 2.73Å; Q73-S75 PolarHBondContact O-N 2.77Å | ||
| 74 | T | 23 | Very low | 29.1 | Very low | 131 Ų | 131 | 131.3 Ų | 131.3 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -67.4 | 85.1 | 159.5 | 45.6 | 0 | 0 | 0 | 0 | 107.5 | C72 | C72-T74 HydrophobicContact CB-CG2 4.4Å; C72-T74 PolarHBondContact O-N 2.93Å; C72-T74 VanDerWaalsContact O-N 3.09Å | ||
| 75 | S | 26.7 | Very low | 27.8 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -98.3 | 100.1 | 163.1 | 57.1 | 0 | 0 | 0 | 0 | 108.4 | Q73 L77 | Q73-S75 PolarHBondContact O-N 2.77Å; S75-L77 PolarHBondContact O-N 3.03Å | ||
| 76 | S | 25.1 | Very low | 26.8 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -47.3 | 109.9 | 161.4 | 49.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 77 | L | 27.7 | Very low | 26.1 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -140 | 97 | 153.8 | -79.2 | 175.9 | 0 | 0 | 0 | 108.7 | S75 | S75-L77 PolarHBondContact O-N 3.03Š| ||
| 78 | L | 22.8 | Very low | 25.9 | Very low | 178 Ų | 178 | 139.8 Ų | 139.8 | 93% | 0.932 | 80% | 0.798 | S | S | * | * | trans | -64 | 117.1 | 150.7 | -75.4 | 156.8 | 0 | 0 | 0 | 107.8 | ||||
| 79 | S | 26 | Very low | 25.6 | Very low | 107 Ų | 107 | 137.1 Ų | 137.1 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | -171.2 | 124.7 | 142 | 51 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 80 | D | 22.8 | Very low | 25.4 | Very low | 156 Ų | 156 | 139 Ų | 139 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -46.8 | 131.1 | 172.5 | -57.3 | -59.3 | 0 | 0 | 0 | 112 | ||||
| 81 | D | 26.5 | Very low | 25 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | -161.3 | 143.1 | 135 | -100.9 | -26.6 | 0 | 0 | 0 | 111.6 | ||||
| 82 | I | 24.2 | Very low | 24.9 | Very low | 148 Ų | 148 | 141.5 Ų | 141.5 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | trans | -89.3 | 150.5 | -161.8 | -61.4 | 165.3 | 0 | 0 | 0 | 109.8 | ||||
| 83 | T | 24.7 | Very low | 25.1 | Very low | 115 Ų | 115 | 140 Ų | 140 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 103 | 108.6 | 156.1 | 68.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 84 | N | 24.2 | Very low | 25 | Very low | 148 Ų | 148 | 137.9 Ų | 137.9 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 48.3 | 95 | 135 | -61.9 | -12 | 0 | 0 | 0 | 118.2 | ||||
| 85 | N | 26.5 | Very low | 25.3 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | -160.1 | 128.3 | 120.8 | -90.1 | -32.2 | 0 | 0 | 0 | 109.5 | E87 | N85-E87 PolarHBondContact O-N 3.16Å; N85-E87 VanDerWaalsContact O-N 3.08Å | |||
| 86 | T | 25.6 | Very low | 25.4 | Very low | 146 Ų | 146 | 138 Ų | 138 | 90% | 0.896 | 77% | 0.774 | S | S | * | * | trans | -64.6 | 102.5 | -179.2 | 43.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 87 | E | 22.6 | Very low | 26.1 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 73% | 0.729 | 77% | 0.774 | S | S | * | * | trans | -75.2 | 116.8 | 164.4 | -78.7 | -175.6 | 158.2 | 0 | 0 | 110.3 | N85 L89 | N85-E87 PolarHBondContact O-N 3.16Å; N85-E87 VanDerWaalsContact O-N 3.08Å; E87-L89 HydrophobicContact CB-CG 4.18Å; E87-L89 HydrophobicContact CG-CG 4.48Å; E87-L89 WeakPolarHBondContact OE2-CD1 3.38Å | ||
| 88 | S | 26.4 | Very low | 26.8 | Very low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | trans | -100 | 92.4 | 144.9 | 45.1 | 0 | 0 | 0 | 0 | 106.1 | N90 | S88-N90 PolarHBondContact O-N 3.47Š| ||
| 89 | L | 24.7 | Very low | 28.3 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 63% | 0.628 | 76% | 0.756 | S | S | * | * | trans | -66 | 85.9 | 173.4 | -77.9 | 158.7 | 0 | 0 | 0 | 108.8 | E87 F91 | E87-L89 HydrophobicContact CB-CG 4.18Å; E87-L89 HydrophobicContact CG-CG 4.48Å; E87-L89 WeakPolarHBondContact OE2-CD1 3.38Å; L89-F91 PolarHBondContact O-N 2.87Å | ||
| 90 | N | 24.6 | Very low | 30.2 | Very low | 131 Ų | 131 | 130.4 Ų | 130.4 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -67.2 | 95.3 | 166.5 | -86 | -24.1 | 0 | 0 | 0 | 108.6 | S88 H92 | S88-N90 PolarHBondContact O-N 3.47Å; N90-H92 PolarHBondContact O-N 2.88Å | ||
| 91 | F | 24.1 | Very low | 33.2 | Very low | 191 Ų | 191 | 125.4 Ų | 125.4 | 84% | 0.838 | 70% | 0.7 | S | S | * | * | trans | -68 | 66.9 | 158.5 | -87.2 | -83.8 | 0 | 0 | 0 | 109.7 | L89 A93 | L89-F91 PolarHBondContact O-N 2.87Å; F91-A93 PolarHBondContact O-N 3.17Å | ||
| 92 | H | 25.6 | Very low | 36.1 | Very low | 153 Ų | 153 | 117.5 Ų | 117.5 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | trans | -81.5 | 83.4 | 152.5 | -87.2 | -68.8 | 0 | 0 | 0 | 106.6 | N90 N94 | N90-H92 PolarHBondContact O-N 2.88Å; H92-N94 VanDerWaalsContact C-N 3.31Å; H92-N94 PolarHBondContact O-N 2.77Å | ||
| 93 | A | 27.9 | Very low | 39.1 | Very low | 81 Ų | 81 | 114.2 Ų | 114.2 | 67% | 0.669 | 64% | 0.638 | S | S | * | * | trans | -57.7 | 105.7 | 157.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | F91 C95 | F91-A93 PolarHBondContact O-N 3.17Å; A93-C95 PolarHBondContact O-N 2.95Å | ||
| 94 | N | 24.4 | Very low | 42 | Very low | 133 Ų | 133 | 108.9 Ų | 108.9 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | trans | -60.1 | 83.4 | 170.8 | -78.4 | -26 | 0 | 0 | 0 | 108.7 | H92 T96 | H92-N94 VanDerWaalsContact C-N 3.31Å; H92-N94 PolarHBondContact O-N 2.77Å; N94-T96 HydrophobicContact CB-CG2 4.33Å; N94-T96 PolarHBondContact O-N 2.91Å | ||
| 95 | C | 27.7 | Very low | 44.7 | Very low | 131 Ų | 131 | 101.9 Ų | 101.9 | 89% | 0.885 | 57% | 0.568 | S | S | * | * | trans | -73.8 | 64.1 | 155.2 | -76 | 0 | 0 | 0 | 0 | 107.9 | A93 | A93-C95 PolarHBondContact O-N 2.95Š| ||
| 96 | T | 30.5 | Very low | 46.7 | Very low | 100 Ų | 100 | 97.3 Ų | 97.3 | 61% | 0.613 | 55% | 0.546 | S | S | * | . | trans | -86.6 | 129.6 | 165.1 | 47.6 | 0 | 0 | 0 | 0 | 107.5 | N94 | N94-T96 HydrophobicContact CB-CG2 4.33Å; N94-T96 PolarHBondContact O-N 2.91Å | ||
| 97 | D | 38.4 | Very low | 48.7 | Very low | 147 Ų | 147 | 92.2 Ų | 92.2 | 79% | 0.786 | 52% | 0.517 | S | S | * | . | S | Bend | trans | 90.4 | 64.5 | 171.2 | -55.6 | -21.5 | 0 | 0 | 0 | 118.4 | ||
| 98 | S | 41.9 | Very low | 50.9 | Low | 77 Ų | 77 | 88.8 Ų | 88.8 | 54% | 0.538 | 50% | 0.5 | S | S | . | . | trans | -149.4 | 77.7 | 138.4 | 54.9 | 0 | 0 | 0 | 0 | 110.6 | G100 | S98-G100 PolarHBondContact O-N 2.69Š| ||
| 99 | N | 54.2 | Low | 52.7 | Low | 162 Ų | 162 | 89.1 Ų | 89.1 | 87% | 0.866 | 49% | 0.493 | S | S | * | . | trans | -70 | 62.4 | 177.3 | -76.6 | -15.8 | 0 | 0 | 0 | 112 | ||||
| 100 | G | 67.5 | Low | 54.4 | Low | 14 Ų | 14 | 85.6 Ų | 85.6 | 14% | 0.144 | 48% | 0.475 | C | S | . | . | trans | -78.9 | 128 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.4 | S98 W102 | S98-G100 PolarHBondContact O-N 2.69Å; G100-W102 PolarHBondContact O-N 3.26Å | ||
| 101 | N | 84.6 | Confident | 56.2 | Low | 50 Ų | 50 | 90.2 Ų | 90.2 | 27% | 0.267 | 48% | 0.483 | S | S | . | . | S | Bend | trans | -64.7 | -23.6 | 174.8 | -68.7 | -4.2 | 0 | 0 | 0 | 112 | Y17 H18 V20 | Y17-N101 WeakPolarHBondContact CA-O 3.33Å; Y17-N101 HydrophobicContact CD2-CB 3.66Å; Y17-N101 HydrophobicContact CE2-CB 3.23Å; Y17-N101 PolarHBondContact OH-ND2 2.61Å; H18-N101 PolarHBondContact N-O 3.31Å; H18-N101 WeakPolarHBondContact O-CB 3.46Å; V20-N101 WeakPolarHBondContact CG2-OD1 3.21Å |
| 102 | W | 88.3 | Confident | 58.1 | Low | 1 Ų | 1 | 82.2 Ų | 82.2 | 0% | 0.004 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 138.5 | 176.6 | -70 | 99.8 | 0 | 0 | 0 | 111.4 | I15 A16 Y17 F37 F39 Y49 L54 G100 V117 M119 V429 | I15-W102 HydrophobicContact CB-CE3 4.46Å; I15-W102 HydrophobicContact CG2-CD2 4.43Å; I15-W102 HydrophobicContact CG2-CE3 3.45Å; I15-W102 VanDerWaalsContact CG2-CE3 3.45Å; I15-W102 HydrophobicContact CG2-CZ3 3.99Å; A16-W102 CarbonylContact O-C 3.57Å; A16-W102 WeakPolarHBondContact O-CA 3.28Å; Y17-W102 AromaticContact CD2-CD1 3.75Å; Y17-W102 AromaticContact CD2-CD2 3.75Å; Y17-W102 HydrophobicContact CD2-CD2 3.75Å; Y17-W102 AromaticContact CD2-CE2 3.54Å; Y17-W102 HydrophobicContact CD2-CE3 4.41Å; Y17-W102 AromaticContact CD2-CG 3.94Å; Y17-W102 HydrophobicContact CD2-CG 3.94Å; Y17-W102 HydrophobicContact CD2-CZ2 4.08Å; Y17-W102 AromaticContact CD2-NE1 3.48Å; Y17-W102 AromaticContact CE2-NE1 3.98Å; Y17-W102 HydrophobicContact CG-CD2 4.32Å; Y17-W102 HydrophobicContact CG-CZ2 4.43Å; F37-W102 HydrophobicContact CE1-CH2 4.45Å; F39-W102 HydrophobicContact CE1-CH2 4.43Å; F39-W102 AromaticContact CE1-CZ2 3.91Å; F39-W102 HydrophobicContact CE1-CZ2 3.91Å; F39-W102 HydrophobicContact CZ-CZ2 4.3Å; Y49-W102 HydrophobicContact CD2-CZ2 4.21Å; Y49-W102 AromaticContact CE1-NE1 3.36Å; Y49-W102 HydrophobicContact CE2-CZ2 4.08Å; Y49-W102 AromaticContact CE2-NE1 3.93Å; Y49-W102 HydrophobicContact CG-CZ2 4.48Å; Y49-W102 AromaticContact CZ-NE1 3.23Å; Y49-W102 PolarHBondContact OH-NE1 2.77Å; L54-W102 HydrophobicContact CD2-CH2 3.84Å; L54-W102 HydrophobicContact CD2-CZ2 4.05Å; L54-W102 HydrophobicContact CD2-CZ3 4.27Å; G100-W102 PolarHBondContact O-N 3.26Å; W102-V117 HydrophobicContact CB-CB 4.39Å; W102-V117 WeakPolarHBondContact CB-O 3.26Å; W102-V117 PolarHBondContact O-N 3.18Å; W102-M119 HydrophobicContact CB-CE 3.68Å; W102-M119 HydrophobicContact CD2-CE 3.32Å; W102-M119 HydrophobicContact CE3-CE 3.74Å; W102-M119 HydrophobicContact CG-CB 4.37Å; W102-M119 HydrophobicContact CG-CE 3.33Å; W102-M119 HydrophobicContact CZ2-CE 4.45Å; W102-M119 HydrophobicContact CZ3-CE 4.43Å; W102-V429 HydrophobicContact CH2-CG2 4.01Å; W102-V429 HydrophobicContact CZ3-CG2 3.77Å |
| 103 | K | 86.6 | Confident | 60.3 | Low | 78 Ų | 78 | 81.2 Ų | 81.2 | 34% | 0.339 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 132 | 174.8 | -57.2 | -175.3 | -173 | 170.2 | 0 | 110.6 | I15 A16 A114 L115 | I15-K103 CarbonylContact C-O 3.52Å; I15-K103 WeakPolarHBondContact CA-O 3.45Å; I15-K103 WeakPolarHBondContact CG2-O 3.29Å; A16-K103 PolarHBondContact N-O 3.09Å; A16-K103 PolarHBondContact O-N 2.95Å; K103-A114 HydrophobicContact CB-CB 4.04Å; K103-A114 HydrophobicContact CD-CB 3.97Å; K103-L115 CarbonylContact C-O 3.56Å; K103-L115 VanDerWaalsContact CA-O 3.29Å; K103-L115 WeakPolarHBondContact CA-O 3.43Å |
| 104 | I | 85 | Confident | 62.7 | Low | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.015 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 127.5 | 167.4 | -70.8 | 164.3 | 0 | 0 | 0 | 107.8 | I15 N63 F64 A114 L115 V117 | I15-I104 HydrophobicContact CD1-CG1 4.31Å; I15-I104 HydrophobicContact CG1-CG1 4.1Å; N63-I104 HydrophobicContact CB-CD1 3.89Å; N63-I104 WeakPolarHBondContact ND2-CD1 3.29Å; F64-I104 HydrophobicContact CE1-CG2 3.91Å; F64-I104 HydrophobicContact CZ-CG2 4.2Å; I104-A114 CarbonylContact O-C 3.56Å; I104-A114 VanDerWaalsContact O-CA 3.25Å; I104-A114 WeakPolarHBondContact O-CA 3.31Å; I104-L115 PolarHBondContact N-O 3.47Å; I104-L115 PolarHBondContact O-N 2.95Å; I104-V117 HydrophobicContact CB-CG2 4.29Å; I104-V117 HydrophobicContact CD1-CG2 3.29Å; I104-V117 HydrophobicContact CG1-CG2 3.45Å; I104-V117 VanDerWaalsContact CG1-CG2 3.45Å |
| 105 | L | 81.3 | Confident | 65.5 | Low | 2 Ų | 2 | 77.2 Ų | 77.2 | 1% | 0.01 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 121 | 177.1 | -62 | 174.3 | 0 | 0 | 0 | 108.5 | L13 S14 A16 L110 A114 | L13-L105 HydrophobicContact CD1-CD1 4.09Å; L13-L105 HydrophobicContact CD2-CD1 3.47Å; L13-L105 VanDerWaalsContact CD2-CD1 3.47Å; L13-L105 HydrophobicContact CG-CD1 3.64Å; S14-L105 PolarHBondContact O-N 3.14Å; A16-L105 HydrophobicContact CB-CD1 3.89Å; A16-L105 HydrophobicContact CB-CG 4.32Å; L105-L110 HydrophobicContact CD1-CD2 4.41Å; L105-A114 HydrophobicContact CD2-CB 3.88Å |
| 106 | T | 69.3 | Low | 68 | Low | 63 Ų | 63 | 74 Ų | 74 | 39% | 0.387 | 41% | 0.405 | S | S | . | . | S | Bend | trans | -85.1 | -23.2 | 177.4 | 63.4 | 0 | 0 | 0 | 0 | 111.7 | D113 L115 | T106-D113 PolarHBondContact N-O 2.7Å; T106-D113 VanDerWaalsContact N-O 3.11Å; T106-D113 WeakPolarHBondContact OG1-CB 3.49Å; T106-D113 PolarHBondContact OG1-O 3.08Å; T106-L115 HydrophobicContact CG2-CD1 4.35Å |
| 107 | S | 67.9 | Low | 70.6 | Confident | 40 Ų | 40 | 70.6 Ų | 70.6 | 28% | 0.28 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -102 | 152.7 | 174.6 | -175.2 | 0 | 0 | 0 | 0 | 111.4 | L109 | S107-L109 PolarHBondContact O-N 3.08Å; S107-L109 PolarHBondContact OG-N 2.88Å; S107-L109 VanDerWaalsContact OG-N 3.14Å |
| 108 | E | 68 | Low | 72.7 | Confident | 83 Ų | 83 | 69.6 Ų | 69.6 | 39% | 0.388 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -67.6 | -13.1 | 167.1 | -65.5 | -155.9 | 138.1 | 0 | 0 | 112.5 | K391 Y393 | E108-K391 IonicContact OE1-NZ 3.54Å; E108-K391 IonicContact OE2-NZ 3.74Å; E108-Y393 HydrophobicContact CB-CE1 4.25Å; E108-Y393 PolarHBondContact OE1-OH 2.89Å |
| 109 | L | 64.7 | Low | 74.7 | Confident | 111 Ų | 111 | 67 Ų | 67 | 58% | 0.581 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -86 | 129.8 | 176.4 | -60.4 | 173.2 | 0 | 0 | 0 | 110.5 | S107 R111 G112 | S107-L109 PolarHBondContact O-N 3.08Å; S107-L109 PolarHBondContact OG-N 2.88Å; S107-L109 VanDerWaalsContact OG-N 3.14Å; L109-R111 PolarHBondContact O-N 3.07Å; L109-G112 PolarHBondContact O-N 3.49Å |
| 110 | L | 60.9 | Low | 76.3 | Confident | 46 Ų | 46 | 67.1 Ų | 67.1 | 24% | 0.241 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -24.1 | 177 | -81.1 | 156.1 | 0 | 0 | 0 | 114.3 | L13 L105 E395 L396 L428 | L13-L110 HydrophobicContact CD2-CD2 4.05Å; L13-L110 HydrophobicContact CD2-CG 4.12Å; L105-L110 HydrophobicContact CD1-CD2 4.41Å; L110-E395 VanDerWaalsContact CD1-O 3.31Å; L110-E395 WeakPolarHBondContact CD1-O 3.31Å; L110-L396 HydrophobicContact CD1-CG 4.32Å; L110-L428 HydrophobicContact CD1-CD1 4.33Å; L110-L428 HydrophobicContact CD2-CD1 3.71Å; L110-L428 HydrophobicContact CD2-CD2 3.46Å; L110-L428 VanDerWaalsContact CD2-CD2 3.46Å; L110-L428 HydrophobicContact CD2-CG 4.23Å |
| 111 | R | 62.1 | Low | 77.3 | Confident | 228 Ų | 228 | 69 Ų | 69 | 86% | 0.86 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | 8.2 | 177.8 | -63.6 | -173.4 | 179.5 | -169.6 | 0.7 | 113.8 | L109 | L109-R111 PolarHBondContact O-N 3.07Š|
| 112 | G | 64.3 | Low | 77.6 | Confident | 24 Ų | 24 | 69.4 Ų | 69.4 | 25% | 0.247 | 36% | 0.362 | C | S | . | . | S | Bend | trans | -74.8 | -178.8 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | L109 A114 | L109-G112 PolarHBondContact O-N 3.49Å; G112-A114 PolarHBondContact O-N 3.38Å |
| 113 | D | 70.6 | Confident | 77.7 | Confident | 131 Ų | 131 | 69.6 Ų | 69.6 | 70% | 0.701 | 36% | 0.362 | S | S | * | . | trans | -57.6 | 135.8 | 177.7 | -61.6 | -35.6 | 0 | 0 | 0 | 110.9 | T106 | T106-D113 PolarHBondContact N-O 2.7Å; T106-D113 VanDerWaalsContact N-O 3.11Å; T106-D113 WeakPolarHBondContact OG1-CB 3.49Å; T106-D113 PolarHBondContact OG1-O 3.08Å | ||
| 114 | A | 78.1 | Confident | 77.9 | Confident | 41 Ų | 41 | 71.8 Ų | 71.8 | 34% | 0.339 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 128.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | K103 I104 L105 G112 | K103-A114 HydrophobicContact CB-CB 4.04Å; K103-A114 HydrophobicContact CD-CB 3.97Å; I104-A114 CarbonylContact O-C 3.56Å; I104-A114 VanDerWaalsContact O-CA 3.25Å; I104-A114 WeakPolarHBondContact O-CA 3.31Å; L105-A114 HydrophobicContact CD2-CB 3.88Å; G112-A114 PolarHBondContact O-N 3.38Å |
| 115 | L | 82.6 | Confident | 78.1 | Confident | 89 Ų | 89 | 71.6 Ų | 71.6 | 47% | 0.466 | 37% | 0.368 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 123.1 | 177.5 | -67.4 | 169.8 | 0 | 0 | 0 | 109.1 | K103 I104 T106 V117 | K103-L115 CarbonylContact C-O 3.56Å; K103-L115 VanDerWaalsContact CA-O 3.29Å; K103-L115 WeakPolarHBondContact CA-O 3.43Å; I104-L115 PolarHBondContact N-O 3.47Å; I104-L115 PolarHBondContact O-N 2.95Å; T106-L115 HydrophobicContact CG2-CD1 4.35Å; L115-V117 PolarHBondContact O-N 3.3Å |
| 116 | P | 81.6 | Confident | 78.6 | Confident | 65 Ų | 65 | 79.1 Ų | 79.1 | 42% | 0.422 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 137.2 | 177.2 | 27.4 | -33.2 | 0 | 0 | 0 | 110.4 | ||
| 117 | V | 84.2 | Confident | 79.6 | Confident | 28 Ų | 28 | 76.3 Ų | 76.3 | 17% | 0.17 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 129.6 | 175.2 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | T57 W102 I104 L115 M119 | T57-V117 HydrophobicContact CG2-CG1 4.19Å; W102-V117 HydrophobicContact CB-CB 4.39Å; W102-V117 WeakPolarHBondContact CB-O 3.26Å; W102-V117 PolarHBondContact O-N 3.18Å; I104-V117 HydrophobicContact CB-CG2 4.29Å; I104-V117 HydrophobicContact CD1-CG2 3.29Å; I104-V117 HydrophobicContact CG1-CG2 3.45Å; I104-V117 VanDerWaalsContact CG1-CG2 3.45Å; L115-V117 PolarHBondContact O-N 3.3Å; V117-M119 HydrophobicContact CG1-CG 3.94Å; V117-M119 PolarHBondContact O-N 3.29Å |
| 118 | N | 82.5 | Confident | 80.6 | Confident | 126 Ų | 126 | 80.5 Ų | 80.5 | 67% | 0.674 | 40% | 0.402 | S | S | * | . | trans | -89.6 | 95.4 | 175.4 | -164.9 | -0.8 | 0 | 0 | 0 | 110.3 | ||||
| 119 | M | 85.2 | Confident | 81.6 | Confident | 21 Ų | 21 | 77.1 Ų | 77.1 | 10% | 0.103 | 39% | 0.39 | C | S | . | . | trans | -107.6 | 121.6 | 168.3 | -70.3 | -173.4 | -72 | 0 | 0 | 109.9 | I15 Y49 L54 T57 W102 V117 | I15-M119 HydrophobicContact CD1-CE 4.47Å; I15-M119 HydrophobicContact CG2-CE 4.38Å; Y49-M119 HydrophobicContact CD1-CB 4.48Å; Y49-M119 HydrophobicContact CE1-CB 4.15Å; L54-M119 HydrophobicContact CD2-CE 3.89Å; L54-M119 HydrophobicContact CD2-SD 4.05Å; T57-M119 HydrophobicContact CG2-CG 4.3Å; T57-M119 HydrophobicContact CG2-SD 3.75Å; W102-M119 HydrophobicContact CB-CE 3.68Å; W102-M119 HydrophobicContact CD2-CE 3.32Å; W102-M119 HydrophobicContact CE3-CE 3.74Å; W102-M119 HydrophobicContact CG-CB 4.37Å; W102-M119 HydrophobicContact CG-CE 3.33Å; W102-M119 HydrophobicContact CZ2-CE 4.45Å; W102-M119 HydrophobicContact CZ3-CE 4.43Å; V117-M119 HydrophobicContact CG1-CG 3.94Å; V117-M119 PolarHBondContact O-N 3.29Å | ||
| 120 | K | 86.6 | Confident | 82.8 | Confident | 166 Ų | 166 | 74.5 Ų | 74.5 | 72% | 0.722 | 38% | 0.376 | S | S | * | . | trans | -84.7 | 136.9 | 176.4 | -66.8 | -176.5 | 178.9 | 179.6 | 0 | 110.3 | ||||
| 121 | P | 89.6 | Confident | 84.3 | Confident | 54 Ų | 54 | 72.4 Ų | 72.4 | 35% | 0.351 | 37% | 0.366 | S | S | . | . | trans | -67.6 | 144.8 | 172.8 | 29.3 | -33.8 | 0 | 0 | 0 | 110.4 | L47 G48 Y49 | L47-P121 HydrophobicContact CB-CB 4.43Å; L47-P121 HydrophobicContact CD2-CB 4.29Å; L47-P121 HydrophobicContact CD2-CG 4.31Å; G48-P121 CarbonylContact O-C 3.54Å; G48-P121 VanDerWaalsContact O-CA 3.29Å; G48-P121 WeakPolarHBondContact O-CA 3.45Å; G48-P121 WeakPolarHBondContact O-CB 3.26Å; Y49-P121 HydrophobicContact CE1-CB 4.11Å; Y49-P121 HydrophobicContact CE2-CB 4.23Å | ||
| 122 | I | 89.4 | Confident | 85.6 | Confident | 57 Ų | 57 | 62.3 Ų | 62.3 | 29% | 0.292 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -68.2 | -41.5 | 172.9 | -58 | 175.7 | 0 | 0 | 0 | 110.2 | F36 G48 C50 V184 | F36-I122 HydrophobicContact CD1-CD1 4.04Å; F36-I122 HydrophobicContact CE1-CD1 4.25Å; G48-I122 PolarHBondContact O-N 2.99Å; C50-I122 HydrophobicContact CB-CD1 3.77Å; C50-I122 HydrophobicContact CB-CG1 4.49Å; C50-I122 VanDerWaalsContact N-CD1 3.26Å; I122-V184 HydrophobicContact CG2-CB 4.17Å; I122-V184 HydrophobicContact CG2-CG1 3.83Å; I122-V184 HydrophobicContact CG2-CG2 3.62Å |
| 123 | F | 90.6 | Very high | 87 | Confident | 5 Ų | 5 | 61.6 Ų | 61.6 | 2% | 0.022 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 154.2 | 178.9 | 60.2 | -103.3 | 0 | 0 | 0 | 110.8 | A38 G48 I125 L166 V180 L183 V184 | A38-F123 HydrophobicContact CB-CZ 4.43Å; G48-F123 PolarHBondContact N-O 3.46Å; F123-I125 HydrophobicContact CD2-CD1 4.04Å; F123-I125 HydrophobicContact CD2-CG1 3.95Å; F123-I125 HydrophobicContact CE2-CD1 3.93Å; F123-I125 HydrophobicContact CE2-CG1 4.33Å; F123-L166 HydrophobicContact CE2-CD2 4.05Å; F123-L166 HydrophobicContact CZ-CD2 4.16Å; F123-V180 HydrophobicContact CE1-CG1 4.43Å; F123-L183 HydrophobicContact CB-CB 4.05Å; F123-L183 HydrophobicContact CD1-CB 3.94Å; F123-L183 HydrophobicContact CD1-CD1 4.43Å; F123-L183 HydrophobicContact CD2-CB 4.43Å; F123-L183 HydrophobicContact CD2-CD1 4.09Å; F123-L183 HydrophobicContact CE1-CB 4.49Å; F123-L183 HydrophobicContact CE1-CD1 4.31Å; F123-L183 HydrophobicContact CE2-CD1 3.96Å; F123-L183 HydrophobicContact CG-CB 3.89Å; F123-L183 HydrophobicContact CG-CD1 4.32Å; F123-L183 HydrophobicContact CZ-CD1 4.07Å; F123-V184 HydrophobicContact CD1-CG2 4.45Å |
| 124 | R | 90.5 | Very high | 88.1 | Confident | 124 Ų | 124 | 56 Ų | 56 | 47% | 0.468 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 111.2 | 176 | 176.4 | 179.9 | -179.7 | 110.4 | -6.2 | 108.6 | I45 V46 L47 H189 | I45-R124 HydrophobicContact CG2-CG 3.86Å; V46-R124 WeakPolarHBondContact O-CA 3.44Å; L47-R124 HydrophobicContact CD2-CB 3.93Å; L47-R124 HydrophobicContact CD2-CG 3.76Å; R124-H189 PolarHBondContact O-CD2 3.28Å; R124-H189 VanDerWaalsContact O-CD2 3.28Å |
| 125 | I | 90.8 | Very high | 88.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 134.8 | -179.5 | -56.1 | 168.7 | 0 | 0 | 0 | 108.5 | I45 V46 F123 T127 L166 Y178 L183 | I45-I125 WeakPolarHBondContact CA-O 3.2Å; V46-I125 HydrophobicContact CB-CB 4.36Å; V46-I125 PolarHBondContact N-O 3.28Å; V46-I125 PolarHBondContact O-N 3.43Å; F123-I125 HydrophobicContact CD2-CD1 4.04Å; F123-I125 HydrophobicContact CD2-CG1 3.95Å; F123-I125 HydrophobicContact CE2-CD1 3.93Å; F123-I125 HydrophobicContact CE2-CG1 4.33Å; I125-T127 HydrophobicContact CG2-CG2 4.13Å; I125-L166 HydrophobicContact CD1-CD2 3.82Å; I125-Y178 HydrophobicContact CD1-CD1 4.36Å; I125-Y178 HydrophobicContact CD1-CD2 4.27Å; I125-Y178 HydrophobicContact CD1-CG 4.16Å; I125-Y178 HydrophobicContact CG2-CD1 4.46Å; I125-Y178 HydrophobicContact CG2-CE1 3.76Å; I125-Y178 HydrophobicContact CG2-CE2 4.07Å; I125-L183 HydrophobicContact CD1-CD1 3.59Å; I125-L183 HydrophobicContact CD1-CD2 3.8Å; I125-L183 HydrophobicContact CD1-CG 4.35Å; I125-L183 HydrophobicContact CG1-CD1 4.33Å; I125-L183 HydrophobicContact CG1-CD2 3.74Å |
| 126 | K | 90.9 | Very high | 89.5 | Confident | 160 Ų | 160 | 51 Ų | 51 | 70% | 0.696 | 26% | 0.258 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 112.3 | 164.9 | -175.9 | 179 | 179.1 | -179.1 | 0 | 108 | Q44 | Q44-K126 WeakPolarHBondContact O-CA 3.4Å |
| 127 | T | 90.5 | Very high | 90.1 | Very high | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.018 | 24% | 0.238 | C | C | . | . | trans | -82.7 | 164 | -179.6 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | Q44 I125 G129 V131 L168 E176 | Q44-T127 VanDerWaalsContact CA-OG1 3.26Å; Q44-T127 WeakPolarHBondContact CA-OG1 3.4Å; Q44-T127 PolarHBondContact O-N 3.37Å; Q44-T127 PolarHBondContact O-OG1 3.12Å; I125-T127 HydrophobicContact CG2-CG2 4.13Å; T127-G129 PolarHBondContact O-N 2.94Å; T127-G129 PolarHBondContact OG1-O 3.3Å; T127-V131 HydrophobicContact CG2-CG2 3.71Å; T127-L168 HydrophobicContact CG2-CD1 3.44Å; T127-L168 VanDerWaalsContact CG2-CD1 3.44Å; T127-E176 WeakPolarHBondContact CB-OE2 3.46Å; T127-E176 WeakPolarHBondContact CG2-OE2 3.49Å | ||
| 128 | N | 88.9 | Confident | 90.4 | Very high | 129 Ų | 129 | 48 Ų | 48 | 69% | 0.69 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -81 | -1.3 | 177.8 | -62.1 | -55.8 | 0 | 0 | 0 | 113.9 | E176 | N128-E176 WeakPolarHBondContact CB-OE1 3.48Å; N128-E176 PolarHBondContact N-OE1 2.9Å; N128-E176 VanDerWaalsContact N-OE1 3.15Å; N128-E176 PolarHBondContact ND2-OE1 3.16Å |
| 129 | G | 88.7 | Confident | 90.7 | Very high | 12 Ų | 12 | 42.3 Ų | 42.3 | 12% | 0.124 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -169.2 | -179.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | T127 V131 | T127-G129 PolarHBondContact O-N 2.94Å; T127-G129 PolarHBondContact OG1-O 3.3Å; G129-V131 PolarHBondContact O-N 2.97Å |
| 130 | D | 90.2 | Very high | 91 | Very high | 56 Ų | 56 | 43.4 Ų | 43.4 | 30% | 0.299 | 22% | 0.216 | S | C | . | . | trans | -75.2 | 126.2 | -171.1 | -68.8 | 11.2 | 0 | 0 | 0 | 111.3 | P43 Q44 L170 E171 | P43-D130 HydrophobicContact CB-CB 4.08Å; P43-D130 CarbonylContact O-C 3.35Å; P43-D130 WeakPolarHBondContact O-CA 3.3Å; Q44-D130 WeakPolarHBondContact CG-OD1 3.2Å; Q44-D130 PolarHBondContact NE2-OD1 3.44Å; D130-L170 CarbonylContact O-C 3.57Å; D130-L170 VanDerWaalsContact O-CA 3.23Å; D130-L170 WeakPolarHBondContact O-CA 3.38Å; D130-E171 HydrophobicContact CB-CB 4.42Å; D130-E171 PolarHBondContact O-N 2.94Å | ||
| 131 | V | 91.9 | Very high | 90.9 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.012 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 120.4 | -176.9 | -175.9 | 0 | 0 | 0 | 0 | 110 | T26 V40 P43 V46 T127 G129 L168 L170 | T26-V131 PolarHBondContact OG1-O 3.25Å; V40-V131 HydrophobicContact CG1-CB 4.3Å; V40-V131 HydrophobicContact CG2-CB 3.9Å; V40-V131 HydrophobicContact CG2-CG1 3.6Å; P43-V131 PolarHBondContact O-N 3.43Å; V46-V131 HydrophobicContact CG2-CG2 4.06Å; T127-V131 HydrophobicContact CG2-CG2 3.71Å; G129-V131 PolarHBondContact O-N 2.97Å; V131-L168 HydrophobicContact CG1-CB 4.29Å; V131-L168 HydrophobicContact CG1-CD2 4.22Å; V131-L168 HydrophobicContact CG2-CB 4.5Å; V131-L168 HydrophobicContact CG2-CD1 4.46Å; V131-L170 HydrophobicContact CB-CD2 4.39Å; V131-L170 HydrophobicContact CG2-CD2 3.73Å |
| 132 | I | 90.7 | Very high | 90.7 | Very high | 16 Ų | 16 | 37.8 Ų | 37.8 | 8% | 0.082 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | -42.6 | 178.7 | -61.9 | 178.4 | 0 | 0 | 0 | 110.8 | G169 E171 L201 F406 | I132-G169 PolarHBondContact N-O 3.2Å; I132-E171 HydrophobicContact CD1-CB 3.7Å; I132-E171 HydrophobicContact CD1-CG 4.03Å; I132-E171 HydrophobicContact CG1-CB 4.32Å; I132-L201 HydrophobicContact CD1-CD1 3.59Å; I132-L201 HydrophobicContact CD1-CD2 3.54Å; I132-L201 HydrophobicContact CD1-CG 3.35Å; I132-L201 HydrophobicContact CG2-CD2 4.46Å; I132-F406 HydrophobicContact CG2-CD1 4.37Å; I132-F406 HydrophobicContact CG2-CD2 4.09Å; I132-F406 HydrophobicContact CG2-CE1 4.46Å; I132-F406 HydrophobicContact CG2-CE2 4.15Å; I132-F406 HydrophobicContact CG2-CG 4.2Å; I132-F406 HydrophobicContact CG2-CZ 4.34Å |
| 133 | S | 91.8 | Very high | 90.6 | Very high | 8 Ų | 8 | 40.9 Ų | 40.9 | 6% | 0.056 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 150.7 | -177.6 | 61.4 | 0 | 0 | 0 | 0 | 111.2 | G169 V202 Y203 | S133-G169 PolarHBondContact N-O 3Å; S133-G169 PolarHBondContact O-N 2.78Å; S133-V202 PolarHBondContact OG-O 3.03Å; S133-Y203 WeakPolarHBondContact CB-O 3.49Å |
| 134 | M | 93.9 | Very high | 90.4 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.069 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 147.2 | 176.9 | 74.7 | -171.4 | -58.5 | 0 | 0 | 110.9 | S27 C28 A38 V40 V46 L166 L167 L168 | S27-M134 VanDerWaalsContact O-SD 3.38Å; S27-M134 WeakPolarHBondContact OG-CG 3.42Å; C28-M134 WeakPolarHBondContact CA-SD 3.29Å; A38-M134 HydrophobicContact CB-CE 3.52Å; A38-M134 WeakPolarHBondContact O-CE 3.48Å; V40-M134 HydrophobicContact CG2-SD 4.35Å; V46-M134 HydrophobicContact CG1-CE 4.03Å; M134-L166 HydrophobicContact CE-CD1 3.95Å; M134-L167 VanDerWaalsContact CA-O 3.3Å; M134-L167 WeakPolarHBondContact CA-O 3.25Å; M134-L168 HydrophobicContact CB-CD2 3.76Å; M134-L168 HydrophobicContact CE-CD2 4.31Å |
| 135 | T | 95 | Very high | 90.1 | Very high | 20 Ų | 20 | 38.3 Ų | 38.3 | 12% | 0.123 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 143.7 | 173.3 | -158.7 | 0 | 0 | 0 | 0 | 110 | L167 L205 A207 | T135-L167 HydrophobicContact CG2-CB 4.04Å; T135-L167 HydrophobicContact CG2-CD1 4.36Å; T135-L167 PolarHBondContact N-O 2.87Å; T135-L167 PolarHBondContact O-N 3.34Å; T135-L205 HydrophobicContact CG2-CB 3.68Å; T135-A207 HydrophobicContact CG2-CB 4.37Å |
| 136 | F | 95.5 | Very high | 89.8 | Confident | 5 Ų | 5 | 40.9 Ų | 40.9 | 2% | 0.022 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 150.5 | 164.7 | -76.6 | -87.1 | 0 | 0 | 0 | 109.5 | S29 F30 F36 A38 L165 L166 V180 A207 | S29-F136 WeakPolarHBondContact O-CE2 3.46Å; F30-F136 WeakPolarHBondContact O-CD2 3.48Å; F36-F136 HydrophobicContact CB-CE1 4.32Å; F36-F136 HydrophobicContact CB-CZ 4.2Å; A38-F136 HydrophobicContact CB-CE2 3.84Å; A38-F136 HydrophobicContact CB-CZ 3.73Å; F136-L165 CarbonylContact C-O 3.59Å; F136-L165 WeakPolarHBondContact CA-O 3.37Å; F136-L165 WeakPolarHBondContact CD1-O 3.38Å; F136-L166 HydrophobicContact CD1-CB 4.17Å; F136-L166 HydrophobicContact CD1-CD1 4.15Å; F136-L166 HydrophobicContact CD2-CD1 4.18Å; F136-L166 HydrophobicContact CE1-CB 3.97Å; F136-L166 HydrophobicContact CE1-CD1 3.93Å; F136-L166 HydrophobicContact CE1-CG 4.38Å; F136-L166 HydrophobicContact CE2-CD1 3.96Å; F136-L166 HydrophobicContact CG-CD1 4.28Å; F136-L166 HydrophobicContact CZ-CD1 3.84Å; F136-V180 HydrophobicContact CD1-CG2 3.99Å; F136-V180 HydrophobicContact CE1-CG2 3.72Å; F136-A207 WeakPolarHBondContact O-CB 3.37Å |
| 137 | A | 94 | Very high | 89.4 | Confident | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.008 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | L165 L167 A207 L213 | A137-L165 HydrophobicContact CB-CB 4.41Å; A137-L165 PolarHBondContact N-O 2.97Å; A137-L165 PolarHBondContact O-N 3.06Å; A137-L167 HydrophobicContact CB-CD1 3.65Å; A137-A207 HydrophobicContact CB-CB 3.58Å; A137-L213 HydrophobicContact CB-CD2 3.94Å |
| 138 | T | 91.9 | Very high | 88.9 | Confident | 29 Ų | 29 | 43 Ų | 43 | 18% | 0.178 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139.5 | 170.6 | 53.9 | 0 | 0 | 0 | 0 | 109.7 | D32 V163 L213 | D32-T138 HydrophobicContact CB-CG2 3.77Å; D32-T138 WeakPolarHBondContact CB-OG1 3.31Å; D32-T138 PolarHBondContact OD2-OG1 3.1Å; T138-V163 CarbonylContact C-O 3.58Å; T138-V163 WeakPolarHBondContact CA-O 3.11Å; T138-L213 VanDerWaalsContact C-CD2 3.49Å |
| 139 | G | 89.1 | Confident | 88.4 | Confident | 7 Ų | 7 | 42.1 Ų | 42.1 | 7% | 0.072 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.5 | -171.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q162 V163 G211 L213 | G139-Q162 CarbonylContact O-C 3.51Å; G139-Q162 VanDerWaalsContact O-CA 3.27Å; G139-Q162 WeakPolarHBondContact O-CA 3.16Å; G139-V163 PolarHBondContact N-O 2.95Å; G139-V163 PolarHBondContact O-N 3.28Å; G139-G211 WeakPolarHBondContact CA-O 3.01Å; G139-L213 VanDerWaalsContact CA-CD2 3.41Å; G139-L213 VanDerWaalsContact CA-CG 3.41Å |
| 140 | D | 89.6 | Confident | 87.5 | Confident | 43 Ų | 43 | 41.6 Ų | 41.6 | 23% | 0.23 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 127.1 | 164.5 | 177 | -4 | 0 | 0 | 0 | 108.5 | A142 F143 S161 G211 | D140-A142 PolarHBondContact O-N 3.42Å; D140-A142 VanDerWaalsContact O-N 3.08Å; D140-A142 WeakPolarHBondContact OD1-CB 3.37Å; D140-A142 PolarHBondContact OD1-N 3.37Å; D140-F143 HydrophobicContact CB-CD2 3.97Å; D140-F143 PolarHBondContact O-N 3.07Å; D140-S161 WeakPolarHBondContact CA-O 3.21Å; D140-G211 PolarHBondContact N-O 2.96Å |
| 141 | S | 84.8 | Confident | 86.7 | Confident | 27 Ų | 27 | 44.8 Ų | 44.8 | 19% | 0.189 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -56.3 | -23.4 | -179.4 | 65.5 | 0 | 0 | 0 | 0 | 113.6 | F143 C144 S161 W230 | S141-F143 VanDerWaalsContact C-N 3.27Å; S141-F143 PolarHBondContact O-N 3.39Å; S141-C144 WeakPolarHBondContact O-CB 3.34Å; S141-C144 PolarHBondContact O-N 3.3Å; S141-S161 PolarHBondContact N-O 3.31Å; S141-S161 PolarHBondContact OG-O 2.91Å; S141-W230 VanDerWaalsContact CA-CZ2 3.45Å; S141-W230 VanDerWaalsContact N-CZ2 3.27Å |
| 142 | A | 86.7 | Confident | 85.8 | Confident | 75 Ų | 75 | 52.1 Ų | 52.1 | 62% | 0.62 | 27% | 0.269 | S | S | * | . | G | 310 helix | trans | -66.2 | -27.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | D140 | D140-A142 PolarHBondContact O-N 3.42Å; D140-A142 VanDerWaalsContact O-N 3.08Å; D140-A142 WeakPolarHBondContact OD1-CB 3.37Å; D140-A142 PolarHBondContact OD1-N 3.37Å |
| 143 | F | 86.8 | Confident | 84.7 | Confident | 122 Ų | 122 | 56.6 Ų | 56.6 | 54% | 0.535 | 29% | 0.285 | S | S | . | . | G | 310 helix | trans | -100 | 19 | -179.8 | -62.1 | -82.1 | 0 | 0 | 0 | 112.6 | D140 S141 R145 D210 S212 | D140-F143 HydrophobicContact CB-CD2 3.97Å; D140-F143 PolarHBondContact O-N 3.07Å; S141-F143 VanDerWaalsContact C-N 3.27Å; S141-F143 PolarHBondContact O-N 3.39Å; F143-R145 PolarHBondContact O-N 2.84Å; F143-D210 WeakPolarHBondContact CG-O 3.36Å; F143-S212 WeakPolarHBondContact O-CA 3.19Å; F143-S212 WeakPolarHBondContact O-CB 3.17Å |
| 144 | C | 86 | Confident | 83.4 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.074 | 30% | 0.298 | C | S | . | . | trans | -60.4 | 129.5 | 175.3 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | S141 L146 P147 W230 | S141-C144 WeakPolarHBondContact O-CB 3.34Å; S141-C144 PolarHBondContact O-N 3.3Å; C144-L146 VanDerWaalsContact C-N 3.33Å; C144-L146 PolarHBondContact O-N 2.95Å; C144-P147 HydrophobicContact CB-CG 4.45Å; C144-P147 WeakPolarHBondContact O-CD 2.97Å; C144-P147 WeakPolarHBondContact O-CG 3.25Å; C144-W230 HydrophobicContact CB-CB 4.49Å; C144-W230 HydrophobicContact CB-CD2 4.49Å; C144-W230 HydrophobicContact CB-CG 4.17Å; C144-W230 VanDerWaalsContact SG-CB 3.55Å | ||
| 145 | R | 84.4 | Confident | 81.9 | Confident | 65 Ų | 65 | 61 Ų | 61 | 25% | 0.245 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -61.7 | -38.5 | 177.9 | -178.5 | -177.2 | 169.9 | -109.8 | -0.9 | 112.8 | F143 D228 E285 | F143-R145 PolarHBondContact O-N 2.84Å; R145-D228 IonicContact NH1-OD2 2.9Å; R145-E285 VanDerWaalsContact CD-OE1 3.26Å; R145-E285 WeakPolarHBondContact CD-OE1 3.35Å; R145-E285 IonicContact CZ-OE1 3.6Å; R145-E285 IonicContact CZ-OE2 3.23Å; R145-E285 VanDerWaalsContact CZ-OE2 3.26Å; R145-E285 VanDerWaalsContact NE-CD 3.25Å; R145-E285 IonicContact NE-OE1 3.73Å; R145-E285 PolarHBondContact NE-OE1 3.43Å; R145-E285 IonicContact NE-OE2 3.42Å; R145-E285 PolarHBondContact NE-OE2 2.63Å; R145-E285 IonicContact NH2-OE1 2.95Å; R145-E285 IonicContact NH2-OE2 3.02Å; R145-E285 PolarHBondContact NH2-OE2 3.36Å |
| 146 | L | 84.8 | Confident | 80.2 | Confident | 54 Ų | 54 | 63.8 Ų | 63.8 | 28% | 0.283 | 32% | 0.323 | S | S | . | . | trans | -126.9 | 73.3 | -178.4 | -62.8 | 175.6 | 0 | 0 | 0 | 111.9 | C144 H148 R149 A150 | C144-L146 VanDerWaalsContact C-N 3.33Å; C144-L146 PolarHBondContact O-N 2.95Å; L146-H148 VanDerWaalsContact C-N 3.28Å; L146-H148 PolarHBondContact O-N 3.43Å; L146-R149 HydrophobicContact CB-CB 4.04Å; L146-R149 HydrophobicContact CB-CG 4.23Å; L146-R149 HydrophobicContact CD1-CG 4.47Å; L146-R149 PolarHBondContact O-N 2.99Å; L146-A150 PolarHBondContact O-N 3.18Å | ||
| 147 | P | 82 | Confident | 78.6 | Confident | 74 Ų | 74 | 64 Ų | 64 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -57.3 | -37.9 | -174.7 | -25.4 | 34.5 | 0 | 0 | 0 | 113.9 | C144 R149 A150 N151 | C144-P147 HydrophobicContact CB-CG 4.45Å; C144-P147 WeakPolarHBondContact O-CD 2.97Å; C144-P147 WeakPolarHBondContact O-CG 3.25Å; P147-R149 VanDerWaalsContact C-N 3.29Å; P147-R149 PolarHBondContact O-N 2.71Å; P147-A150 PolarHBondContact O-N 3.34Å; P147-N151 PolarHBondContact O-N 2.98Å |
| 148 | H | 79.9 | Confident | 77.3 | Confident | 134 Ų | 134 | 64 Ų | 64 | 62% | 0.62 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -64.8 | -31.3 | 177.5 | 172.7 | -95.1 | 0 | 0 | 0 | 112.8 | L146 K152 | L146-H148 VanDerWaalsContact C-N 3.28Å; L146-H148 PolarHBondContact O-N 3.43Å; H148-K152 PolarHBondContact CE1-NZ 3.01Å |
| 149 | R | 78 | Confident | 76.2 | Confident | 109 Ų | 109 | 71.5 Ų | 71.5 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -79.1 | -39.8 | 173.7 | -69.1 | -163.7 | -178.2 | -160.2 | -4.4 | 111.5 | L146 P147 N151 K152 R153 D231 | L146-R149 HydrophobicContact CB-CB 4.04Å; L146-R149 HydrophobicContact CB-CG 4.23Å; L146-R149 HydrophobicContact CD1-CG 4.47Å; L146-R149 PolarHBondContact O-N 2.99Å; P147-R149 VanDerWaalsContact C-N 3.29Å; P147-R149 PolarHBondContact O-N 2.71Å; R149-N151 VanDerWaalsContact C-N 3.26Å; R149-N151 PolarHBondContact O-N 2.95Å; R149-K152 WeakPolarHBondContact O-CA 3.36Å; R149-K152 PolarHBondContact O-N 3.47Å; R149-R153 WeakPolarHBondContact O-CB 3.47Å; R149-R153 PolarHBondContact O-N 3.44Å; R149-D231 IonicContact NH1-OD2 2.95Å |
| 150 | A | 71.2 | Confident | 75.6 | Confident | 1 Ų | 1 | 75.8 Ų | 75.8 | 1% | 0.008 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -54.5 | -42.1 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L146 P147 K152 R153 R154 | L146-A150 PolarHBondContact O-N 3.18Å; P147-A150 PolarHBondContact O-N 3.34Å; A150-K152 PolarHBondContact O-N 2.89Å; A150-K152 VanDerWaalsContact O-N 3.16Å; A150-R153 CarbonylContact O-C 3.6Å; A150-R153 PolarHBondContact O-N 3.13Å; A150-R154 HydrophobicContact CB-CG 4.31Å; A150-R154 WeakPolarHBondContact O-CA 3.05Å; A150-R154 WeakPolarHBondContact O-CB 3.48Å; A150-R154 VanDerWaalsContact O-CD 3.31Å; A150-R154 WeakPolarHBondContact O-CD 3.48Å; A150-R154 WeakPolarHBondContact O-CG 3.42Å; A150-R154 PolarHBondContact O-N 2.77Å |
| 151 | N | 73.2 | Confident | 75.2 | Confident | 123 Ų | 123 | 77.5 Ų | 77.5 | 66% | 0.658 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -61.8 | -27.1 | 177.5 | -69.7 | -10.9 | 0 | 0 | 0 | 113.9 | P147 R149 | P147-N151 PolarHBondContact O-N 2.98Å; R149-N151 VanDerWaalsContact C-N 3.26Å; R149-N151 PolarHBondContact O-N 2.95Å |
| 152 | K | 71.7 | Confident | 75.2 | Confident | 157 Ų | 157 | 82.7 Ų | 82.7 | 68% | 0.683 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -92 | -28.6 | 179.3 | -59.8 | -174.7 | -174.5 | -174.6 | 0 | 113.2 | H148 R149 A150 | H148-K152 PolarHBondContact CE1-NZ 3.01Å; R149-K152 WeakPolarHBondContact O-CA 3.36Å; R149-K152 PolarHBondContact O-N 3.47Å; A150-K152 PolarHBondContact O-N 2.89Å; A150-K152 VanDerWaalsContact O-N 3.16Å |
| 153 | R | 68.1 | Low | 75.3 | Confident | 109 Ų | 109 | 79.3 Ų | 79.3 | 41% | 0.411 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -122.1 | 19.2 | -169.3 | -74.3 | -175 | 174 | -166.8 | -9.2 | 113.1 | R149 A150 S155 D231 D232 | R149-R153 WeakPolarHBondContact O-CB 3.47Å; R149-R153 PolarHBondContact O-N 3.44Å; A150-R153 CarbonylContact O-C 3.6Å; A150-R153 PolarHBondContact O-N 3.13Å; R153-S155 PolarHBondContact O-N 2.81Å; R153-D231 WeakPolarHBondContact CD-OD1 3.33Å; R153-D231 IonicContact CZ-OD1 3.52Å; R153-D231 IonicContact NE-OD1 2.95Å; R153-D231 IonicContact NH1-OD1 2.71Å; R153-D231 PolarHBondContact NH1-OD1 3.23Å; R153-D231 IonicContact NH1-OD2 3.26Å; R153-D232 WeakPolarHBondContact CB-OD2 3.46Å; R153-D232 VanDerWaalsContact O-OD2 3.13Å |
| 154 | R | 64.6 | Low | 75.5 | Confident | 91 Ų | 91 | 74.9 Ų | 74.9 | 34% | 0.343 | 36% | 0.36 | S | S | . | . | trans | -71.4 | 99.5 | 173.7 | -93.8 | 161.6 | -165.9 | -151.6 | 7.7 | 108.2 | A150 | A150-R154 HydrophobicContact CB-CG 4.31Å; A150-R154 WeakPolarHBondContact O-CA 3.05Å; A150-R154 WeakPolarHBondContact O-CB 3.48Å; A150-R154 VanDerWaalsContact O-CD 3.31Å; A150-R154 WeakPolarHBondContact O-CD 3.48Å; A150-R154 WeakPolarHBondContact O-CG 3.42Å; A150-R154 PolarHBondContact O-N 2.77Å | ||
| 155 | S | 62.4 | Low | 75.8 | Confident | 24 Ų | 24 | 74.4 Ų | 74.4 | 17% | 0.168 | 36% | 0.357 | C | S | . | . | trans | -55.4 | 166 | 167.3 | 74.2 | 0 | 0 | 0 | 0 | 111.6 | R153 I157 V158 Y193 D232 | R153-S155 PolarHBondContact O-N 2.81Å; S155-I157 PolarHBondContact O-N 3.34Å; S155-I157 WeakPolarHBondContact OG-CB 3.48Å; S155-I157 PolarHBondContact OG-N 2.86Å; S155-V158 PolarHBondContact O-N 3.38Å; S155-Y193 VanDerWaalsContact CB-OH 3.27Å; S155-Y193 WeakPolarHBondContact CB-OH 3Å; S155-Y193 PolarHBondContact OG-OH 3.41Å; S155-D232 WeakPolarHBondContact CB-OD1 3.21Å; S155-D232 PolarHBondContact N-OD1 2.9Å | ||
| 156 | S | 60.6 | Low | 76.2 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 55% | 0.552 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -16.6 | 174.1 | 58.6 | 0 | 0 | 0 | 0 | 114.2 | ||
| 157 | I | 61.1 | Low | 76.7 | Confident | 8 Ų | 8 | 68.7 Ų | 68.7 | 4% | 0.041 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -34.6 | -169.3 | -53.2 | 160.9 | 0 | 0 | 0 | 110.6 | S155 L165 N179 K192 Y193 | S155-I157 PolarHBondContact O-N 3.34Å; S155-I157 WeakPolarHBondContact OG-CB 3.48Å; S155-I157 PolarHBondContact OG-N 2.86Å; I157-L165 HydrophobicContact CG2-CD2 4.01Å; I157-N179 HydrophobicContact CG2-CB 4.29Å; I157-N179 PolarHBondContact O-ND2 3Å; I157-K192 HydrophobicContact CB-CB 4.4Å; I157-K192 HydrophobicContact CB-CD 4.24Å; I157-K192 HydrophobicContact CD1-CB 3.51Å; I157-K192 HydrophobicContact CD1-CG 4.16Å; I157-K192 WeakPolarHBondContact CD1-O 3.35Å; I157-K192 HydrophobicContact CG1-CB 3.58Å; I157-K192 HydrophobicContact CG1-CD 3.8Å; I157-K192 HydrophobicContact CG1-CG 3.75Å; I157-K192 HydrophobicContact CG2-CB 4Å; I157-K192 HydrophobicContact CG2-CD 3.95Å; I157-K192 HydrophobicContact CG2-CG 4.48Å; I157-Y193 HydrophobicContact CB-CE2 3.98Å; I157-Y193 HydrophobicContact CD1-CD1 3.65Å; I157-Y193 HydrophobicContact CD1-CD2 3.52Å; I157-Y193 HydrophobicContact CD1-CE1 3.55Å; I157-Y193 HydrophobicContact CD1-CE2 3.43Å; I157-Y193 VanDerWaalsContact CD1-CE2 3.43Å; I157-Y193 HydrophobicContact CD1-CG 3.65Å; I157-Y193 VanDerWaalsContact CD1-CZ 3.48Å; I157-Y193 HydrophobicContact CG1-CE2 4.3Å; I157-Y193 HydrophobicContact CG2-CD2 4.23Å; I157-Y193 HydrophobicContact CG2-CE2 3.92Å |
| 158 | V | 67.4 | Low | 77.3 | Confident | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -116.7 | 31.2 | -172.5 | -137.2 | 0 | 0 | 0 | 0 | 111.6 | S155 E160 V163 Y193 L213 W230 | S155-V158 PolarHBondContact O-N 3.38Å; V158-E160 VanDerWaalsContact C-N 3.33Å; V158-V163 HydrophobicContact CG1-CB 4.15Å; V158-V163 HydrophobicContact CG1-CG1 4.31Å; V158-V163 HydrophobicContact CG1-CG2 3.65Å; V158-Y193 HydrophobicContact CG2-CE2 4.07Å; V158-L213 HydrophobicContact CG1-CD1 3.77Å; V158-W230 HydrophobicContact CB-CE3 3.9Å; V158-W230 HydrophobicContact CB-CH2 4.32Å; V158-W230 HydrophobicContact CB-CZ3 3.66Å; V158-W230 HydrophobicContact CG1-CD2 3.96Å; V158-W230 HydrophobicContact CG1-CE3 3.37Å; V158-W230 HydrophobicContact CG1-CH2 3.27Å; V158-W230 HydrophobicContact CG1-CZ2 3.86Å; V158-W230 HydrophobicContact CG1-CZ3 3.03Å; V158-W230 WeakPolarHBondContact O-CZ3 3.48Å |
| 159 | R | 67.8 | Low | 78 | Confident | 187 Ų | 187 | 58.8 Ų | 58.8 | 71% | 0.706 | 28% | 0.279 | S | S | * | . | trans | -69.5 | -31.7 | 179 | -74.4 | -173.8 | 175 | -177.6 | 2 | 113.1 | ||||
| 160 | E | 77.3 | Confident | 78.7 | Confident | 98 Ų | 98 | 53.7 Ų | 53.7 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | S | Bend | trans | -73.9 | 153.7 | -178.9 | -65.4 | 175.2 | -176.9 | 0 | 0 | 111.2 | V158 Q162 V163 | V158-E160 VanDerWaalsContact C-N 3.33Å; E160-Q162 VanDerWaalsContact C-N 3.31Å; E160-Q162 WeakPolarHBondContact CB-O 3.28Å; E160-V163 HydrophobicContact CB-CG2 4.12Å |
| 161 | S | 80.7 | Confident | 79.6 | Confident | 79 Ų | 79 | 58.7 Ų | 58.7 | 55% | 0.552 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -65.8 | -37.3 | 176.8 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | D140 S141 | D140-S161 WeakPolarHBondContact CA-O 3.21Å; S141-S161 PolarHBondContact N-O 3.31Å; S141-S161 PolarHBondContact OG-O 2.91Å |
| 162 | Q | 85.7 | Confident | 80.4 | Confident | 136 Ų | 136 | 55.6 Ų | 55.6 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118 | 132.4 | 173.8 | -68.9 | -176.5 | -14.9 | 0 | 0 | 109.7 | G139 E160 | G139-Q162 CarbonylContact O-C 3.51Å; G139-Q162 VanDerWaalsContact O-CA 3.27Å; G139-Q162 WeakPolarHBondContact O-CA 3.16Å; E160-Q162 VanDerWaalsContact C-N 3.31Å; E160-Q162 WeakPolarHBondContact CB-O 3.28Å |
| 163 | V | 88.1 | Confident | 81.2 | Confident | 3 Ų | 3 | 48.3 Ų | 48.3 | 2% | 0.018 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 138.3 | -175.9 | -174 | 0 | 0 | 0 | 0 | 109.9 | T138 G139 V158 E160 L165 W230 | T138-V163 CarbonylContact C-O 3.58Å; T138-V163 WeakPolarHBondContact CA-O 3.11Å; G139-V163 PolarHBondContact N-O 2.95Å; G139-V163 PolarHBondContact O-N 3.28Å; V158-V163 HydrophobicContact CG1-CB 4.15Å; V158-V163 HydrophobicContact CG1-CG1 4.31Å; V158-V163 HydrophobicContact CG1-CG2 3.65Å; E160-V163 HydrophobicContact CB-CG2 4.12Å; V163-L165 HydrophobicContact CG1-CD1 4.48Å; V163-L165 HydrophobicContact CG1-CD2 3.5Å; V163-L165 VanDerWaalsContact CG1-CD2 3.5Å; V163-L165 HydrophobicContact CG1-CG 3.81Å; V163-W230 HydrophobicContact CG2-CH2 4.29Å |
| 164 | S | 90.2 | Very high | 82.4 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 21% | 0.21 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 121.2 | 169.7 | -64.1 | 0 | 0 | 0 | 0 | 109 | V180 | S164-V180 WeakPolarHBondContact O-CG2 3.47Å; S164-V180 PolarHBondContact O-N 2.96Å |
| 165 | L | 92.4 | Very high | 83.8 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 149.2 | -178.4 | -57.1 | 178.6 | 0 | 0 | 0 | 110.3 | F136 A137 I157 V163 L167 V177 Y178 N179 L213 L229 | F136-L165 CarbonylContact C-O 3.59Å; F136-L165 WeakPolarHBondContact CA-O 3.37Å; F136-L165 WeakPolarHBondContact CD1-O 3.38Å; A137-L165 HydrophobicContact CB-CB 4.41Å; A137-L165 PolarHBondContact N-O 2.97Å; A137-L165 PolarHBondContact O-N 3.06Å; I157-L165 HydrophobicContact CG2-CD2 4.01Å; V163-L165 HydrophobicContact CG1-CD1 4.48Å; V163-L165 HydrophobicContact CG1-CD2 3.5Å; V163-L165 VanDerWaalsContact CG1-CD2 3.5Å; V163-L165 HydrophobicContact CG1-CG 3.81Å; L165-L167 HydrophobicContact CB-CD1 4.12Å; L165-V177 HydrophobicContact CB-CG1 4.14Å; L165-V177 HydrophobicContact CD1-CG1 4Å; L165-V177 HydrophobicContact CD2-CG1 4.43Å; L165-V177 HydrophobicContact CG-CG1 4.42Å; L165-Y178 CarbonylContact C-O 3.55Å; L165-Y178 VanDerWaalsContact CA-O 3.25Å; L165-Y178 WeakPolarHBondContact CA-O 3.43Å; L165-N179 HydrophobicContact CD2-CB 3.97Å; L165-L213 HydrophobicContact CD1-CD1 4.18Å; L165-L213 HydrophobicContact CD1-CD2 4.22Å; L165-L229 HydrophobicContact CD1-CB 4.46Å; L165-L229 HydrophobicContact CD1-CD1 3.63Å |
| 166 | L | 94.3 | Very high | 85.3 | Confident | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 122.8 | 169 | 174.3 | 62.2 | 0 | 0 | 0 | 108 | V46 F123 I125 M134 F136 L168 Y178 V180 L183 | V46-L166 HydrophobicContact CG1-CD2 4.42Å; F123-L166 HydrophobicContact CE2-CD2 4.05Å; F123-L166 HydrophobicContact CZ-CD2 4.16Å; I125-L166 HydrophobicContact CD1-CD2 3.82Å; M134-L166 HydrophobicContact CE-CD1 3.95Å; F136-L166 HydrophobicContact CD1-CB 4.17Å; F136-L166 HydrophobicContact CD1-CD1 4.15Å; F136-L166 HydrophobicContact CD2-CD1 4.18Å; F136-L166 HydrophobicContact CE1-CB 3.97Å; F136-L166 HydrophobicContact CE1-CD1 3.93Å; F136-L166 HydrophobicContact CE1-CG 4.38Å; F136-L166 HydrophobicContact CE2-CD1 3.96Å; F136-L166 HydrophobicContact CG-CD1 4.28Å; F136-L166 HydrophobicContact CZ-CD1 3.84Å; L166-L168 HydrophobicContact CD1-CD2 4.15Å; L166-L168 HydrophobicContact CD2-CD2 4.38Å; L166-L168 HydrophobicContact CG-CD2 4.1Å; L166-L168 HydrophobicContact CG-CG 4.45Å; L166-Y178 PolarHBondContact N-O 2.84Å; L166-Y178 PolarHBondContact O-N 3.23Å; L166-V180 HydrophobicContact CB-CG2 4.14Å; L166-L183 HydrophobicContact CD2-CD1 4.37Å |
| 167 | L | 95.1 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133 | 179.1 | -66.2 | 88.1 | 0 | 0 | 0 | 109.9 | M134 T135 A137 L165 I175 E176 V177 L205 V215 L229 | M134-L167 VanDerWaalsContact CA-O 3.3Å; M134-L167 WeakPolarHBondContact CA-O 3.25Å; T135-L167 HydrophobicContact CG2-CB 4.04Å; T135-L167 HydrophobicContact CG2-CD1 4.36Å; T135-L167 PolarHBondContact N-O 2.87Å; T135-L167 PolarHBondContact O-N 3.34Å; A137-L167 HydrophobicContact CB-CD1 3.65Å; L165-L167 HydrophobicContact CB-CD1 4.12Å; L167-I175 HydrophobicContact CB-CG2 4.3Å; L167-I175 HydrophobicContact CD2-CG2 4.23Å; L167-E176 WeakPolarHBondContact CA-O 3.38Å; L167-V177 HydrophobicContact CD2-CG2 3.99Å; L167-V177 HydrophobicContact CG-CB 4.49Å; L167-V177 HydrophobicContact CG-CG1 4.14Å; L167-V177 HydrophobicContact CG-CG2 3.97Å; L167-L205 HydrophobicContact CB-CD1 4.17Å; L167-V215 HydrophobicContact CD2-CB 4.3Å; L167-V215 HydrophobicContact CD2-CG1 3.92Å; L167-V215 HydrophobicContact CD2-CG2 3.74Å; L167-L229 HydrophobicContact CD1-CD1 4.37Å; L167-L229 HydrophobicContact CD2-CD1 4.17Å |
| 168 | L | 94.9 | Very high | 88.3 | Confident | 0 Ų | 0 | 35.2 Ų | 35.2 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 117.5 | -179.7 | -55.4 | -180 | 0 | 0 | 0 | 108.9 | V46 T127 V131 M134 L166 I175 E176 Y178 | V46-L168 HydrophobicContact CB-CD1 4.45Å; V46-L168 HydrophobicContact CG1-CD2 4.49Å; V46-L168 HydrophobicContact CG2-CD1 3.77Å; V46-L168 HydrophobicContact CG2-CD2 4.08Å; T127-L168 HydrophobicContact CG2-CD1 3.44Å; T127-L168 VanDerWaalsContact CG2-CD1 3.44Å; V131-L168 HydrophobicContact CG1-CB 4.29Å; V131-L168 HydrophobicContact CG1-CD2 4.22Å; V131-L168 HydrophobicContact CG2-CB 4.5Å; V131-L168 HydrophobicContact CG2-CD1 4.46Å; M134-L168 HydrophobicContact CB-CD2 3.76Å; M134-L168 HydrophobicContact CE-CD2 4.31Å; L166-L168 HydrophobicContact CD1-CD2 4.15Å; L166-L168 HydrophobicContact CD2-CD2 4.38Å; L166-L168 HydrophobicContact CG-CD2 4.1Å; L166-L168 HydrophobicContact CG-CG 4.45Å; L168-I175 CarbonylContact O-C 3.51Å; L168-I175 VanDerWaalsContact O-CA 3.3Å; L168-I175 WeakPolarHBondContact O-CA 3.5Å; L168-E176 PolarHBondContact N-O 3.3Å; L168-E176 PolarHBondContact O-N 2.88Å; L168-Y178 HydrophobicContact CD1-CD2 4.15Å; L168-Y178 HydrophobicContact CD1-CE2 3.76Å; L168-Y178 HydrophobicContact CG-CD2 4.47Å; L168-Y178 HydrophobicContact CG-CE2 4.37Å |
| 169 | G | 93.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 119.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | I132 S133 L205 | I132-G169 PolarHBondContact N-O 3.2Å; S133-G169 PolarHBondContact N-O 3Å; S133-G169 PolarHBondContact O-N 2.78Å; G169-L205 VanDerWaalsContact N-CD1 3.27Å |
| 170 | L | 92 | Very high | 90.3 | Very high | 2 Ų | 2 | 26.9 Ų | 26.9 | 1% | 0.01 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 161.3 | -174.7 | -53.8 | -173.5 | 0 | 0 | 0 | 112.5 | D130 V131 S172 G173 V174 E176 V202 | D130-L170 CarbonylContact O-C 3.57Å; D130-L170 VanDerWaalsContact O-CA 3.23Å; D130-L170 WeakPolarHBondContact O-CA 3.38Å; V131-L170 HydrophobicContact CB-CD2 4.39Å; V131-L170 HydrophobicContact CG2-CD2 3.73Å; L170-S172 PolarHBondContact O-N 3.37Å; L170-G173 PolarHBondContact O-N 2.78Å; L170-G173 VanDerWaalsContact O-N 3.09Å; L170-V174 WeakPolarHBondContact CB-O 3.25Å; L170-V174 HydrophobicContact CD1-CB 4.25Å; L170-V174 HydrophobicContact CD1-CG1 4.46Å; L170-V174 WeakPolarHBondContact CG-O 3.44Å; L170-V174 PolarHBondContact N-O 3.08Å; L170-E176 HydrophobicContact CD1-CG 4.06Å; L170-V202 PolarHBondContact O-N 3.35Å |
| 171 | E | 89.6 | Confident | 90.6 | Very high | 106 Ų | 106 | 28.5 Ų | 28.5 | 50% | 0.495 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -33.4 | 172.7 | -172.1 | 169.1 | -171.4 | 0 | 0 | 113.1 | D130 I132 G173 L201 | D130-E171 HydrophobicContact CB-CB 4.42Å; D130-E171 PolarHBondContact O-N 2.94Å; I132-E171 HydrophobicContact CD1-CB 3.7Å; I132-E171 HydrophobicContact CD1-CG 4.03Å; I132-E171 HydrophobicContact CG1-CB 4.32Å; E171-G173 PolarHBondContact O-N 2.96Å; E171-G173 VanDerWaalsContact O-N 3.13Å; E171-L201 HydrophobicContact CG-CD1 3.99Å; E171-L201 HydrophobicContact CG-CG 4.34Å; E171-L201 WeakPolarHBondContact O-CA 3.48Å |
| 172 | S | 90.2 | Very high | 90.7 | Very high | 58 Ų | 58 | 26 Ų | 26 | 41% | 0.406 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | -11.8 | 176.4 | 58 | 0 | 0 | 0 | 0 | 113.9 | L170 V174 C199 | L170-S172 PolarHBondContact O-N 3.37Å; S172-V174 VanDerWaalsContact C-N 3.33Å; S172-V174 WeakPolarHBondContact OG-CG2 3.43Å; S172-C199 CarbonylContact O-C 3.52Å; S172-C199 VanDerWaalsContact O-CA 3.24Å; S172-C199 WeakPolarHBondContact O-CA 3.33Å |
| 173 | G | 89.6 | Confident | 90.7 | Very high | 4 Ų | 4 | 19.8 Ų | 19.8 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | S | Bend | trans | 89.6 | -2.5 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | L170 E171 T200 | L170-G173 PolarHBondContact O-N 2.78Å; L170-G173 VanDerWaalsContact O-N 3.09Å; E171-G173 PolarHBondContact O-N 2.96Å; E171-G173 VanDerWaalsContact O-N 3.13Å; G173-T200 WeakPolarHBondContact CA-O 3.26Å |
| 174 | V | 92.6 | Very high | 90.5 | Very high | 31 Ų | 31 | 23.1 Ų | 23.1 | 19% | 0.188 | 13% | 0.127 | C | C | . | . | trans | -77.4 | 140.1 | 175.3 | 178.8 | 0 | 0 | 0 | 0 | 110.3 | L170 S172 E176 V194 T196 | L170-V174 WeakPolarHBondContact CB-O 3.25Å; L170-V174 HydrophobicContact CD1-CB 4.25Å; L170-V174 HydrophobicContact CD1-CG1 4.46Å; L170-V174 WeakPolarHBondContact CG-O 3.44Å; L170-V174 PolarHBondContact N-O 3.08Å; S172-V174 VanDerWaalsContact C-N 3.33Å; S172-V174 WeakPolarHBondContact OG-CG2 3.43Å; V174-E176 HydrophobicContact CG1-CG 4.37Å; V174-V194 HydrophobicContact CG1-CG1 3.25Å; V174-T196 HydrophobicContact CB-CG2 4.17Å; V174-T196 HydrophobicContact CG1-CG2 3.88Å; V174-T196 HydrophobicContact CG2-CG2 3.76Å | ||
| 175 | I | 94.4 | Very high | 90 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 112.2 | 171.5 | -54.3 | 161.8 | 0 | 0 | 0 | 108.8 | L167 L168 V177 V194 L195 V202 L205 W227 | L167-I175 HydrophobicContact CB-CG2 4.3Å; L167-I175 HydrophobicContact CD2-CG2 4.23Å; L168-I175 CarbonylContact O-C 3.51Å; L168-I175 VanDerWaalsContact O-CA 3.3Å; L168-I175 WeakPolarHBondContact O-CA 3.5Å; I175-V177 HydrophobicContact CG2-CG2 4.44Å; I175-V194 WeakPolarHBondContact O-CA 3.12Å; I175-L195 HydrophobicContact CB-CB 4.04Å; I175-L195 HydrophobicContact CB-CD1 4.24Å; I175-L195 HydrophobicContact CB-CG 4.28Å; I175-L195 HydrophobicContact CD1-CB 4.47Å; I175-L195 HydrophobicContact CD1-CD1 4.39Å; I175-L195 HydrophobicContact CG2-CD1 4.17Å; I175-L195 PolarHBondContact N-O 2.83Å; I175-L195 PolarHBondContact O-N 3.06Å; I175-V202 HydrophobicContact CD1-CG2 4.4Å; I175-V202 HydrophobicContact CG1-CG1 4.46Å; I175-V202 HydrophobicContact CG1-CG2 4.09Å; I175-L205 HydrophobicContact CD1-CD2 3.74Å; I175-L205 HydrophobicContact CG1-CD2 4.11Å; I175-L205 HydrophobicContact CG2-CD1 4.08Å; I175-L205 HydrophobicContact CG2-CD2 4.24Å; I175-W227 HydrophobicContact CD1-CZ2 4.33Å |
| 176 | E | 93.5 | Very high | 88.9 | Confident | 1 Ų | 1 | 27.8 Ų | 27.8 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 130.3 | 175.1 | -65.7 | -176.6 | 169.3 | 0 | 0 | 110.2 | T127 N128 L167 L168 L170 V174 Y178 P191 | T127-E176 WeakPolarHBondContact CB-OE2 3.46Å; T127-E176 WeakPolarHBondContact CG2-OE2 3.49Å; N128-E176 WeakPolarHBondContact CB-OE1 3.48Å; N128-E176 PolarHBondContact N-OE1 2.9Å; N128-E176 VanDerWaalsContact N-OE1 3.15Å; N128-E176 PolarHBondContact ND2-OE1 3.16Å; L167-E176 WeakPolarHBondContact CA-O 3.38Å; L168-E176 PolarHBondContact N-O 3.3Å; L168-E176 PolarHBondContact O-N 2.88Å; L170-E176 HydrophobicContact CD1-CG 4.06Å; V174-E176 HydrophobicContact CG1-CG 4.37Å; E176-Y178 HydrophobicContact CB-CD2 4.38Å; E176-Y178 HydrophobicContact CB-CE2 3.55Å; E176-Y178 PolarHBondContact OE2-OH 3.38Å; E176-P191 HydrophobicContact CB-CB 4.09Å; E176-P191 HydrophobicContact CG-CB 4.18Å |
| 177 | V | 93.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 124.4 | -179.6 | -173.4 | 0 | 0 | 0 | 0 | 109.7 | L165 L167 I175 K192 Y193 L195 L229 | L165-V177 HydrophobicContact CB-CG1 4.14Å; L165-V177 HydrophobicContact CD1-CG1 4Å; L165-V177 HydrophobicContact CD2-CG1 4.43Å; L165-V177 HydrophobicContact CG-CG1 4.42Å; L167-V177 HydrophobicContact CD2-CG2 3.99Å; L167-V177 HydrophobicContact CG-CB 4.49Å; L167-V177 HydrophobicContact CG-CG1 4.14Å; L167-V177 HydrophobicContact CG-CG2 3.97Å; I175-V177 HydrophobicContact CG2-CG2 4.44Å; V177-K192 WeakPolarHBondContact O-CB 3.42Å; V177-K192 PolarHBondContact O-N 3.26Å; V177-Y193 HydrophobicContact CB-CD2 4.31Å; V177-Y193 HydrophobicContact CG1-CD2 4.3Å; V177-Y193 PolarHBondContact N-O 2.85Å; V177-Y193 PolarHBondContact O-N 2.91Å; V177-L195 HydrophobicContact CG2-CD1 4.12Å; V177-L195 HydrophobicContact CG2-CG 4.07Å; V177-L229 HydrophobicContact CG2-CD2 4.41Å |
| 178 | Y | 91.4 | Very high | 86.1 | Confident | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.016 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 140.4 | 179.5 | -62.4 | -93.1 | 0 | 0 | 0 | 110.2 | I125 L165 L166 L168 E176 L183 P191 | I125-Y178 HydrophobicContact CD1-CD1 4.36Å; I125-Y178 HydrophobicContact CD1-CD2 4.27Å; I125-Y178 HydrophobicContact CD1-CG 4.16Å; I125-Y178 HydrophobicContact CG2-CD1 4.46Å; I125-Y178 HydrophobicContact CG2-CE1 3.76Å; I125-Y178 HydrophobicContact CG2-CE2 4.07Å; L165-Y178 CarbonylContact C-O 3.55Å; L165-Y178 VanDerWaalsContact CA-O 3.25Å; L165-Y178 WeakPolarHBondContact CA-O 3.43Å; L166-Y178 PolarHBondContact N-O 2.84Å; L166-Y178 PolarHBondContact O-N 3.23Å; L168-Y178 HydrophobicContact CD1-CD2 4.15Å; L168-Y178 HydrophobicContact CD1-CE2 3.76Å; L168-Y178 HydrophobicContact CG-CD2 4.47Å; L168-Y178 HydrophobicContact CG-CE2 4.37Å; E176-Y178 HydrophobicContact CB-CD2 4.38Å; E176-Y178 HydrophobicContact CB-CE2 3.55Å; E176-Y178 PolarHBondContact OE2-OH 3.38Å; Y178-L183 HydrophobicContact CD1-CD2 3.96Å; Y178-L183 HydrophobicContact CG-CD2 4.41Å; Y178-P191 HydrophobicContact CE1-CB 3.96Å; Y178-P191 HydrophobicContact CE2-CB 4.31Å |
| 179 | N | 88.7 | Confident | 85 | Confident | 11 Ų | 11 | 40 Ų | 40 | 6% | 0.059 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 121.6 | 168.5 | 179.4 | -34.9 | 0 | 0 | 0 | 108.8 | I157 L165 F181 S182 L183 K192 | I157-N179 HydrophobicContact CG2-CB 4.29Å; I157-N179 PolarHBondContact O-ND2 3Å; L165-N179 HydrophobicContact CD2-CB 3.97Å; N179-F181 VanDerWaalsContact C-N 3.32Å; N179-F181 PolarHBondContact O-N 2.93Å; N179-F181 WeakPolarHBondContact OD1-CB 3.41Å; N179-F181 PolarHBondContact OD1-N 3.44Å; N179-S182 VanDerWaalsContact O-CB 3.27Å; N179-S182 WeakPolarHBondContact O-CB 3.45Å; N179-S182 PolarHBondContact O-N 3.12Å; N179-S182 VanDerWaalsContact O-N 3.1Å; N179-L183 PolarHBondContact O-N 3.04Å; N179-L183 VanDerWaalsContact O-N 3.11Å; N179-K192 HydrophobicContact CB-CD 3.7Å |
| 180 | V | 88.7 | Confident | 83.8 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.7 | -39.8 | -174.6 | -178 | 0 | 0 | 0 | 0 | 111.7 | F36 F123 F136 S164 L166 S182 L183 V184 | F36-V180 HydrophobicContact CD1-CG1 4.08Å; F36-V180 HydrophobicContact CD2-CG1 3.63Å; F36-V180 HydrophobicContact CE1-CG1 4.08Å; F36-V180 HydrophobicContact CE2-CG1 3.62Å; F36-V180 HydrophobicContact CG-CG1 3.86Å; F36-V180 HydrophobicContact CZ-CG1 3.85Å; F123-V180 HydrophobicContact CE1-CG1 4.43Å; F136-V180 HydrophobicContact CD1-CG2 3.99Å; F136-V180 HydrophobicContact CE1-CG2 3.72Å; S164-V180 WeakPolarHBondContact O-CG2 3.47Å; S164-V180 PolarHBondContact O-N 2.96Å; L166-V180 HydrophobicContact CB-CG2 4.14Å; V180-S182 VanDerWaalsContact C-N 3.29Å; V180-S182 PolarHBondContact O-N 3.27Å; V180-L183 WeakPolarHBondContact O-CB 3.5Å; V180-L183 PolarHBondContact O-N 3.35Å; V180-L183 VanDerWaalsContact O-N 3.13Å; V180-V184 WeakPolarHBondContact O-CG2 3.03Å; V180-V184 PolarHBondContact O-N 3.46Å |
| 181 | F | 84.1 | Confident | 82.6 | Confident | 132 Ų | 132 | 47 Ų | 47 | 58% | 0.579 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -63.7 | -37.5 | 178 | -172.5 | -97.1 | 0 | 0 | 0 | 112.1 | N179 L183 V184 S185 | N179-F181 VanDerWaalsContact C-N 3.32Å; N179-F181 PolarHBondContact O-N 2.93Å; N179-F181 WeakPolarHBondContact OD1-CB 3.41Å; N179-F181 PolarHBondContact OD1-N 3.44Å; F181-L183 VanDerWaalsContact C-N 3.32Å; F181-L183 PolarHBondContact O-N 3.3Å; F181-V184 PolarHBondContact O-N 2.99Å; F181-S185 WeakPolarHBondContact O-CB 3.4Å; F181-S185 PolarHBondContact O-N 2.97Å; F181-S185 PolarHBondContact O-OG 3.02Å |
| 182 | S | 82.3 | Confident | 81.8 | Confident | 26 Ų | 26 | 45.3 Ų | 45.3 | 18% | 0.182 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.9 | -150.5 | 0 | 0 | 0 | 0 | 111.7 | N179 V180 V184 S185 S186 K192 | N179-S182 VanDerWaalsContact O-CB 3.27Å; N179-S182 WeakPolarHBondContact O-CB 3.45Å; N179-S182 PolarHBondContact O-N 3.12Å; N179-S182 VanDerWaalsContact O-N 3.1Å; V180-S182 VanDerWaalsContact C-N 3.29Å; V180-S182 PolarHBondContact O-N 3.27Å; S182-V184 VanDerWaalsContact C-N 3.3Å; S182-V184 PolarHBondContact O-N 3.36Å; S182-S185 PolarHBondContact O-N 2.85Å; S182-S186 PolarHBondContact O-N 2.57Å; S182-S186 VanDerWaalsContact O-O 3.09Å; S182-S186 PolarHBondContact O-OG 3.03Å; S182-S186 PolarHBondContact OG-OG 3.43Å; S182-K192 WeakPolarHBondContact OG-CE 3.44Å; S182-K192 PolarHBondContact OG-NZ 3.26Å; S182-K192 VanDerWaalsContact OG-NZ 3.16Å |
| 183 | L | 84.5 | Confident | 81.3 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.5 | -35.3 | 177.8 | -66.9 | 172.6 | 0 | 0 | 0 | 112.1 | F123 I125 L166 Y178 N179 V180 F181 H189 | F123-L183 HydrophobicContact CB-CB 4.05Å; F123-L183 HydrophobicContact CD1-CB 3.94Å; F123-L183 HydrophobicContact CD1-CD1 4.43Å; F123-L183 HydrophobicContact CD2-CB 4.43Å; F123-L183 HydrophobicContact CD2-CD1 4.09Å; F123-L183 HydrophobicContact CE1-CB 4.49Å; F123-L183 HydrophobicContact CE1-CD1 4.31Å; F123-L183 HydrophobicContact CE2-CD1 3.96Å; F123-L183 HydrophobicContact CG-CB 3.89Å; F123-L183 HydrophobicContact CG-CD1 4.32Å; F123-L183 HydrophobicContact CZ-CD1 4.07Å; I125-L183 HydrophobicContact CD1-CD1 3.59Å; I125-L183 HydrophobicContact CD1-CD2 3.8Å; I125-L183 HydrophobicContact CD1-CG 4.35Å; I125-L183 HydrophobicContact CG1-CD1 4.33Å; I125-L183 HydrophobicContact CG1-CD2 3.74Å; L166-L183 HydrophobicContact CD2-CD1 4.37Å; Y178-L183 HydrophobicContact CD1-CD2 3.96Å; Y178-L183 HydrophobicContact CG-CD2 4.41Å; N179-L183 PolarHBondContact O-N 3.04Å; N179-L183 VanDerWaalsContact O-N 3.11Å; V180-L183 WeakPolarHBondContact O-CB 3.5Å; V180-L183 PolarHBondContact O-N 3.35Å; V180-L183 VanDerWaalsContact O-N 3.13Å; F181-L183 VanDerWaalsContact C-N 3.32Å; F181-L183 PolarHBondContact O-N 3.3Å; L183-H189 HydrophobicContact CD2-CB 3.66Å; L183-H189 PolarHBondContact O-CE1 2.86Å |
| 184 | V | 83.7 | Confident | 81.2 | Confident | 72 Ų | 72 | 46.9 Ų | 46.9 | 44% | 0.436 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -77.7 | -36.3 | 178.4 | -176.1 | 0 | 0 | 0 | 0 | 112 | F36 I122 F123 V180 F181 S182 | F36-V184 HydrophobicContact CE1-CG2 4.02Å; F36-V184 HydrophobicContact CZ-CG2 4.48Å; I122-V184 HydrophobicContact CG2-CB 4.17Å; I122-V184 HydrophobicContact CG2-CG1 3.83Å; I122-V184 HydrophobicContact CG2-CG2 3.62Å; F123-V184 HydrophobicContact CD1-CG2 4.45Å; V180-V184 WeakPolarHBondContact O-CG2 3.03Å; V180-V184 PolarHBondContact O-N 3.46Å; F181-V184 PolarHBondContact O-N 2.99Å; S182-V184 VanDerWaalsContact C-N 3.3Å; S182-V184 PolarHBondContact O-N 3.36Å |
| 185 | S | 80.7 | Confident | 81.1 | Confident | 79 Ų | 79 | 45.7 Ų | 45.7 | 55% | 0.552 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -93.3 | -24.9 | -170.6 | 54.3 | 0 | 0 | 0 | 0 | 115 | F181 S182 | F181-S185 WeakPolarHBondContact O-CB 3.4Å; F181-S185 PolarHBondContact O-N 2.97Å; F181-S185 PolarHBondContact O-OG 3.02Å; S182-S185 PolarHBondContact O-N 2.85Å |
| 186 | S | 68.9 | Low | 80.7 | Confident | 49 Ų | 49 | 49.8 Ų | 49.8 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -141.4 | 139.8 | -167.4 | 61.5 | 0 | 0 | 0 | 0 | 113 | S182 H189 | S182-S186 PolarHBondContact O-N 2.57Å; S182-S186 VanDerWaalsContact O-O 3.09Å; S182-S186 PolarHBondContact O-OG 3.03Å; S182-S186 PolarHBondContact OG-OG 3.43Å; S186-H189 PolarHBondContact O-CE1 3.43Å; S186-H189 PolarHBondContact O-ND1 2.79Å | ||
| 187 | S | 66.2 | Low | 80 | Confident | 103 Ų | 103 | 52.5 Ų | 52.5 | 72% | 0.72 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -126.2 | 142.7 | 165.6 | 61.7 | 0 | 0 | 0 | 0 | 108.7 | ||
| 188 | P | 64.1 | Low | 79.1 | Confident | 106 Ų | 106 | 56.1 Ų | 56.1 | 69% | 0.688 | 32% | 0.321 | S | S | * | . | S | Bend | cis | -78.8 | 152.5 | 9.1 | 32.3 | -35.9 | 0 | 0 | 0 | 114.4 | I190 | P188-I190 HydrophobicContact CG-CD1 4.39Å; P188-I190 HydrophobicContact CG-CG1 4.43Å; P188-I190 PolarHBondContact O-N 2.88Å |
| 189 | H | 72.3 | Confident | 78.7 | Confident | 48 Ų | 48 | 61.9 Ų | 61.9 | 22% | 0.222 | 36% | 0.361 | C | S | . | . | trans | -85.6 | 95.1 | 176.9 | -53.6 | -42.9 | 0 | 0 | 0 | 109.9 | R124 L183 S186 | R124-H189 PolarHBondContact O-CD2 3.28Å; R124-H189 VanDerWaalsContact O-CD2 3.28Å; L183-H189 HydrophobicContact CD2-CB 3.66Å; L183-H189 PolarHBondContact O-CE1 2.86Å; S186-H189 PolarHBondContact O-CE1 3.43Å; S186-H189 PolarHBondContact O-ND1 2.79Å | ||
| 190 | I | 67.8 | Low | 78.7 | Confident | 123 Ų | 123 | 63.4 Ų | 63.4 | 63% | 0.631 | 37% | 0.371 | S | S | * | . | trans | -93.1 | 133.9 | 174.8 | -58.9 | 169.6 | 0 | 0 | 0 | 108.1 | P188 K192 | P188-I190 HydrophobicContact CG-CD1 4.39Å; P188-I190 HydrophobicContact CG-CG1 4.43Å; P188-I190 PolarHBondContact O-N 2.88Å; I190-K192 PolarHBondContact O-N 3.02Å | ||
| 191 | P | 67.9 | Low | 78.7 | Confident | 27 Ų | 27 | 64.8 Ų | 64.8 | 18% | 0.175 | 38% | 0.378 | C | S | . | . | trans | -59 | 128.2 | 173.4 | 24.5 | -33.1 | 0 | 0 | 0 | 109.2 | E176 Y178 V194 | E176-P191 HydrophobicContact CB-CB 4.09Å; E176-P191 HydrophobicContact CG-CB 4.18Å; Y178-P191 HydrophobicContact CE1-CB 3.96Å; Y178-P191 HydrophobicContact CE2-CB 4.31Å; P191-V194 HydrophobicContact CB-CG2 4.11Å; P191-V194 HydrophobicContact CG-CG2 4.13Å | ||
| 192 | K | 72.4 | Confident | 78.9 | Confident | 69 Ų | 69 | 58.5 Ų | 58.5 | 30% | 0.3 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -83.2 | -42.1 | -171 | -98.2 | -179.9 | 177.2 | -164.3 | 0 | 110.3 | I157 V177 N179 S182 I190 | I157-K192 HydrophobicContact CB-CB 4.4Å; I157-K192 HydrophobicContact CB-CD 4.24Å; I157-K192 HydrophobicContact CD1-CB 3.51Å; I157-K192 HydrophobicContact CD1-CG 4.16Å; I157-K192 WeakPolarHBondContact CD1-O 3.35Å; I157-K192 HydrophobicContact CG1-CB 3.58Å; I157-K192 HydrophobicContact CG1-CD 3.8Å; I157-K192 HydrophobicContact CG1-CG 3.75Å; I157-K192 HydrophobicContact CG2-CB 4Å; I157-K192 HydrophobicContact CG2-CD 3.95Å; I157-K192 HydrophobicContact CG2-CG 4.48Å; V177-K192 WeakPolarHBondContact O-CB 3.42Å; V177-K192 PolarHBondContact O-N 3.26Å; N179-K192 HydrophobicContact CB-CD 3.7Å; S182-K192 WeakPolarHBondContact OG-CE 3.44Å; S182-K192 PolarHBondContact OG-NZ 3.26Å; S182-K192 VanDerWaalsContact OG-NZ 3.16Å; I190-K192 PolarHBondContact O-N 3.02Å |
| 193 | Y | 80.3 | Confident | 79.2 | Confident | 22 Ų | 22 | 59.4 Ų | 59.4 | 9% | 0.086 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 150.6 | 161.2 | -60 | -72.7 | 0 | 0 | 0 | 110.6 | S155 I157 V158 V177 D232 | S155-Y193 VanDerWaalsContact CB-OH 3.27Å; S155-Y193 WeakPolarHBondContact CB-OH 3Å; S155-Y193 PolarHBondContact OG-OH 3.41Å; I157-Y193 HydrophobicContact CB-CE2 3.98Å; I157-Y193 HydrophobicContact CD1-CD1 3.65Å; I157-Y193 HydrophobicContact CD1-CD2 3.52Å; I157-Y193 HydrophobicContact CD1-CE1 3.55Å; I157-Y193 HydrophobicContact CD1-CE2 3.43Å; I157-Y193 VanDerWaalsContact CD1-CE2 3.43Å; I157-Y193 HydrophobicContact CD1-CG 3.65Å; I157-Y193 VanDerWaalsContact CD1-CZ 3.48Å; I157-Y193 HydrophobicContact CG1-CE2 4.3Å; I157-Y193 HydrophobicContact CG2-CD2 4.23Å; I157-Y193 HydrophobicContact CG2-CE2 3.92Å; V158-Y193 HydrophobicContact CG2-CE2 4.07Å; V177-Y193 HydrophobicContact CB-CD2 4.31Å; V177-Y193 HydrophobicContact CG1-CD2 4.3Å; V177-Y193 PolarHBondContact N-O 2.85Å; V177-Y193 PolarHBondContact O-N 2.91Å; Y193-D232 HydrophobicContact CE1-CB 4.33Å; Y193-D232 PolarHBondContact OH-OD1 2.75Å |
| 194 | V | 87.3 | Confident | 79.6 | Confident | 74 Ų | 74 | 61.4 Ų | 61.4 | 45% | 0.448 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 100.7 | 170.8 | -175 | 0 | 0 | 0 | 0 | 105.5 | V174 I175 P191 T196 | V174-V194 HydrophobicContact CG1-CG1 3.25Å; I175-V194 WeakPolarHBondContact O-CA 3.12Å; P191-V194 HydrophobicContact CB-CG2 4.11Å; P191-V194 HydrophobicContact CG-CG2 4.13Å; V194-T196 HydrophobicContact CG1-CG2 3.9Å |
| 195 | L | 89.8 | Confident | 80.1 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.031 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 122.5 | 179.1 | -38.4 | 175.8 | 0 | 0 | 0 | 108 | I175 V177 W227 L229 G233 | I175-L195 HydrophobicContact CB-CB 4.04Å; I175-L195 HydrophobicContact CB-CD1 4.24Å; I175-L195 HydrophobicContact CB-CG 4.28Å; I175-L195 HydrophobicContact CD1-CB 4.47Å; I175-L195 HydrophobicContact CD1-CD1 4.39Å; I175-L195 HydrophobicContact CG2-CD1 4.17Å; I175-L195 PolarHBondContact N-O 2.83Å; I175-L195 PolarHBondContact O-N 3.06Å; V177-L195 HydrophobicContact CG2-CD1 4.12Å; V177-L195 HydrophobicContact CG2-CG 4.07Å; L195-W227 HydrophobicContact CB-CD2 4.32Å; L195-W227 HydrophobicContact CB-CE3 3.95Å; L195-W227 HydrophobicContact CB-CH2 4.18Å; L195-W227 HydrophobicContact CB-CZ3 3.86Å; L195-W227 HydrophobicContact CD1-CB 4.21Å; L195-W227 HydrophobicContact CD1-CD2 4.05Å; L195-W227 HydrophobicContact CD1-CE3 4.21Å; L195-W227 HydrophobicContact CD1-CG 4.05Å; L195-W227 HydrophobicContact CG-CE3 4.48Å; L195-L229 HydrophobicContact CD1-CD2 3.89Å; L195-L229 HydrophobicContact CD2-CD2 4.35Å; L195-G233 WeakPolarHBondContact CD2-O 3.31Å |
| 196 | T | 86.1 | Confident | 80.8 | Confident | 85 Ų | 85 | 55.4 Ų | 55.4 | 52% | 0.521 | 32% | 0.321 | S | S | . | . | trans | -140.4 | 149.2 | 179.9 | 61.7 | 0 | 0 | 0 | 0 | 109.5 | V174 V194 | V174-T196 HydrophobicContact CB-CG2 4.17Å; V174-T196 HydrophobicContact CG1-CG2 3.88Å; V174-T196 HydrophobicContact CG2-CG2 3.76Å; V194-T196 HydrophobicContact CG1-CG2 3.9Å | ||
| 197 | D | 79 | Confident | 82.1 | Confident | 59 Ų | 59 | 53.6 Ų | 53.6 | 32% | 0.316 | 31% | 0.309 | S | S | . | . | S | Bend | trans | -144.6 | -56.5 | 171.9 | -179.7 | 44.8 | 0 | 0 | 0 | 108 | R225 W227 M235 K238 | D197-R225 IonicContact OD2-CZ 3.16Å; D197-R225 IonicContact OD2-NE 3.73Å; D197-R225 PolarHBondContact OD2-NE 2.98Å; D197-R225 IonicContact OD2-NH2 3.86Å; D197-W227 HydrophobicContact CB-CH2 3.98Å; D197-M235 HydrophobicContact CB-CE 4.2Å; D197-M235 HydrophobicContact CB-SD 4.46Å; D197-M235 VanDerWaalsContact CG-CE 3.45Å; D197-M235 WeakPolarHBondContact OD1-CE 3.36Å; D197-M235 WeakPolarHBondContact OD2-CE 3.35Å; D197-K238 IonicContact OD1-NZ 3.39Å; D197-K238 PolarHBondContact OD1-NZ 3.02Å; D197-K238 WeakPolarHBondContact OD2-CE 3.33Å; D197-K238 IonicContact OD2-NZ 2.81Å; D197-K238 PolarHBondContact OD2-NZ 3.4Å |
| 198 | D | 75.5 | Confident | 83.4 | Confident | 75 Ų | 75 | 48.8 Ų | 48.8 | 40% | 0.401 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -134.9 | 155.6 | 176.2 | -62.8 | -57.2 | 0 | 0 | 0 | 111.2 | T200 R225 | D198-T200 HydrophobicContact CB-CG2 4.38Å; D198-T200 PolarHBondContact O-N 3.48Å; D198-R225 IonicContact OD2-CZ 3Å; D198-R225 IonicContact OD2-NH2 2.67Å; D198-R225 PolarHBondContact OD2-NH2 3.24Å |
| 199 | C | 81.6 | Confident | 84.7 | Confident | 126 Ų | 126 | 46.7 Ų | 46.7 | 85% | 0.851 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -76.4 | 48.6 | 179 | -59.4 | 0 | 0 | 0 | 0 | 113.1 | S172 | S172-C199 CarbonylContact O-C 3.52Å; S172-C199 VanDerWaalsContact O-CA 3.24Å; S172-C199 WeakPolarHBondContact O-CA 3.33Å |
| 200 | T | 88.5 | Confident | 85.5 | Confident | 43 Ų | 43 | 45.8 Ų | 45.8 | 26% | 0.264 | 26% | 0.255 | S | S | . | . | trans | -112.9 | 125.5 | -177.1 | 55.8 | 0 | 0 | 0 | 0 | 111.9 | G173 D198 V202 H219 | G173-T200 WeakPolarHBondContact CA-O 3.26Å; D198-T200 HydrophobicContact CB-CG2 4.38Å; D198-T200 PolarHBondContact O-N 3.48Å; T200-V202 PolarHBondContact O-N 2.88Å; T200-H219 PolarHBondContact O-ND1 3.48Å; T200-H219 PolarHBondContact OG1-ND1 3Å | ||
| 201 | L | 88.8 | Confident | 86.5 | Confident | 30 Ų | 30 | 40.3 Ų | 40.3 | 16% | 0.157 | 23% | 0.229 | C | C | . | . | trans | -44.6 | 124.1 | -178.8 | -173.4 | 162.8 | 0 | 0 | 0 | 113.5 | I132 E171 H219 R220 | I132-L201 HydrophobicContact CD1-CD1 3.59Å; I132-L201 HydrophobicContact CD1-CD2 3.54Å; I132-L201 HydrophobicContact CD1-CG 3.35Å; I132-L201 HydrophobicContact CG2-CD2 4.46Å; E171-L201 HydrophobicContact CG-CD1 3.99Å; E171-L201 HydrophobicContact CG-CG 4.34Å; E171-L201 WeakPolarHBondContact O-CA 3.48Å; L201-H219 CarbonylContact O-C 3.51Å; L201-H219 VanDerWaalsContact O-CA 3.28Å; L201-H219 WeakPolarHBondContact O-CA 3.48Å; L201-R220 HydrophobicContact CB-CB 4.19Å; L201-R220 PolarHBondContact O-N 2.96Å | ||
| 202 | V | 89.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 105 | 175.9 | 178.6 | 0 | 0 | 0 | 0 | 110.1 | S133 L170 I175 T200 L205 H219 | S133-V202 PolarHBondContact OG-O 3.03Å; L170-V202 PolarHBondContact O-N 3.35Å; I175-V202 HydrophobicContact CD1-CG2 4.4Å; I175-V202 HydrophobicContact CG1-CG1 4.46Å; I175-V202 HydrophobicContact CG1-CG2 4.09Å; T200-V202 PolarHBondContact O-N 2.88Å; V202-L205 HydrophobicContact CG1-CD2 3.84Å; V202-L205 HydrophobicContact CG1-CG 3.88Å; V202-H219 WeakPolarHBondContact CG2-CE1 3.32Å; V202-H219 WeakPolarHBondContact CG2-ND1 3.35Å |
| 203 | Y | 89.3 | Confident | 88.6 | Confident | 45 Ų | 45 | 35.9 Ų | 35.9 | 18% | 0.176 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | -12.4 | -176.7 | 71.2 | -94.5 | 0 | 0 | 0 | 114 | S133 V218 H219 A258 C259 F406 | S133-Y203 WeakPolarHBondContact CB-O 3.49Å; Y203-V218 HydrophobicContact CE1-CB 4.19Å; Y203-V218 HydrophobicContact CE1-CG1 3.69Å; Y203-V218 HydrophobicContact CE2-CB 4.37Å; Y203-V218 HydrophobicContact CE2-CG1 4.23Å; Y203-V218 PolarHBondContact N-O 2.88Å; Y203-V218 VanDerWaalsContact N-O 3.13Å; Y203-V218 WeakPolarHBondContact OH-CG1 3.39Å; Y203-H219 WeakPolarHBondContact CE1-O 3.48Å; Y203-A258 PolarHBondContact OH-O 3.17Å; Y203-C259 WeakPolarHBondContact CE2-O 2.97Å; Y203-C259 WeakPolarHBondContact OH-CA 3.42Å; Y203-C259 PolarHBondContact OH-O 3.4Å; Y203-F406 HydrophobicContact CD2-CE1 4.3Å; Y203-F406 HydrophobicContact CG-CE1 4.24Å |
| 204 | L | 92.5 | Very high | 89.2 | Confident | 48 Ų | 48 | 35.6 Ų | 35.6 | 25% | 0.251 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 134 | 173.7 | -174.7 | 71.2 | 0 | 0 | 0 | 111 | S217 V218 F261 | L204-S217 WeakPolarHBondContact O-CA 3.37Å; L204-V218 HydrophobicContact CB-CB 4.07Å; L204-V218 HydrophobicContact CB-CG2 4.1Å; L204-V218 HydrophobicContact CD2-CG2 4.01Å; L204-V218 HydrophobicContact CG-CG2 4.46Å; L204-V218 PolarHBondContact O-N 2.82Å; L204-F261 HydrophobicContact CD2-CB 4.34Å |
| 205 | L | 94.5 | Very high | 89.6 | Confident | 10 Ų | 10 | 32 Ų | 32 | 5% | 0.052 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 138.8 | 169.1 | -71.7 | 171.3 | 0 | 0 | 0 | 109.6 | T135 L167 G169 I175 V202 V215 | T135-L205 HydrophobicContact CG2-CB 3.68Å; L167-L205 HydrophobicContact CB-CD1 4.17Å; G169-L205 VanDerWaalsContact N-CD1 3.27Å; I175-L205 HydrophobicContact CD1-CD2 3.74Å; I175-L205 HydrophobicContact CG1-CD2 4.11Å; I175-L205 HydrophobicContact CG2-CD1 4.08Å; I175-L205 HydrophobicContact CG2-CD2 4.24Å; V202-L205 HydrophobicContact CG1-CD2 3.84Å; V202-L205 HydrophobicContact CG1-CG 3.88Å; L205-V215 HydrophobicContact CD2-CG1 4.24Å |
| 206 | S | 95 | Very high | 89.9 | Confident | 15 Ų | 15 | 31.8 Ų | 31.8 | 11% | 0.105 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.5 | 120.5 | 177.9 | -168.5 | 0 | 0 | 0 | 0 | 109.7 | V215 G216 W263 | S206-V215 CarbonylContact O-C 3.58Å; S206-V215 WeakPolarHBondContact O-CA 3.36Å; S206-G216 PolarHBondContact N-O 3.12Å; S206-G216 PolarHBondContact O-N 2.76Å; S206-W263 VanDerWaalsContact O-CD1 3.25Å; S206-W263 PolarHBondContact O-NE1 2.75Å |
| 207 | A | 95.2 | Very high | 90.4 | Very high | 12 Ų | 12 | 27.7 Ų | 27.7 | 10% | 0.099 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 147.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | T135 F136 A137 R214 V215 | T135-A207 HydrophobicContact CG2-CB 4.37Å; F136-A207 WeakPolarHBondContact O-CB 3.37Å; A137-A207 HydrophobicContact CB-CB 3.58Å; A207-R214 WeakPolarHBondContact CA-O 3.47Å; A207-V215 HydrophobicContact CB-CG2 4.21Å |
| 208 | A | 94.6 | Very high | 91.1 | Very high | 1 Ų | 1 | 24.9 Ų | 24.9 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | trans | -71.1 | 140.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | D210 R214 W263 | A208-D210 VanDerWaalsContact CB-OD1 3.26Å; A208-D210 WeakPolarHBondContact CB-OD1 3.41Å; A208-R214 HydrophobicContact CB-CB 4.15Å; A208-R214 WeakPolarHBondContact CB-O 3.44Å; A208-R214 PolarHBondContact N-O 2.89Å; A208-W263 HydrophobicContact CB-CB 4.47Å; A208-W263 HydrophobicContact CB-CD2 3.82Å; A208-W263 HydrophobicContact CB-CE3 4.1Å; A208-W263 HydrophobicContact CB-CG 3.97Å | ||
| 209 | I | 90.5 | Very high | 91.9 | Very high | 63 Ų | 63 | 21.4 Ų | 21.4 | 32% | 0.323 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -9.2 | -175 | -56.5 | 157.3 | 0 | 0 | 0 | 111.6 | G211 K309 | I209-G211 PolarHBondContact O-N 2.94Å; I209-K309 HydrophobicContact CD1-CD 4.26Å |
| 210 | D | 89.9 | Confident | 92.2 | Very high | 28 Ų | 28 | 24.4 Ų | 24.4 | 15% | 0.15 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -2.6 | -176.9 | 65.2 | -15.2 | 0 | 0 | 0 | 114.2 | F143 A208 S212 R214 G267 | F143-D210 WeakPolarHBondContact CG-O 3.36Å; A208-D210 VanDerWaalsContact CB-OD1 3.26Å; A208-D210 WeakPolarHBondContact CB-OD1 3.41Å; D210-S212 VanDerWaalsContact C-N 3.3Å; D210-S212 VanDerWaalsContact OD1-CB 3.25Å; D210-S212 WeakPolarHBondContact OD1-CB 3.46Å; D210-S212 PolarHBondContact OD1-N 2.93Å; D210-S212 PolarHBondContact OD1-OG 3.15Å; D210-S212 WeakPolarHBondContact OD2-CB 3.23Å; D210-S212 PolarHBondContact OD2-OG 2.97Å; D210-R214 IonicContact OD2-CZ 3.4Å; D210-R214 IonicContact OD2-NH2 3.08Å; D210-R214 PolarHBondContact OD2-NH2 2.86Å; D210-G267 WeakPolarHBondContact OD2-CA 3.49Å |
| 211 | G | 89.1 | Confident | 92.1 | Very high | 8 Ų | 8 | 23.9 Ų | 23.9 | 8% | 0.082 | 12% | 0.121 | C | C | . | . | S | Bend | trans | 82.7 | 3.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G139 D140 I209 L213 | G139-G211 WeakPolarHBondContact CA-O 3.01Å; D140-G211 PolarHBondContact N-O 2.96Å; I209-G211 PolarHBondContact O-N 2.94Å; G211-L213 PolarHBondContact O-N 2.86Å |
| 212 | S | 91.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 22.8 Ų | 22.8 | 1% | 0.014 | 12% | 0.117 | C | C | . | . | B | Isolated β-bridge | trans | -76.3 | -0.9 | -179.1 | 67.6 | 0 | 0 | 0 | 0 | 114.4 | F143 D210 R214 | F143-S212 WeakPolarHBondContact O-CA 3.19Å; F143-S212 WeakPolarHBondContact O-CB 3.17Å; D210-S212 VanDerWaalsContact C-N 3.3Å; D210-S212 VanDerWaalsContact OD1-CB 3.25Å; D210-S212 WeakPolarHBondContact OD1-CB 3.46Å; D210-S212 PolarHBondContact OD1-N 2.93Å; D210-S212 PolarHBondContact OD1-OG 3.15Å; D210-S212 WeakPolarHBondContact OD2-CB 3.23Å; D210-S212 PolarHBondContact OD2-OG 2.97Å; S212-R214 PolarHBondContact O-N 2.91Å; S212-R214 PolarHBondContact OG-NE 2.87Å |
| 213 | L | 92.1 | Very high | 92.1 | Very high | 1 Ų | 1 | 24.6 Ų | 24.6 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | trans | 46.1 | 34.2 | -173.9 | -65.8 | 180 | 0 | 0 | 0 | 114.3 | A137 T138 G139 V158 L165 G211 L229 W230 | A137-L213 HydrophobicContact CB-CD2 3.94Å; T138-L213 VanDerWaalsContact C-CD2 3.49Å; G139-L213 VanDerWaalsContact CA-CD2 3.41Å; G139-L213 VanDerWaalsContact CA-CG 3.41Å; V158-L213 HydrophobicContact CG1-CD1 3.77Å; L165-L213 HydrophobicContact CD1-CD1 4.18Å; L165-L213 HydrophobicContact CD1-CD2 4.22Å; G211-L213 PolarHBondContact O-N 2.86Å; L213-L229 HydrophobicContact CB-CB 3.97Å; L213-L229 HydrophobicContact CB-CD1 4.31Å; L213-L229 HydrophobicContact CB-CG 4.48Å; L213-L229 WeakPolarHBondContact O-CB 3.3Å; L213-L229 VanDerWaalsContact O-CG 3.3Å; L213-L229 WeakPolarHBondContact O-CG 3.33Å; L213-L229 PolarHBondContact O-N 3.33Å; L213-L229 VanDerWaalsContact O-N 3.14Å; L213-W230 HydrophobicContact CB-CG 4.46Å; L213-W230 HydrophobicContact CD1-CD2 4.03Å; L213-W230 HydrophobicContact CD1-CG 4.36Å; L213-W230 HydrophobicContact CD1-CZ2 3.74Å; L213-W230 HydrophobicContact CG-CZ2 4.42Å | ||
| 214 | R | 94.3 | Very high | 92.3 | Very high | 16 Ų | 16 | 22.5 Ų | 22.5 | 6% | 0.06 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 138.5 | 170.2 | -69.5 | 179.7 | -69.5 | 171.1 | -1.6 | 109.7 | A207 A208 D210 S212 W227 Y236 W263 G267 E285 | A207-R214 WeakPolarHBondContact CA-O 3.47Å; A208-R214 HydrophobicContact CB-CB 4.15Å; A208-R214 WeakPolarHBondContact CB-O 3.44Å; A208-R214 PolarHBondContact N-O 2.89Å; D210-R214 IonicContact OD2-CZ 3.4Å; D210-R214 IonicContact OD2-NH2 3.08Å; D210-R214 PolarHBondContact OD2-NH2 2.86Å; S212-R214 PolarHBondContact O-N 2.91Å; S212-R214 PolarHBondContact OG-NE 2.87Å; R214-W227 WeakPolarHBondContact CA-O 3.19Å; R214-Y236 WeakPolarHBondContact CD-OH 3.31Å; R214-Y236 HydrophobicContact CG-CE1 4.44Å; R214-W263 HydrophobicContact CB-CH2 3.89Å; R214-W263 HydrophobicContact CB-CZ2 3.87Å; R214-G267 PolarHBondContact NH1-O 2.94Å; R214-G267 PolarHBondContact NH2-O 2.86Å; R214-E285 IonicContact NH1-OE1 2.6Å; R214-E285 PolarHBondContact NH1-OE1 2.74Å |
| 215 | V | 95.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 136.4 | -178 | 179 | 0 | 0 | 0 | 0 | 109 | L167 L205 S206 A207 L226 W227 L229 | L167-V215 HydrophobicContact CD2-CB 4.3Å; L167-V215 HydrophobicContact CD2-CG1 3.92Å; L167-V215 HydrophobicContact CD2-CG2 3.74Å; L205-V215 HydrophobicContact CD2-CG1 4.24Å; S206-V215 CarbonylContact O-C 3.58Å; S206-V215 WeakPolarHBondContact O-CA 3.36Å; A207-V215 HydrophobicContact CB-CG2 4.21Å; V215-L226 WeakPolarHBondContact O-CA 3.49Å; V215-W227 HydrophobicContact CB-CB 4.42Å; V215-W227 PolarHBondContact N-O 3.39Å; V215-W227 PolarHBondContact O-N 3.04Å; V215-L229 HydrophobicContact CG2-CD1 3.78Å; V215-L229 HydrophobicContact CG2-CG 4.17Å |
| 216 | G | 95.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.103 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 130.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | S206 R225 F261 | S206-G216 PolarHBondContact N-O 3.12Å; S206-G216 PolarHBondContact O-N 2.76Å; G216-R225 CarbonylContact C-O 3.53Å; G216-R225 VanDerWaalsContact CA-O 3.29Å; G216-R225 WeakPolarHBondContact CA-O 3.35Å; G216-F261 VanDerWaalsContact CA-CE1 3.47Å |
| 217 | S | 95.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 19.4 Ų | 19.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 136.3 | 170.8 | 62.3 | 0 | 0 | 0 | 0 | 109.8 | L204 H219 V224 R225 W227 | L204-S217 WeakPolarHBondContact O-CA 3.37Å; S217-H219 PolarHBondContact OG-CD2 3.12Å; S217-H219 PolarHBondContact OG-NE2 2.87Å; S217-V224 VanDerWaalsContact O-CA 3.3Å; S217-V224 WeakPolarHBondContact O-CA 3.46Å; S217-R225 PolarHBondContact N-O 3.38Å; S217-R225 PolarHBondContact O-N 3Å; S217-W227 PolarHBondContact OG-NE1 2.81Å |
| 218 | V | 93.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.095 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 123.8 | 172.9 | -165.4 | 0 | 0 | 0 | 0 | 108.9 | Y203 L204 V224 A258 F261 | Y203-V218 HydrophobicContact CE1-CB 4.19Å; Y203-V218 HydrophobicContact CE1-CG1 3.69Å; Y203-V218 HydrophobicContact CE2-CB 4.37Å; Y203-V218 HydrophobicContact CE2-CG1 4.23Å; Y203-V218 PolarHBondContact N-O 2.88Å; Y203-V218 VanDerWaalsContact N-O 3.13Å; Y203-V218 WeakPolarHBondContact OH-CG1 3.39Å; L204-V218 HydrophobicContact CB-CB 4.07Å; L204-V218 HydrophobicContact CB-CG2 4.1Å; L204-V218 HydrophobicContact CD2-CG2 4.01Å; L204-V218 HydrophobicContact CG-CG2 4.46Å; L204-V218 PolarHBondContact O-N 2.82Å; V218-V224 HydrophobicContact CB-CG2 4.3Å; V218-V224 HydrophobicContact CG1-CG2 3.91Å; V218-V224 HydrophobicContact CG2-CG2 3.89Å; V218-A258 HydrophobicContact CG1-CB 4.42Å; V218-A258 WeakPolarHBondContact CG1-O 3.46Å; V218-F261 HydrophobicContact CG2-CB 3.34Å; V218-F261 HydrophobicContact CG2-CG 4.29Å |
| 219 | H | 92.4 | Very high | 92.1 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.009 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 157.4 | -176.3 | -61.1 | -111 | 0 | 0 | 0 | 111 | T200 L201 V202 Y203 S217 G221 G222 E223 R225 | T200-H219 PolarHBondContact O-ND1 3.48Å; T200-H219 PolarHBondContact OG1-ND1 3Å; L201-H219 CarbonylContact O-C 3.51Å; L201-H219 VanDerWaalsContact O-CA 3.28Å; L201-H219 WeakPolarHBondContact O-CA 3.48Å; V202-H219 WeakPolarHBondContact CG2-CE1 3.32Å; V202-H219 WeakPolarHBondContact CG2-ND1 3.35Å; Y203-H219 WeakPolarHBondContact CE1-O 3.48Å; S217-H219 PolarHBondContact OG-CD2 3.12Å; S217-H219 PolarHBondContact OG-NE2 2.87Å; H219-G221 PolarHBondContact O-N 3Å; H219-G222 PolarHBondContact O-N 2.98Å; H219-E223 HydrophobicContact CB-CB 4.37Å; H219-E223 PolarHBondContact N-O 2.97Å; H219-R225 PolarHBondContact CD2-NH1 3.1Å; H219-R225 PolarHBondContact CE1-NH1 3.39Å; H219-R225 VanDerWaalsContact CE1-NH1 3.3Å; H219-R225 PolarHBondContact ND1-NH1 3.15Å; H219-R225 WeakPolarHBondContact NE2-CD 3.43Å; H219-R225 PolarHBondContact NE2-NH1 3.26Å; H219-R225 VanDerWaalsContact NE2-NH1 3.17Å |
| 220 | R | 88.4 | Confident | 92 | Very high | 188 Ų | 188 | 16 Ų | 16 | 71% | 0.709 | 8% | 0.079 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56 | 131.6 | 172.1 | -171.7 | 177 | -177.3 | -173.5 | 0.1 | 110.3 | L201 | L201-R220 HydrophobicContact CB-CB 4.19Å; L201-R220 PolarHBondContact O-N 2.96Å |
| 221 | G | 86.8 | Confident | 91.8 | Very high | 33 Ų | 33 | 14.8 Ų | 14.8 | 34% | 0.34 | 7% | 0.073 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | 8.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H219 | H219-G221 PolarHBondContact O-N 3Š|
| 222 | G | 87.8 | Confident | 91.6 | Very high | 6 Ų | 6 | 17.5 Ų | 17.5 | 6% | 0.062 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.3 | 13.8 | 171.2 | 0 | 0 | 0 | 0 | 0 | 115 | H219 A258 | H219-G222 PolarHBondContact O-N 2.98Å; G222-A258 WeakPolarHBondContact CA-O 3.28Å; G222-A258 PolarHBondContact O-N 3.45Å |
| 223 | E | 90.6 | Very high | 91.5 | Very high | 38 Ų | 38 | 17.8 Ų | 17.8 | 18% | 0.178 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 124.6 | 177.9 | -63 | -170.1 | 160.7 | 0 | 0 | 110.7 | H219 R225 R240 | H219-E223 HydrophobicContact CB-CB 4.37Å; H219-E223 PolarHBondContact N-O 2.97Å; E223-R225 IonicContact OE2-CZ 2.78Å; E223-R225 IonicContact OE2-NH1 3.64Å; E223-R225 PolarHBondContact OE2-NH1 2.91Å; E223-R225 IonicContact OE2-NH2 3.89Å; E223-R225 PolarHBondContact OE2-NH2 3.45Å; E223-R240 HydrophobicContact CG-CB 4.29Å; E223-R240 HydrophobicContact CG-CG 4.12Å; E223-R240 WeakPolarHBondContact OE1-CD 3.41Å; E223-R240 IonicContact OE1-CZ 3.81Å; E223-R240 IonicContact OE1-NE 4Å; E223-R240 IonicContact OE1-NH1 2.99Å; E223-R240 PolarHBondContact OE1-NH1 2.81Å |
| 224 | V | 94.1 | Very high | 91.4 | Very high | 2 Ų | 2 | 21.1 Ų | 21.1 | 1% | 0.012 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 127.5 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 110.1 | S217 V218 L226 L239 A258 F261 L272 | S217-V224 VanDerWaalsContact O-CA 3.3Å; S217-V224 WeakPolarHBondContact O-CA 3.46Å; V218-V224 HydrophobicContact CB-CG2 4.3Å; V218-V224 HydrophobicContact CG1-CG2 3.91Å; V218-V224 HydrophobicContact CG2-CG2 3.89Å; V224-L226 HydrophobicContact CG1-CD2 4.49Å; V224-L239 HydrophobicContact CB-CB 4.25Å; V224-L239 HydrophobicContact CB-CD1 4.42Å; V224-L239 HydrophobicContact CG1-CD1 4.11Å; V224-L239 PolarHBondContact O-N 3.23Å; V224-A258 HydrophobicContact CG2-CB 3.52Å; V224-F261 HydrophobicContact CG1-CD2 3.66Å; V224-F261 HydrophobicContact CG1-CE2 3.95Å; V224-F261 HydrophobicContact CG1-CG 4.15Å; V224-L272 HydrophobicContact CB-CD2 3.88Å; V224-L272 HydrophobicContact CG1-CD2 4.02Å; V224-L272 HydrophobicContact CG2-CD2 3.38Å |
| 225 | R | 93.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 22.5 Ų | 22.5 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 142.2 | 177.1 | -60 | -179.5 | 174.6 | 72.8 | 6.3 | 109.6 | D197 D198 G216 S217 H219 E223 W227 M235 G237 K238 | D197-R225 IonicContact OD2-CZ 3.16Å; D197-R225 IonicContact OD2-NE 3.73Å; D197-R225 PolarHBondContact OD2-NE 2.98Å; D197-R225 IonicContact OD2-NH2 3.86Å; D198-R225 IonicContact OD2-CZ 3Å; D198-R225 IonicContact OD2-NH2 2.67Å; D198-R225 PolarHBondContact OD2-NH2 3.24Å; G216-R225 CarbonylContact C-O 3.53Å; G216-R225 VanDerWaalsContact CA-O 3.29Å; G216-R225 WeakPolarHBondContact CA-O 3.35Å; S217-R225 PolarHBondContact N-O 3.38Å; S217-R225 PolarHBondContact O-N 3Å; H219-R225 PolarHBondContact CD2-NH1 3.1Å; H219-R225 PolarHBondContact CE1-NH1 3.39Å; H219-R225 VanDerWaalsContact CE1-NH1 3.3Å; H219-R225 PolarHBondContact ND1-NH1 3.15Å; H219-R225 WeakPolarHBondContact NE2-CD 3.43Å; H219-R225 PolarHBondContact NE2-NH1 3.26Å; H219-R225 VanDerWaalsContact NE2-NH1 3.17Å; E223-R225 IonicContact OE2-CZ 2.78Å; E223-R225 IonicContact OE2-NH1 3.64Å; E223-R225 PolarHBondContact OE2-NH1 2.91Å; E223-R225 IonicContact OE2-NH2 3.89Å; E223-R225 PolarHBondContact OE2-NH2 3.45Å; R225-W227 HydrophobicContact CB-CZ2 4.04Å; R225-M235 HydrophobicContact CB-SD 4.05Å; R225-M235 HydrophobicContact CG-SD 3.91Å; R225-G237 WeakPolarHBondContact CA-O 3.3Å; R225-K238 HydrophobicContact CG-CG 4.5Å |
| 226 | L | 95.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 127.8 | 176.8 | -57.1 | -178.8 | 0 | 0 | 0 | 110 | V215 V224 M235 Y236 G237 L239 F261 W263 F288 | V215-L226 WeakPolarHBondContact O-CA 3.49Å; V224-L226 HydrophobicContact CG1-CD2 4.49Å; L226-M235 WeakPolarHBondContact O-CA 3.42Å; L226-Y236 HydrophobicContact CB-CD1 4.27Å; L226-Y236 HydrophobicContact CB-CE1 3.68Å; L226-Y236 HydrophobicContact CB-CE2 3.96Å; L226-Y236 HydrophobicContact CD1-CE2 3.94Å; L226-Y236 WeakPolarHBondContact O-CD1 3.31Å; L226-Y236 PolarHBondContact O-N 2.94Å; L226-G237 PolarHBondContact N-O 3.21Å; L226-L239 HydrophobicContact CD1-CD1 4.04Å; L226-L239 HydrophobicContact CD1-CD2 4.39Å; L226-L239 HydrophobicContact CD1-CG 4.39Å; L226-L239 HydrophobicContact CD2-CD1 4.2Å; L226-L239 HydrophobicContact CG-CD1 4.09Å; L226-L239 HydrophobicContact CG-CG 4.41Å; L226-F261 HydrophobicContact CD2-CE2 3.86Å; L226-F261 HydrophobicContact CD2-CZ 3.69Å; L226-W263 HydrophobicContact CD2-CH2 4.03Å; L226-W263 HydrophobicContact CD2-CZ2 3.81Å; L226-F288 HydrophobicContact CD1-CD1 4.25Å; L226-F288 HydrophobicContact CD1-CE1 3.73Å |
| 227 | W | 94.8 | Very high | 91 | Very high | 7 Ų | 7 | 24.7 Ų | 24.7 | 3% | 0.027 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.4 | -175.3 | -49.2 | 88.3 | 0 | 0 | 0 | 110.1 | I175 L195 D197 R214 V215 S217 R225 N234 M235 | I175-W227 HydrophobicContact CD1-CZ2 4.33Å; L195-W227 HydrophobicContact CB-CD2 4.32Å; L195-W227 HydrophobicContact CB-CE3 3.95Å; L195-W227 HydrophobicContact CB-CH2 4.18Å; L195-W227 HydrophobicContact CB-CZ3 3.86Å; L195-W227 HydrophobicContact CD1-CB 4.21Å; L195-W227 HydrophobicContact CD1-CD2 4.05Å; L195-W227 HydrophobicContact CD1-CE3 4.21Å; L195-W227 HydrophobicContact CD1-CG 4.05Å; L195-W227 HydrophobicContact CG-CE3 4.48Å; D197-W227 HydrophobicContact CB-CH2 3.98Å; R214-W227 WeakPolarHBondContact CA-O 3.19Å; V215-W227 HydrophobicContact CB-CB 4.42Å; V215-W227 PolarHBondContact N-O 3.39Å; V215-W227 PolarHBondContact O-N 3.04Å; S217-W227 PolarHBondContact OG-NE1 2.81Å; R225-W227 HydrophobicContact CB-CZ2 4.04Å; W227-N234 WeakPolarHBondContact CA-O 3.29Å; W227-M235 HydrophobicContact CD2-CB 4.33Å; W227-M235 HydrophobicContact CE3-CB 3.68Å; W227-M235 HydrophobicContact CE3-CG 4.44Å; W227-M235 HydrophobicContact CH2-CB 4.27Å; W227-M235 HydrophobicContact CH2-SD 4.45Å; W227-M235 HydrophobicContact CZ3-CB 3.66Å; W227-M235 HydrophobicContact CZ3-CG 4.45Å |
| 228 | D | 92.2 | Very high | 90.9 | Very high | 1 Ų | 1 | 29.9 Ų | 29.9 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 104.4 | 174.8 | -174.1 | -13.8 | 0 | 0 | 0 | 109.1 | R145 W230 D231 G233 N234 Y236 | R145-D228 IonicContact NH1-OD2 2.9Å; D228-W230 VanDerWaalsContact C-N 3.26Å; D228-W230 PolarHBondContact O-N 3.41Å; D228-W230 WeakPolarHBondContact OD1-CB 3.5Å; D228-W230 PolarHBondContact OD1-N 3.06Å; D228-D231 HydrophobicContact CB-CB 4.27Å; D228-D231 CarbonylContact O-C 3.56Å; D228-D231 PolarHBondContact O-N 3.24Å; D228-D231 PolarHBondContact OD1-N 3.05Å; D228-G233 CarbonylContact O-C 3.59Å; D228-G233 WeakPolarHBondContact O-CA 3.41Å; D228-G233 PolarHBondContact O-N 2.97Å; D228-N234 PolarHBondContact N-O 2.97Å; D228-N234 PolarHBondContact O-N 3.33Å; D228-Y236 HydrophobicContact CB-CD1 3.83Å; D228-Y236 HydrophobicContact CB-CE1 4.09Å |
| 229 | L | 90.6 | Very high | 90.7 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -16.1 | -177.3 | -51.2 | 174.5 | 0 | 0 | 0 | 112.8 | L165 L167 V177 L195 L213 V215 | L165-L229 HydrophobicContact CD1-CB 4.46Å; L165-L229 HydrophobicContact CD1-CD1 3.63Å; L167-L229 HydrophobicContact CD1-CD1 4.37Å; L167-L229 HydrophobicContact CD2-CD1 4.17Å; V177-L229 HydrophobicContact CG2-CD2 4.41Å; L195-L229 HydrophobicContact CD1-CD2 3.89Å; L195-L229 HydrophobicContact CD2-CD2 4.35Å; L213-L229 HydrophobicContact CB-CB 3.97Å; L213-L229 HydrophobicContact CB-CD1 4.31Å; L213-L229 HydrophobicContact CB-CG 4.48Å; L213-L229 WeakPolarHBondContact O-CB 3.3Å; L213-L229 VanDerWaalsContact O-CG 3.3Å; L213-L229 WeakPolarHBondContact O-CG 3.33Å; L213-L229 PolarHBondContact O-N 3.33Å; L213-L229 VanDerWaalsContact O-N 3.14Å; V215-L229 HydrophobicContact CG2-CD1 3.78Å; V215-L229 HydrophobicContact CG2-CG 4.17Å |
| 230 | W | 87.8 | Confident | 90.3 | Very high | 2 Ų | 2 | 34.8 Ų | 34.8 | 1% | 0.008 | 17% | 0.166 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | -25.3 | 171.5 | -76.2 | 119.2 | 0 | 0 | 0 | 112.3 | S141 C144 V158 V163 L213 D228 | S141-W230 VanDerWaalsContact CA-CZ2 3.45Å; S141-W230 VanDerWaalsContact N-CZ2 3.27Å; C144-W230 HydrophobicContact CB-CB 4.49Å; C144-W230 HydrophobicContact CB-CD2 4.49Å; C144-W230 HydrophobicContact CB-CG 4.17Å; C144-W230 VanDerWaalsContact SG-CB 3.55Å; V158-W230 HydrophobicContact CB-CE3 3.9Å; V158-W230 HydrophobicContact CB-CH2 4.32Å; V158-W230 HydrophobicContact CB-CZ3 3.66Å; V158-W230 HydrophobicContact CG1-CD2 3.96Å; V158-W230 HydrophobicContact CG1-CE3 3.37Å; V158-W230 HydrophobicContact CG1-CH2 3.27Å; V158-W230 HydrophobicContact CG1-CZ2 3.86Å; V158-W230 HydrophobicContact CG1-CZ3 3.03Å; V158-W230 WeakPolarHBondContact O-CZ3 3.48Å; V163-W230 HydrophobicContact CG2-CH2 4.29Å; L213-W230 HydrophobicContact CB-CG 4.46Å; L213-W230 HydrophobicContact CD1-CD2 4.03Å; L213-W230 HydrophobicContact CD1-CG 4.36Å; L213-W230 HydrophobicContact CD1-CZ2 3.74Å; L213-W230 HydrophobicContact CG-CZ2 4.42Å; D228-W230 VanDerWaalsContact C-N 3.26Å; D228-W230 PolarHBondContact O-N 3.41Å; D228-W230 WeakPolarHBondContact OD1-CB 3.5Å; D228-W230 PolarHBondContact OD1-N 3.06Å |
| 231 | D | 86.9 | Confident | 89.8 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.8 | 53 | 170.5 | -170.2 | 33.1 | 0 | 0 | 0 | 110.5 | R149 R153 D228 G233 N234 | R149-D231 IonicContact NH1-OD2 2.95Å; R153-D231 WeakPolarHBondContact CD-OD1 3.33Å; R153-D231 IonicContact CZ-OD1 3.52Å; R153-D231 IonicContact NE-OD1 2.95Å; R153-D231 IonicContact NH1-OD1 2.71Å; R153-D231 PolarHBondContact NH1-OD1 3.23Å; R153-D231 IonicContact NH1-OD2 3.26Å; D228-D231 HydrophobicContact CB-CB 4.27Å; D228-D231 CarbonylContact O-C 3.56Å; D228-D231 PolarHBondContact O-N 3.24Å; D228-D231 PolarHBondContact OD1-N 3.05Å; D231-G233 PolarHBondContact O-N 3.25Å; D231-G233 VanDerWaalsContact O-N 3.12Å; D231-N234 HydrophobicContact CB-CB 4.37Å; D231-N234 WeakPolarHBondContact O-CB 3.5Å; D231-N234 PolarHBondContact O-N 3.2Å; D231-N234 PolarHBondContact OD2-ND2 3.14Å |
| 232 | D | 84.6 | Confident | 89.6 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 35% | 0.348 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 24.4 | 177.9 | -75 | -36.7 | 0 | 0 | 0 | 115.7 | R153 S155 Y193 N234 | R153-D232 WeakPolarHBondContact CB-OD2 3.46Å; R153-D232 VanDerWaalsContact O-OD2 3.13Å; S155-D232 WeakPolarHBondContact CB-OD1 3.21Å; S155-D232 PolarHBondContact N-OD1 2.9Å; Y193-D232 HydrophobicContact CE1-CB 4.33Å; Y193-D232 PolarHBondContact OH-OD1 2.75Å; D232-N234 VanDerWaalsContact C-N 3.31Å |
| 233 | G | 87.8 | Confident | 89.3 | Confident | 7 Ų | 7 | 35 Ų | 35 | 7% | 0.072 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.7 | 21.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | L195 D228 D231 | L195-G233 WeakPolarHBondContact CD2-O 3.31Å; D228-G233 CarbonylContact O-C 3.59Å; D228-G233 WeakPolarHBondContact O-CA 3.41Å; D228-G233 PolarHBondContact O-N 2.97Å; D231-G233 PolarHBondContact O-N 3.25Å; D231-G233 VanDerWaalsContact O-N 3.12Å |
| 234 | N | 90.2 | Very high | 88.9 | Confident | 71 Ų | 71 | 34 Ų | 34 | 38% | 0.38 | 16% | 0.159 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 139 | 178.3 | -174.2 | 30.4 | 0 | 0 | 0 | 111.7 | W227 D228 D231 D232 | W227-N234 WeakPolarHBondContact CA-O 3.29Å; D228-N234 PolarHBondContact N-O 2.97Å; D228-N234 PolarHBondContact O-N 3.33Å; D231-N234 HydrophobicContact CB-CB 4.37Å; D231-N234 WeakPolarHBondContact O-CB 3.5Å; D231-N234 PolarHBondContact O-N 3.2Å; D231-N234 PolarHBondContact OD2-ND2 3.14Å; D232-N234 VanDerWaalsContact C-N 3.31Å |
| 235 | M | 92.7 | Very high | 88.2 | Confident | 46 Ų | 46 | 34 Ų | 34 | 23% | 0.227 | 16% | 0.159 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 125.2 | 170.2 | -178 | 178.9 | 48.5 | 0 | 0 | 109.3 | D197 R225 L226 W227 K238 | D197-M235 HydrophobicContact CB-CE 4.2Å; D197-M235 HydrophobicContact CB-SD 4.46Å; D197-M235 VanDerWaalsContact CG-CE 3.45Å; D197-M235 WeakPolarHBondContact OD1-CE 3.36Å; D197-M235 WeakPolarHBondContact OD2-CE 3.35Å; R225-M235 HydrophobicContact CB-SD 4.05Å; R225-M235 HydrophobicContact CG-SD 3.91Å; L226-M235 WeakPolarHBondContact O-CA 3.42Å; W227-M235 HydrophobicContact CD2-CB 4.33Å; W227-M235 HydrophobicContact CE3-CB 3.68Å; W227-M235 HydrophobicContact CE3-CG 4.44Å; W227-M235 HydrophobicContact CH2-CB 4.27Å; W227-M235 HydrophobicContact CH2-SD 4.45Å; W227-M235 HydrophobicContact CZ3-CB 3.66Å; W227-M235 HydrophobicContact CZ3-CG 4.45Å; M235-K238 HydrophobicContact CE-CD 4.47Å; M235-K238 HydrophobicContact CE-CG 4.45Å; M235-K238 HydrophobicContact SD-CD 4.31Å; M235-K238 WeakPolarHBondContact SD-CE 3.44Å; M235-K238 HydrophobicContact SD-CG 3.81Å |
| 236 | Y | 93.1 | Very high | 87.5 | Confident | 39 Ų | 39 | 35.3 Ų | 35.3 | 15% | 0.153 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | -7.7 | -179.2 | 71.2 | -89.3 | 0 | 0 | 0 | 113.9 | R214 L226 D228 W263 A284 F288 | R214-Y236 WeakPolarHBondContact CD-OH 3.31Å; R214-Y236 HydrophobicContact CG-CE1 4.44Å; L226-Y236 HydrophobicContact CB-CD1 4.27Å; L226-Y236 HydrophobicContact CB-CE1 3.68Å; L226-Y236 HydrophobicContact CB-CE2 3.96Å; L226-Y236 HydrophobicContact CD1-CE2 3.94Å; L226-Y236 WeakPolarHBondContact O-CD1 3.31Å; L226-Y236 PolarHBondContact O-N 2.94Å; D228-Y236 HydrophobicContact CB-CD1 3.83Å; D228-Y236 HydrophobicContact CB-CE1 4.09Å; Y236-W263 WeakPolarHBondContact OH-CH2 3.47Å; Y236-A284 WeakPolarHBondContact CE2-O 3.27Å; Y236-F288 HydrophobicContact CD2-CE1 4.38Å; Y236-F288 HydrophobicContact CD2-CZ 4.15Å; Y236-F288 HydrophobicContact CE2-CE1 4.11Å; Y236-F288 HydrophobicContact CE2-CZ 4.35Å |
| 237 | G | 91.8 | Very high | 86.4 | Confident | 6 Ų | 6 | 37.3 Ų | 37.3 | 6% | 0.062 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 138 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R225 L226 | R225-G237 WeakPolarHBondContact CA-O 3.3Å; L226-G237 PolarHBondContact N-O 3.21Å |
| 238 | K | 92.3 | Very high | 85.4 | Confident | 110 Ų | 110 | 43.3 Ų | 43.3 | 48% | 0.478 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 123.2 | 165.4 | -64.3 | -171 | -179.1 | -168.4 | 0 | 108.4 | D197 R225 M235 | D197-K238 IonicContact OD1-NZ 3.39Å; D197-K238 PolarHBondContact OD1-NZ 3.02Å; D197-K238 WeakPolarHBondContact OD2-CE 3.33Å; D197-K238 IonicContact OD2-NZ 2.81Å; D197-K238 PolarHBondContact OD2-NZ 3.4Å; R225-K238 HydrophobicContact CG-CG 4.5Å; M235-K238 HydrophobicContact CE-CD 4.47Å; M235-K238 HydrophobicContact CE-CG 4.45Å; M235-K238 HydrophobicContact SD-CD 4.31Å; M235-K238 WeakPolarHBondContact SD-CE 3.44Å; M235-K238 HydrophobicContact SD-CG 3.81Å |
| 239 | L | 90.6 | Very high | 84.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 1% | 0.005 | 24% | 0.244 | C | C | . | . | trans | -103.2 | 5.9 | -170.1 | -57 | 178.4 | 0 | 0 | 0 | 114.6 | V224 L226 H241 K242 F243 V270 L272 L282 F288 | V224-L239 HydrophobicContact CB-CB 4.25Å; V224-L239 HydrophobicContact CB-CD1 4.42Å; V224-L239 HydrophobicContact CG1-CD1 4.11Å; V224-L239 PolarHBondContact O-N 3.23Å; L226-L239 HydrophobicContact CD1-CD1 4.04Å; L226-L239 HydrophobicContact CD1-CD2 4.39Å; L226-L239 HydrophobicContact CD1-CG 4.39Å; L226-L239 HydrophobicContact CD2-CD1 4.2Å; L226-L239 HydrophobicContact CG-CD1 4.09Å; L226-L239 HydrophobicContact CG-CG 4.41Å; L239-H241 PolarHBondContact O-N 3.39Å; L239-K242 WeakPolarHBondContact O-CB 3.44Å; L239-K242 PolarHBondContact O-N 3.09Å; L239-F243 PolarHBondContact O-N 2.97Å; L239-V270 HydrophobicContact CD1-CG2 4.19Å; L239-L272 HydrophobicContact CB-CD1 4.02Å; L239-L272 HydrophobicContact CD1-CD1 3.98Å; L239-L282 HydrophobicContact CB-CD1 4.42Å; L239-L282 HydrophobicContact CD1-CD1 4.27Å; L239-L282 HydrophobicContact CD2-CD1 4.13Å; L239-F288 HydrophobicContact CD2-CB 3.84Å; L239-F288 HydrophobicContact CD2-CD1 3.67Å; L239-F288 HydrophobicContact CD2-CD2 4.23Å; L239-F288 HydrophobicContact CD2-CE1 4.27Å; L239-F288 HydrophobicContact CD2-CG 3.65Å | ||
| 240 | R | 82.7 | Confident | 83.1 | Confident | 104 Ų | 104 | 55.7 Ų | 55.7 | 39% | 0.392 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -52.2 | -51.1 | -176 | -170 | -172.6 | -173.8 | 167.8 | -9.8 | 113 | E223 K242 | E223-R240 HydrophobicContact CG-CB 4.29Å; E223-R240 HydrophobicContact CG-CG 4.12Å; E223-R240 WeakPolarHBondContact OE1-CD 3.41Å; E223-R240 IonicContact OE1-CZ 3.81Å; E223-R240 IonicContact OE1-NE 4Å; E223-R240 IonicContact OE1-NH1 2.99Å; E223-R240 PolarHBondContact OE1-NH1 2.81Å; R240-K242 PolarHBondContact O-N 2.95Å |
| 241 | H | 79 | Confident | 81.9 | Confident | 145 Ų | 145 | 62.4 Ų | 62.4 | 67% | 0.671 | 33% | 0.327 | S | S | * | . | G | 310 helix | trans | -78.4 | -5.3 | -178.8 | -60.9 | -71.9 | 0 | 0 | 0 | 113.9 | L239 | L239-H241 PolarHBondContact O-N 3.39Š|
| 242 | K | 82 | Confident | 81.2 | Confident | 82 Ų | 82 | 64.2 Ų | 64.2 | 36% | 0.357 | 34% | 0.339 | S | S | . | . | G | 310 helix | trans | -94.6 | -16.8 | 178.8 | -61.2 | -64.2 | -174.2 | 171.1 | 0 | 112.2 | L239 R240 T244 L282 P287 F288 | L239-K242 WeakPolarHBondContact O-CB 3.44Å; L239-K242 PolarHBondContact O-N 3.09Å; R240-K242 PolarHBondContact O-N 2.95Å; K242-T244 PolarHBondContact O-N 3.03Å; K242-L282 HydrophobicContact CB-CD1 3.61Å; K242-L282 HydrophobicContact CB-CD2 4.41Å; K242-P287 WeakPolarHBondContact CE-O 3.39Å; K242-P287 PolarHBondContact NZ-O 3.07Å; K242-P287 VanDerWaalsContact NZ-O 3.16Å; K242-F288 HydrophobicContact CG-CB 4.29Å |
| 243 | F | 82.1 | Confident | 80.7 | Confident | 3 Ų | 3 | 66 Ų | 66 | 1% | 0.013 | 35% | 0.346 | C | S | . | . | trans | -81.5 | 66.4 | 172.4 | -169.1 | -144.3 | 0 | 0 | 0 | 110.8 | L239 I245 G256 E257 A258 L272 V280 | L239-F243 PolarHBondContact O-N 2.97Å; F243-I245 HydrophobicContact CE2-CD1 4.37Å; F243-G256 VanDerWaalsContact CD1-CA 3.45Å; F243-G256 VanDerWaalsContact CD1-O 3.23Å; F243-G256 WeakPolarHBondContact CD1-O 3.41Å; F243-G256 VanDerWaalsContact CE1-C 3.48Å; F243-G256 VanDerWaalsContact CE1-CA 3.48Å; F243-G256 PolarHBondContact O-N 2.95Å; F243-E257 VanDerWaalsContact CE1-C 3.49Å; F243-E257 WeakPolarHBondContact CE1-O 3.26Å; F243-A258 HydrophobicContact CD1-CB 4.25Å; F243-L272 HydrophobicContact CB-CD1 4.42Å; F243-L272 HydrophobicContact CD2-CB 4.21Å; F243-L272 HydrophobicContact CE2-CB 4.49Å; F243-V280 HydrophobicContact CD2-CB 3.77Å; F243-V280 HydrophobicContact CD2-CG2 3.56Å; F243-V280 HydrophobicContact CE2-CB 4Å; F243-V280 HydrophobicContact CE2-CG2 3.66Å | ||
| 244 | T | 82.1 | Confident | 80.1 | Confident | 18 Ų | 18 | 68 Ų | 68 | 11% | 0.11 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.6 | 174 | 54 | 0 | 0 | 0 | 0 | 109.8 | K242 E253 I254 R290 | K242-T244 PolarHBondContact O-N 3.03Å; T244-E253 WeakPolarHBondContact CB-OE2 3.07Å; T244-E253 HydrophobicContact CG2-CB 4.44Å; T244-E253 PolarHBondContact OG1-OE2 2.92Å; T244-I254 WeakPolarHBondContact CA-O 3.46Å; T244-R290 PolarHBondContact O-NE 2.98Å; T244-R290 PolarHBondContact O-NH2 2.59Å; T244-R290 PolarHBondContact OG1-NH2 2.81Å |
| 245 | I | 79.8 | Confident | 79.6 | Confident | 1 Ų | 1 | 69.9 Ų | 69.9 | 1% | 0.005 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 128.9 | -178.5 | -61.3 | 139.9 | 0 | 0 | 0 | 107.9 | F243 E253 I254 H278 V280 | F243-I245 HydrophobicContact CE2-CD1 4.37Å; I245-E253 WeakPolarHBondContact O-CA 3.15Å; I245-I254 HydrophobicContact CB-CB 4.45Å; I245-I254 PolarHBondContact N-O 2.75Å; I245-I254 PolarHBondContact O-N 2.97Å; I245-H278 HydrophobicContact CD1-CB 3.24Å; I245-H278 HydrophobicContact CG1-CB 4.17Å; I245-V280 HydrophobicContact CG1-CG2 3.89Å |
| 246 | P | 77.9 | Confident | 79 | Confident | 30 Ų | 30 | 68.3 Ų | 68.3 | 20% | 0.195 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | 136.8 | 178.1 | 27.8 | -29.9 | 0 | 0 | 0 | 109.6 | Y293 | P246-Y293 HydrophobicContact CG-CD1 4.1Å; P246-Y293 HydrophobicContact CG-CD2 4.34Å; P246-Y293 HydrophobicContact CG-CE1 3.83Å; P246-Y293 HydrophobicContact CG-CE2 4.08Å; P246-Y293 HydrophobicContact CG-CG 4.36Å |
| 247 | T | 73.6 | Confident | 78.7 | Confident | 42 Ų | 42 | 71 Ų | 71 | 26% | 0.258 | 37% | 0.37 | S | S | . | . | trans | -99.2 | 164.7 | 173.7 | 66.3 | 0 | 0 | 0 | 0 | 110.9 | Q249 S252 I254 | T247-Q249 PolarHBondContact O-N 2.55Å; T247-Q249 PolarHBondContact OG1-O 2.81Å; T247-Q249 VanDerWaalsContact OG1-O 3.08Å; T247-S252 WeakPolarHBondContact CB-O 3.33Å; T247-S252 WeakPolarHBondContact CG2-O 3.24Å; T247-S252 PolarHBondContact N-O 3.3Å; T247-S252 WeakPolarHBondContact OG1-CB 3.42Å; T247-S252 PolarHBondContact OG1-O 2.91Å; T247-S252 PolarHBondContact OG1-OG 3.33Å; T247-I254 HydrophobicContact CG2-CD1 3.69Å; T247-I254 HydrophobicContact CG2-CG1 3.54Å | ||
| 248 | D | 73.8 | Confident | 78.7 | Confident | 132 Ų | 132 | 70.8 Ų | 70.8 | 71% | 0.706 | 37% | 0.368 | S | S | * | . | S | Bend | trans | -68 | -15.1 | 175.5 | -57 | -46.3 | 0 | 0 | 0 | 112 | R295 | D248-R295 VanDerWaalsContact CG-NH1 3.28Å; D248-R295 IonicContact OD1-CZ 3.42Å; D248-R295 IonicContact OD1-NH1 3.22Å; D248-R295 PolarHBondContact OD1-NH1 2.83Å; D248-R295 VanDerWaalsContact OD1-NH1 3.09Å; D248-R295 IonicContact OD1-NH2 3.85Å; D248-R295 PolarHBondContact OD1-NH2 3.1Å; D248-R295 IonicContact OD2-CZ 3.36Å; D248-R295 IonicContact OD2-NH1 3.09Å; D248-R295 PolarHBondContact OD2-NH1 3.16Å; D248-R295 IonicContact OD2-NH2 3.79Å |
| 249 | Q | 72 | Confident | 78.6 | Confident | 141 Ų | 141 | 65.9 Ų | 65.9 | 66% | 0.659 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -87 | 130.4 | 172.1 | -76.5 | 179.5 | -0.3 | 0 | 0 | 110.2 | T247 C251 S252 | T247-Q249 PolarHBondContact O-N 2.55Å; T247-Q249 PolarHBondContact OG1-O 2.81Å; T247-Q249 VanDerWaalsContact OG1-O 3.08Å; Q249-C251 PolarHBondContact O-N 2.82Å; Q249-S252 WeakPolarHBondContact CB-OG 3.19Å; Q249-S252 PolarHBondContact O-N 2.86Å; Q249-S252 PolarHBondContact O-OG 2.71Å |
| 250 | P | 61.6 | Low | 78.8 | Confident | 121 Ų | 121 | 66 Ų | 66 | 79% | 0.786 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 138 | 179.1 | 24.7 | -32.2 | 0 | 0 | 0 | 110.8 | S252 | P250-S252 VanDerWaalsContact C-N 3.27Å; P250-S252 PolarHBondContact O-N 2.89Å |
| 251 | C | 63.7 | Low | 79.4 | Confident | 143 Ų | 143 | 61.2 Ų | 61.2 | 97% | 0.966 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.2 | -0.3 | 178.1 | -56.1 | 0 | 0 | 0 | 0 | 117.6 | Q249 | Q249-C251 PolarHBondContact O-N 2.82Š|
| 252 | S | 71.1 | Confident | 80.2 | Confident | 41 Ų | 41 | 54.5 Ų | 54.5 | 29% | 0.287 | 30% | 0.3 | S | S | . | . | trans | -96.6 | 123.5 | 168.5 | 42.4 | 0 | 0 | 0 | 0 | 111.2 | T247 Q249 P250 | T247-S252 WeakPolarHBondContact CB-O 3.33Å; T247-S252 WeakPolarHBondContact CG2-O 3.24Å; T247-S252 PolarHBondContact N-O 3.3Å; T247-S252 WeakPolarHBondContact OG1-CB 3.42Å; T247-S252 PolarHBondContact OG1-O 2.91Å; T247-S252 PolarHBondContact OG1-OG 3.33Å; Q249-S252 WeakPolarHBondContact CB-OG 3.19Å; Q249-S252 PolarHBondContact O-N 2.86Å; Q249-S252 PolarHBondContact O-OG 2.71Å; P250-S252 VanDerWaalsContact C-N 3.27Å; P250-S252 PolarHBondContact O-N 2.89Å | ||
| 253 | E | 75.3 | Confident | 80.9 | Confident | 103 Ų | 103 | 51 Ų | 51 | 48% | 0.481 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 137.2 | 169.3 | -61.7 | -163.1 | 132.1 | 0 | 0 | 109.8 | T244 I245 Q255 R290 | T244-E253 WeakPolarHBondContact CB-OE2 3.07Å; T244-E253 HydrophobicContact CG2-CB 4.44Å; T244-E253 PolarHBondContact OG1-OE2 2.92Å; I245-E253 WeakPolarHBondContact O-CA 3.15Å; E253-Q255 PolarHBondContact O-N 2.8Å; E253-R290 IonicContact OE1-CZ 2.74Å; E253-R290 IonicContact OE1-NH1 2.63Å; E253-R290 IonicContact OE1-NH2 3.04Å; E253-R290 PolarHBondContact OE1-NH2 2.66Å; E253-R290 IonicContact OE2-NH2 3.58Å |
| 254 | I | 75.3 | Confident | 81.5 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 115.7 | 171 | -64.8 | 160.9 | 0 | 0 | 0 | 107.3 | T244 I245 T247 G256 | T244-I254 WeakPolarHBondContact CA-O 3.46Å; I245-I254 HydrophobicContact CB-CB 4.45Å; I245-I254 PolarHBondContact N-O 2.75Å; I245-I254 PolarHBondContact O-N 2.97Å; T247-I254 HydrophobicContact CG2-CD1 3.69Å; T247-I254 HydrophobicContact CG2-CG1 3.54Å; I254-G256 PolarHBondContact O-N 2.96Å |
| 255 | Q | 80.2 | Confident | 82 | Confident | 111 Ų | 111 | 50.1 Ų | 50.1 | 52% | 0.519 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 118.1 | 167.5 | -170.7 | 173.3 | -0.7 | 0 | 0 | 108.9 | E253 | E253-Q255 PolarHBondContact O-N 2.8Å |
| 256 | G | 78.9 | Confident | 82.5 | Confident | 12 Ų | 12 | 51.8 Ų | 51.8 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | trans | -93 | 154.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | F243 I254 | F243-G256 VanDerWaalsContact CD1-CA 3.45Å; F243-G256 VanDerWaalsContact CD1-O 3.23Å; F243-G256 WeakPolarHBondContact CD1-O 3.41Å; F243-G256 VanDerWaalsContact CE1-C 3.48Å; F243-G256 VanDerWaalsContact CE1-CA 3.48Å; F243-G256 PolarHBondContact O-N 2.95Å; I254-G256 PolarHBondContact O-N 2.96Å | ||
| 257 | E | 87.2 | Confident | 82.9 | Confident | 96 Ų | 96 | 50.3 Ų | 50.3 | 45% | 0.449 | 28% | 0.277 | S | S | . | . | trans | -104.8 | 120.9 | 164.8 | -69.1 | -174.4 | -170.8 | 0 | 0 | 109 | F243 C259 G274 | F243-E257 VanDerWaalsContact CE1-C 3.49Å; F243-E257 WeakPolarHBondContact CE1-O 3.26Å; E257-C259 PolarHBondContact O-N 2.77Å; E257-G274 WeakPolarHBondContact O-CA 3.43Å | ||
| 258 | A | 91.4 | Very high | 83.7 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 118 | -178.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y203 V218 G222 V224 F243 L272 A273 | Y203-A258 PolarHBondContact OH-O 3.17Å; V218-A258 HydrophobicContact CG1-CB 4.42Å; V218-A258 WeakPolarHBondContact CG1-O 3.46Å; G222-A258 WeakPolarHBondContact CA-O 3.28Å; G222-A258 PolarHBondContact O-N 3.45Å; V224-A258 HydrophobicContact CG2-CB 3.52Å; F243-A258 HydrophobicContact CD1-CB 4.25Å; A258-L272 HydrophobicContact CB-CD2 4.02Å; A258-A273 CarbonylContact C-O 3.51Å; A258-A273 WeakPolarHBondContact CA-O 3.49Å |
| 259 | C | 91.3 | Very high | 84.5 | Confident | 7 Ų | 7 | 47 Ų | 47 | 5% | 0.047 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | -27.7 | 171.4 | -73.1 | 0 | 0 | 0 | 0 | 112.5 | Y203 E257 A273 E275 R301 I302 | Y203-C259 WeakPolarHBondContact CE2-O 2.97Å; Y203-C259 WeakPolarHBondContact OH-CA 3.42Å; Y203-C259 PolarHBondContact OH-O 3.4Å; E257-C259 PolarHBondContact O-N 2.77Å; C259-A273 WeakPolarHBondContact CA-O 3.44Å; C259-A273 PolarHBondContact N-O 2.81Å; C259-E275 WeakPolarHBondContact SG-CG 3.02Å; C259-R301 HydrophobicContact CB-CG 3.99Å; C259-R301 PolarHBondContact SG-NH1 3.17Å; C259-I302 VanDerWaalsContact CB-O 3.31Å; C259-I302 WeakPolarHBondContact CB-O 3.39Å |
| 260 | T | 93.2 | Very high | 85.6 | Confident | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.018 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 158.7 | -178.2 | -162.4 | 0 | 0 | 0 | 0 | 110.8 | A273 I302 S303 A305 | T260-A273 HydrophobicContact CG2-CB 3.71Å; T260-A273 PolarHBondContact N-O 2.9Å; T260-A273 VanDerWaalsContact N-O 3.09Å; T260-A273 PolarHBondContact O-N 3.21Å; T260-I302 HydrophobicContact CG2-CB 4.45Å; T260-I302 HydrophobicContact CG2-CG2 3.76Å; T260-S303 PolarHBondContact OG1-O 2.74Å; T260-A305 HydrophobicContact CG2-CB 3.81Å; T260-A305 PolarHBondContact OG1-N 3.04Å |
| 261 | F | 95.2 | Very high | 87.3 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.018 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.1 | 135.3 | -176.8 | 170.9 | -94.1 | 0 | 0 | 0 | 110.7 | L204 G216 V218 V224 L226 W263 V270 F271 L272 | L204-F261 HydrophobicContact CD2-CB 4.34Å; G216-F261 VanDerWaalsContact CA-CE1 3.47Å; V218-F261 HydrophobicContact CG2-CB 3.34Å; V218-F261 HydrophobicContact CG2-CG 4.29Å; V224-F261 HydrophobicContact CG1-CD2 3.66Å; V224-F261 HydrophobicContact CG1-CE2 3.95Å; V224-F261 HydrophobicContact CG1-CG 4.15Å; L226-F261 HydrophobicContact CD2-CE2 3.86Å; L226-F261 HydrophobicContact CD2-CZ 3.69Å; F261-W263 AromaticContact CE1-CD1 3.49Å; F261-W263 VanDerWaalsContact CE1-CD1 3.49Å; F261-W263 HydrophobicContact CE1-CD2 4.23Å; F261-W263 AromaticContact CE1-CE2 3.73Å; F261-W263 HydrophobicContact CE1-CG 4.07Å; F261-W263 HydrophobicContact CE1-CZ2 4.36Å; F261-W263 AromaticContact CE1-NE1 3.29Å; F261-W263 VanDerWaalsContact CE1-NE1 3.29Å; F261-W263 AromaticContact CZ-CD2 3.98Å; F261-W263 HydrophobicContact CZ-CD2 3.98Å; F261-W263 AromaticContact CZ-CE2 3.54Å; F261-W263 HydrophobicContact CZ-CG 4.24Å; F261-W263 AromaticContact CZ-CZ2 3.85Å; F261-W263 HydrophobicContact CZ-CZ2 3.85Å; F261-W263 AromaticContact CZ-NE1 3.64Å; F261-V270 HydrophobicContact CD2-CB 4.39Å; F261-V270 HydrophobicContact CE2-CB 3.55Å; F261-V270 HydrophobicContact CE2-CG1 3.64Å; F261-V270 HydrophobicContact CE2-CG2 4.12Å; F261-V270 HydrophobicContact CZ-CB 4.05Å; F261-V270 HydrophobicContact CZ-CG1 3.63Å; F261-F271 WeakPolarHBondContact CA-O 3.29Å; F261-L272 HydrophobicContact CB-CD2 4.26Å; F261-L272 HydrophobicContact CD2-CD2 3.57Å; F261-L272 HydrophobicContact CD2-CG 4.39Å; F261-L272 HydrophobicContact CE2-CD2 4.46Å; F261-L272 HydrophobicContact CG-CD2 4.38Å |
| 262 | A | 96.2 | Very high | 88.7 | Confident | 4 Ų | 4 | 27.8 Ų | 27.8 | 3% | 0.033 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 132.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | V270 F271 A305 F307 | A262-V270 WeakPolarHBondContact O-CA 3.33Å; A262-F271 HydrophobicContact CB-CB 4.42Å; A262-F271 PolarHBondContact N-O 2.69Å; A262-F271 PolarHBondContact O-N 3.22Å; A262-A305 HydrophobicContact CB-CB 4.16Å; A262-A305 WeakPolarHBondContact CB-O 3.08Å; A262-F307 HydrophobicContact CB-CD2 3.97Å; A262-F307 HydrophobicContact CB-CE2 4.13Å |
| 263 | W | 96.4 | Very high | 89.8 | Confident | 9 Ų | 9 | 25.8 Ų | 25.8 | 3% | 0.034 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 133 | 168 | -74.4 | 104.1 | 0 | 0 | 0 | 110.4 | S206 A208 R214 L226 Y236 F261 G267 V270 A284 F307 | S206-W263 VanDerWaalsContact O-CD1 3.25Å; S206-W263 PolarHBondContact O-NE1 2.75Å; A208-W263 HydrophobicContact CB-CB 4.47Å; A208-W263 HydrophobicContact CB-CD2 3.82Å; A208-W263 HydrophobicContact CB-CE3 4.1Å; A208-W263 HydrophobicContact CB-CG 3.97Å; R214-W263 HydrophobicContact CB-CH2 3.89Å; R214-W263 HydrophobicContact CB-CZ2 3.87Å; L226-W263 HydrophobicContact CD2-CH2 4.03Å; L226-W263 HydrophobicContact CD2-CZ2 3.81Å; Y236-W263 WeakPolarHBondContact OH-CH2 3.47Å; F261-W263 AromaticContact CE1-CD1 3.49Å; F261-W263 VanDerWaalsContact CE1-CD1 3.49Å; F261-W263 HydrophobicContact CE1-CD2 4.23Å; F261-W263 AromaticContact CE1-CE2 3.73Å; F261-W263 HydrophobicContact CE1-CG 4.07Å; F261-W263 HydrophobicContact CE1-CZ2 4.36Å; F261-W263 AromaticContact CE1-NE1 3.29Å; F261-W263 VanDerWaalsContact CE1-NE1 3.29Å; F261-W263 AromaticContact CZ-CD2 3.98Å; F261-W263 HydrophobicContact CZ-CD2 3.98Å; F261-W263 AromaticContact CZ-CE2 3.54Å; F261-W263 HydrophobicContact CZ-CG 4.24Å; F261-W263 AromaticContact CZ-CZ2 3.85Å; F261-W263 HydrophobicContact CZ-CZ2 3.85Å; F261-W263 AromaticContact CZ-NE1 3.64Å; W263-G267 WeakPolarHBondContact CZ3-O 3.46Å; W263-V270 HydrophobicContact CD2-CG1 3.88Å; W263-V270 HydrophobicContact CE3-CG1 3.38Å; W263-V270 HydrophobicContact CH2-CG1 3.88Å; W263-V270 HydrophobicContact CZ2-CG1 4.37Å; W263-V270 HydrophobicContact CZ3-CG1 3.39Å; W263-A284 HydrophobicContact CH2-CB 4.22Å; W263-A284 HydrophobicContact CZ3-CB 3.64Å; W263-F307 WeakPolarHBondContact O-CD2 3.31Å |
| 264 | H | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 10% | 0.1 | C | C | . | . | trans | -64.2 | 143.1 | 161.6 | -165.8 | -89.1 | 0 | 0 | 0 | 109.1 | F266 G267 H269 F307 G311 | H264-F266 AromaticContact CE1-CD2 3.2Å; H264-F266 WeakPolarHBondContact CE1-CD2 3.37Å; H264-F266 AromaticContact CE1-CE2 3.51Å; H264-F266 AromaticContact CE1-CG 3.92Å; H264-F266 AromaticContact ND1-CD2 3.4Å; H264-F266 WeakPolarHBondContact ND1-CD2 3.42Å; H264-F266 AromaticContact ND1-CG 3.72Å; H264-F266 PolarHBondContact ND1-N 3.22Å; H264-F266 PolarHBondContact O-N 2.75Å; H264-G267 WeakPolarHBondContact O-CA 3.45Å; H264-G267 PolarHBondContact O-N 2.86Å; H264-H269 HydrophobicContact CB-CB 3.92Å; H264-H269 WeakPolarHBondContact CB-O 3.27Å; H264-H269 PolarHBondContact N-O 2.87Å; H264-F307 HydrophobicContact CB-CD2 4.45Å; H264-F307 HydrophobicContact CB-CE2 4.38Å; H264-F307 AromaticContact CD2-CD1 3.66Å; H264-F307 AromaticContact CD2-CE1 3.65Å; H264-G311 PolarHBondContact NE2-O 3.42Å; H264-G311 VanDerWaalsContact NE2-O 3.15Å | ||
| 265 | P | 92.8 | Very high | 91 | Very high | 2 Ų | 2 | 22.9 Ų | 22.9 | 1% | 0.013 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -17.1 | -177.6 | 22.6 | -36.2 | 0 | 0 | 0 | 115.1 | G311 | P265-G311 VanDerWaalsContact CG-CA 3.43Š|
| 266 | F | 89.5 | Confident | 91.3 | Very high | 35 Ų | 35 | 25.8 Ų | 25.8 | 15% | 0.154 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.6 | -1.7 | 172.9 | -55.4 | -38.8 | 0 | 0 | 0 | 114 | H264 R268 R449 V452 E453 L456 | H264-F266 AromaticContact CE1-CD2 3.2Å; H264-F266 WeakPolarHBondContact CE1-CD2 3.37Å; H264-F266 AromaticContact CE1-CE2 3.51Å; H264-F266 AromaticContact CE1-CG 3.92Å; H264-F266 AromaticContact ND1-CD2 3.4Å; H264-F266 WeakPolarHBondContact ND1-CD2 3.42Å; H264-F266 AromaticContact ND1-CG 3.72Å; H264-F266 PolarHBondContact ND1-N 3.22Å; H264-F266 PolarHBondContact O-N 2.75Å; F266-R268 PolarHBondContact O-N 3.38Å; F266-R449 HydrophobicContact CE1-CG 3.33Å; F266-R449 HydrophobicContact CZ-CB 4.48Å; F266-R449 HydrophobicContact CZ-CG 3.55Å; F266-R449 VanDerWaalsContact CZ-O 3.31Å; F266-R449 WeakPolarHBondContact CZ-O 3.11Å; F266-V452 HydrophobicContact CE2-CB 4.34Å; F266-V452 HydrophobicContact CE2-CG1 4.04Å; F266-E453 HydrophobicContact CD2-CB 4.24Å; F266-E453 HydrophobicContact CD2-CG 4.33Å; F266-E453 HydrophobicContact CE1-CB 4.21Å; F266-E453 HydrophobicContact CE2-CB 3.68Å; F266-E453 HydrophobicContact CE2-CG 4.26Å; F266-E453 HydrophobicContact CZ-CB 3.7Å; F266-E453 HydrophobicContact CZ-CG 4.4Å; F266-L456 HydrophobicContact CD2-CD1 3.79Å; F266-L456 HydrophobicContact CE2-CD1 3.98Å |
| 267 | G | 87.8 | Confident | 91.8 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 11% | 0.108 | C | C | . | . | S | Bend | trans | 65.6 | -6 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | D210 R214 W263 H264 A284 | D210-G267 WeakPolarHBondContact OD2-CA 3.49Å; R214-G267 PolarHBondContact NH1-O 2.94Å; R214-G267 PolarHBondContact NH2-O 2.86Å; W263-G267 WeakPolarHBondContact CZ3-O 3.46Å; H264-G267 WeakPolarHBondContact O-CA 3.45Å; H264-G267 PolarHBondContact O-N 2.86Å; G267-A284 WeakPolarHBondContact O-CB 3.27Å |
| 268 | R | 88.9 | Confident | 92 | Very high | 100 Ų | 100 | 21.8 Ų | 21.8 | 38% | 0.377 | 9% | 0.092 | S | C | . | . | S | Bend | trans | -79.2 | -28.1 | 179.4 | -168.6 | 178.1 | 177 | 161.4 | 0.6 | 113.3 | F266 D283 A284 I460 | F266-R268 PolarHBondContact O-N 3.38Å; R268-D283 IonicContact NE-OD2 3.97Å; R268-A284 VanDerWaalsContact O-CB 3.29Å; R268-A284 WeakPolarHBondContact O-CB 3.47Å; R268-A284 PolarHBondContact O-N 3.16Å; R268-I460 VanDerWaalsContact CZ-CD1 3.5Å |
| 269 | H | 92.2 | Very high | 92.1 | Very high | 3 Ų | 3 | 21.7 Ų | 21.7 | 1% | 0.014 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 147.3 | -174.4 | -53.5 | -38.5 | 0 | 0 | 0 | 110.2 | H264 V281 L282 I291 | H264-H269 HydrophobicContact CB-CB 3.92Å; H264-H269 WeakPolarHBondContact CB-O 3.27Å; H264-H269 PolarHBondContact N-O 2.87Å; H269-V281 HydrophobicContact CB-CG1 4.31Å; H269-L282 WeakPolarHBondContact CA-O 3.36Å; H269-I291 HydrophobicContact CB-CD1 4.45Å; H269-I291 WeakPolarHBondContact CE1-CD1 3.1Å; H269-I291 WeakPolarHBondContact ND1-CD1 3.44Å |
| 270 | V | 95.2 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 9% | 0.089 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 143.9 | 175 | -65.4 | 0 | 0 | 0 | 0 | 109.6 | L239 F261 A262 W263 V281 L282 A284 | L239-V270 HydrophobicContact CD1-CG2 4.19Å; F261-V270 HydrophobicContact CD2-CB 4.39Å; F261-V270 HydrophobicContact CE2-CB 3.55Å; F261-V270 HydrophobicContact CE2-CG1 3.64Å; F261-V270 HydrophobicContact CE2-CG2 4.12Å; F261-V270 HydrophobicContact CZ-CB 4.05Å; F261-V270 HydrophobicContact CZ-CG1 3.63Å; A262-V270 WeakPolarHBondContact O-CA 3.33Å; W263-V270 HydrophobicContact CD2-CG1 3.88Å; W263-V270 HydrophobicContact CE3-CG1 3.38Å; W263-V270 HydrophobicContact CH2-CG1 3.88Å; W263-V270 HydrophobicContact CZ2-CG1 4.37Å; W263-V270 HydrophobicContact CZ3-CG1 3.39Å; V270-V281 CarbonylContact O-C 3.58Å; V270-V281 WeakPolarHBondContact O-CA 3.36Å; V270-L282 HydrophobicContact CG2-CB 3.92Å; V270-L282 PolarHBondContact N-O 3.09Å; V270-L282 PolarHBondContact O-N 2.85Å; V270-A284 HydrophobicContact CG1-CB 4.15Å |
| 271 | F | 95.6 | Very high | 92.1 | Very high | 1 Ų | 1 | 21.2 Ų | 21.2 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 133.3 | 173.2 | 178.5 | -104.3 | 0 | 0 | 0 | 109.9 | F261 A262 A273 V280 V281 I294 A305 F307 L314 T316 | F261-F271 WeakPolarHBondContact CA-O 3.29Å; A262-F271 HydrophobicContact CB-CB 4.42Å; A262-F271 PolarHBondContact N-O 2.69Å; A262-F271 PolarHBondContact O-N 3.22Å; F271-A273 HydrophobicContact CD1-CB 4.38Å; F271-A273 HydrophobicContact CE1-CB 3.46Å; F271-A273 VanDerWaalsContact CE1-CB 3.46Å; F271-A273 HydrophobicContact CZ-CB 3.67Å; F271-V280 WeakPolarHBondContact CA-O 3.38Å; F271-V281 HydrophobicContact CD2-CG2 3.79Å; F271-I294 HydrophobicContact CE2-CD1 3.76Å; F271-I294 HydrophobicContact CE2-CG1 4.4Å; F271-I294 HydrophobicContact CZ-CD1 4.18Å; F271-A305 HydrophobicContact CD1-CB 3.45Å; F271-A305 VanDerWaalsContact CD1-CB 3.45Å; F271-A305 HydrophobicContact CE1-CB 3.53Å; F271-F307 HydrophobicContact CB-CE2 3.57Å; F271-F307 HydrophobicContact CB-CZ 3.77Å; F271-L314 HydrophobicContact CD1-CD1 4.09Å; F271-L314 HydrophobicContact CD1-CD2 4.17Å; F271-L314 HydrophobicContact CD2-CD2 3.76Å; F271-L314 HydrophobicContact CE1-CD1 4.47Å; F271-L314 HydrophobicContact CE1-CD2 4.12Å; F271-L314 HydrophobicContact CE2-CD2 3.72Å; F271-L314 HydrophobicContact CG-CD1 4.29Å; F271-L314 HydrophobicContact CG-CD2 3.97Å; F271-L314 HydrophobicContact CZ-CD2 3.89Å; F271-T316 HydrophobicContact CE1-CG2 3.89Å; F271-T316 HydrophobicContact CZ-CG2 4.1Å |
| 272 | L | 94.9 | Very high | 92 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 137.3 | 174.5 | -67.9 | 171.8 | 0 | 0 | 0 | 108.4 | V224 L239 F243 A258 F261 G279 V280 L282 | V224-L272 HydrophobicContact CB-CD2 3.88Å; V224-L272 HydrophobicContact CG1-CD2 4.02Å; V224-L272 HydrophobicContact CG2-CD2 3.38Å; L239-L272 HydrophobicContact CB-CD1 4.02Å; L239-L272 HydrophobicContact CD1-CD1 3.98Å; F243-L272 HydrophobicContact CB-CD1 4.42Å; F243-L272 HydrophobicContact CD2-CB 4.21Å; F243-L272 HydrophobicContact CE2-CB 4.49Å; A258-L272 HydrophobicContact CB-CD2 4.02Å; F261-L272 HydrophobicContact CB-CD2 4.26Å; F261-L272 HydrophobicContact CD2-CD2 3.57Å; F261-L272 HydrophobicContact CD2-CG 4.39Å; F261-L272 HydrophobicContact CE2-CD2 4.46Å; F261-L272 HydrophobicContact CG-CD2 4.38Å; L272-G279 CarbonylContact O-C 3.59Å; L272-G279 WeakPolarHBondContact O-CA 3.38Å; L272-V280 PolarHBondContact N-O 3.46Å; L272-V280 PolarHBondContact O-N 2.92Å; L272-L282 HydrophobicContact CD1-CD1 3.61Å; L272-L282 HydrophobicContact CD1-CG 4.42Å |
| 273 | A | 93.5 | Very high | 91.8 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 151.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | A258 C259 T260 F271 H278 I302 | A258-A273 CarbonylContact C-O 3.51Å; A258-A273 WeakPolarHBondContact CA-O 3.49Å; C259-A273 WeakPolarHBondContact CA-O 3.44Å; C259-A273 PolarHBondContact N-O 2.81Å; T260-A273 HydrophobicContact CG2-CB 3.71Å; T260-A273 PolarHBondContact N-O 2.9Å; T260-A273 VanDerWaalsContact N-O 3.09Å; T260-A273 PolarHBondContact O-N 3.21Å; F271-A273 HydrophobicContact CD1-CB 4.38Å; F271-A273 HydrophobicContact CE1-CB 3.46Å; F271-A273 VanDerWaalsContact CE1-CB 3.46Å; F271-A273 HydrophobicContact CZ-CB 3.67Å; A273-H278 VanDerWaalsContact CA-O 3.28Å; A273-H278 WeakPolarHBondContact CA-O 3.12Å; A273-I302 HydrophobicContact CB-CB 3.86Å; A273-I302 HydrophobicContact CB-CD1 3.55Å; A273-I302 HydrophobicContact CB-CG1 4.27Å; A273-I302 HydrophobicContact CB-CG2 3.88Å |
| 274 | G | 90.1 | Very high | 91.6 | Very high | 2 Ų | 2 | 21.5 Ų | 21.5 | 2% | 0.021 | 9% | 0.09 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | -171.4 | -167 | 0 | 0 | 0 | 0 | 0 | 116.4 | E257 R276 G277 H278 I302 | E257-G274 WeakPolarHBondContact O-CA 3.43Å; G274-R276 VanDerWaalsContact C-N 3.28Å; G274-R276 PolarHBondContact O-N 2.76Å; G274-G277 PolarHBondContact O-N 3.49Å; G274-H278 PolarHBondContact N-O 3.24Å; G274-I302 PolarHBondContact O-N 2.99Å |
| 275 | E | 86.1 | Confident | 91.4 | Very high | 88 Ų | 88 | 24 Ų | 24 | 41% | 0.411 | 10% | 0.102 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -25.1 | -174.5 | -64.7 | -164.8 | -179.9 | 0 | 0 | 114.3 | C259 G277 H300 R301 | C259-E275 WeakPolarHBondContact SG-CG 3.02Å; E275-G277 VanDerWaalsContact C-N 3.33Å; E275-H300 CarbonylContact O-C 3.6Å; E275-H300 VanDerWaalsContact O-C 3.28Å; E275-R301 VanDerWaalsContact O-CA 3.25Å; E275-R301 WeakPolarHBondContact O-CA 3.15Å; E275-R301 PolarHBondContact O-N 3.49Å; E275-R301 IonicContact OE1-CZ 2.79Å; E275-R301 IonicContact OE1-NH1 3.88Å; E275-R301 PolarHBondContact OE1-NH1 3.45Å; E275-R301 IonicContact OE1-NH2 3.58Å; E275-R301 PolarHBondContact OE1-NH2 2.98Å; E275-R301 IonicContact OE2-NH2 3.81Å; E275-R301 PolarHBondContact OE2-NH2 2.89Å |
| 276 | R | 86.4 | Confident | 91.1 | Very high | 173 Ų | 173 | 28 Ų | 28 | 65% | 0.653 | 13% | 0.129 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93 | 12.6 | -177.5 | -62.7 | -173.9 | 179 | -175.3 | 0.4 | 113.8 | G274 H278 | G274-R276 VanDerWaalsContact C-N 3.28Å; G274-R276 PolarHBondContact O-N 2.76Å; R276-H278 PolarHBondContact O-N 3.33Å |
| 277 | G | 89 | Confident | 91.1 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 15% | 0.152 | C | C | . | . | S | Bend | trans | 74.2 | 15.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | G274 E275 G297 H298 H300 | G274-G277 PolarHBondContact O-N 3.49Å; E275-G277 VanDerWaalsContact C-N 3.33Å; G277-G297 PolarHBondContact O-N 3.12Å; G277-G297 VanDerWaalsContact O-N 3.1Å; G277-H298 WeakPolarHBondContact CA-O 3.5Å; G277-H298 PolarHBondContact O-N 3.19Å; G277-H300 WeakPolarHBondContact CA-O 3.37Å; G277-H300 PolarHBondContact N-O 2.74Å; G277-H300 VanDerWaalsContact N-O 3.16Å |
| 278 | H | 91.4 | Very high | 91.2 | Very high | 23 Ų | 23 | 32 Ų | 32 | 11% | 0.106 | 16% | 0.157 | C | C | . | . | trans | -97.5 | 150.2 | 175.8 | -55.4 | -40.3 | 0 | 0 | 0 | 111 | I245 A273 G274 R276 I294 S296 | I245-H278 HydrophobicContact CD1-CB 3.24Å; I245-H278 HydrophobicContact CG1-CB 4.17Å; A273-H278 VanDerWaalsContact CA-O 3.28Å; A273-H278 WeakPolarHBondContact CA-O 3.12Å; G274-H278 PolarHBondContact N-O 3.24Å; R276-H278 PolarHBondContact O-N 3.33Å; H278-I294 WeakPolarHBondContact CA-O 3.48Å; H278-S296 PolarHBondContact CE1-N 3.35Å; H278-S296 PolarHBondContact ND1-N 3.39Å | ||
| 279 | G | 92.5 | Very high | 91.2 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 153.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L272 Y293 I294 | L272-G279 CarbonylContact O-C 3.59Å; L272-G279 WeakPolarHBondContact O-CA 3.38Å; G279-Y293 CarbonylContact O-C 3.47Å; G279-Y293 WeakPolarHBondContact O-CA 3.24Å; G279-I294 PolarHBondContact N-O 2.8Å; G279-I294 PolarHBondContact O-N 2.86Å |
| 280 | V | 92.5 | Very high | 90.9 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 140.2 | 176.1 | 175.8 | 0 | 0 | 0 | 0 | 108.7 | F243 I245 F271 L272 L282 R290 | F243-V280 HydrophobicContact CD2-CB 3.77Å; F243-V280 HydrophobicContact CD2-CG2 3.56Å; F243-V280 HydrophobicContact CE2-CB 4Å; F243-V280 HydrophobicContact CE2-CG2 3.66Å; I245-V280 HydrophobicContact CG1-CG2 3.89Å; F271-V280 WeakPolarHBondContact CA-O 3.38Å; L272-V280 PolarHBondContact N-O 3.46Å; L272-V280 PolarHBondContact O-N 2.92Å; V280-L282 HydrophobicContact CG1-CD2 3.49Å; V280-L282 VanDerWaalsContact CG1-CD2 3.49Å; V280-L282 HydrophobicContact CG1-CG 3.98Å; V280-R290 HydrophobicContact CG1-CG 3.76Å |
| 281 | V | 93 | Very high | 90.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.8 | 174.3 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | H269 V270 F271 I291 A292 Y331 | H269-V281 HydrophobicContact CB-CG1 4.31Å; V270-V281 CarbonylContact O-C 3.58Å; V270-V281 WeakPolarHBondContact O-CA 3.36Å; F271-V281 HydrophobicContact CD2-CG2 3.79Å; V281-I291 HydrophobicContact CG1-CB 4.21Å; V281-I291 PolarHBondContact O-N 2.91Å; V281-A292 HydrophobicContact CB-CB 4.12Å; V281-A292 HydrophobicContact CG2-CB 4.23Å; V281-A292 PolarHBondContact N-O 2.73Å; V281-A292 PolarHBondContact O-N 2.85Å; V281-Y331 HydrophobicContact CB-CE2 4.21Å; V281-Y331 HydrophobicContact CG1-CE2 4.1Å; V281-Y331 WeakPolarHBondContact CG1-OH 3.49Å; V281-Y331 HydrophobicContact CG2-CD1 3.93Å; V281-Y331 HydrophobicContact CG2-CD2 4.12Å; V281-Y331 HydrophobicContact CG2-CE1 3.48Å; V281-Y331 VanDerWaalsContact CG2-CE1 3.48Å; V281-Y331 HydrophobicContact CG2-CE2 3.71Å; V281-Y331 HydrophobicContact CG2-CG 4.23Å |
| 282 | L | 92.8 | Very high | 90.2 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 1% | 0.01 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 152.9 | -179.4 | -56.7 | 179.3 | 0 | 0 | 0 | 110.7 | L239 K242 H269 V270 L272 V280 S289 R290 | L239-L282 HydrophobicContact CB-CD1 4.42Å; L239-L282 HydrophobicContact CD1-CD1 4.27Å; L239-L282 HydrophobicContact CD2-CD1 4.13Å; K242-L282 HydrophobicContact CB-CD1 3.61Å; K242-L282 HydrophobicContact CB-CD2 4.41Å; H269-L282 WeakPolarHBondContact CA-O 3.36Å; V270-L282 HydrophobicContact CG2-CB 3.92Å; V270-L282 PolarHBondContact N-O 3.09Å; V270-L282 PolarHBondContact O-N 2.85Å; L272-L282 HydrophobicContact CD1-CD1 3.61Å; L272-L282 HydrophobicContact CD1-CG 4.42Å; V280-L282 HydrophobicContact CG1-CD2 3.49Å; V280-L282 VanDerWaalsContact CG1-CD2 3.49Å; V280-L282 HydrophobicContact CG1-CG 3.98Å; L282-S289 WeakPolarHBondContact CA-O 3.07Å; L282-R290 HydrophobicContact CD2-CB 4.1Å; L282-R290 HydrophobicContact CD2-CG 4.23Å |
| 283 | D | 91.5 | Very high | 89.8 | Confident | 21 Ų | 21 | 40.6 Ų | 40.6 | 11% | 0.112 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 139 | 159.1 | -155.5 | -25.8 | 0 | 0 | 0 | 108.9 | R268 E285 F288 S289 I291 | R268-D283 IonicContact NE-OD2 3.97Å; D283-E285 VanDerWaalsContact C-N 3.27Å; D283-E285 PolarHBondContact OD1-N 3Å; D283-F288 WeakPolarHBondContact O-CA 3.07Å; D283-F288 WeakPolarHBondContact O-CD1 3.46Å; D283-S289 PolarHBondContact N-O 3.26Å; D283-I291 HydrophobicContact CB-CD1 4.14Å |
| 284 | A | 92.5 | Very high | 89.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -79.8 | -12.3 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y236 W263 G267 R268 V270 F288 | Y236-A284 WeakPolarHBondContact CE2-O 3.27Å; W263-A284 HydrophobicContact CH2-CB 4.22Å; W263-A284 HydrophobicContact CZ3-CB 3.64Å; G267-A284 WeakPolarHBondContact O-CB 3.27Å; R268-A284 VanDerWaalsContact O-CB 3.29Å; R268-A284 WeakPolarHBondContact O-CB 3.47Å; R268-A284 PolarHBondContact O-N 3.16Å; V270-A284 HydrophobicContact CG1-CB 4.15Å; A284-F288 WeakPolarHBondContact O-CE1 3.37Å |
| 285 | E | 91 | Very high | 89.2 | Confident | 54 Ų | 54 | 46.6 Ų | 46.6 | 25% | 0.252 | 23% | 0.227 | S | C | . | . | S | Bend | trans | -101.5 | 151.8 | 175.8 | -69 | -60.3 | 153.7 | 0 | 0 | 112.1 | R145 R214 D283 F288 | R145-E285 VanDerWaalsContact CD-OE1 3.26Å; R145-E285 WeakPolarHBondContact CD-OE1 3.35Å; R145-E285 IonicContact CZ-OE1 3.6Å; R145-E285 IonicContact CZ-OE2 3.23Å; R145-E285 VanDerWaalsContact CZ-OE2 3.26Å; R145-E285 VanDerWaalsContact NE-CD 3.25Å; R145-E285 IonicContact NE-OE1 3.73Å; R145-E285 PolarHBondContact NE-OE1 3.43Å; R145-E285 IonicContact NE-OE2 3.42Å; R145-E285 PolarHBondContact NE-OE2 2.63Å; R145-E285 IonicContact NH2-OE1 2.95Å; R145-E285 IonicContact NH2-OE2 3.02Å; R145-E285 PolarHBondContact NH2-OE2 3.36Å; R214-E285 IonicContact NH1-OE1 2.6Å; R214-E285 PolarHBondContact NH1-OE1 2.74Å; D283-E285 VanDerWaalsContact C-N 3.27Å; D283-E285 PolarHBondContact OD1-N 3Å; E285-F288 VanDerWaalsContact O-CA 3.32Å; E285-F288 WeakPolarHBondContact O-CA 3.48Å; E285-F288 PolarHBondContact O-N 3.48Å |
| 286 | S | 86.5 | Confident | 88.8 | Confident | 85 Ų | 85 | 45.6 Ų | 45.6 | 59% | 0.594 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.9 | 132.2 | 173.3 | 59.1 | 0 | 0 | 0 | 0 | 110 | ||
| 287 | P | 88.9 | Confident | 88.4 | Confident | 97 Ų | 97 | 37.4 Ų | 37.4 | 63% | 0.63 | 20% | 0.199 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -92.5 | 20.1 | 18.1 | 36.6 | -37.6 | 0 | 0 | 0 | 115.9 | K242 | K242-P287 WeakPolarHBondContact CE-O 3.39Å; K242-P287 PolarHBondContact NZ-O 3.07Å; K242-P287 VanDerWaalsContact NZ-O 3.16Å |
| 288 | F | 90.4 | Very high | 88.5 | Confident | 22 Ų | 22 | 37.5 Ų | 37.5 | 10% | 0.096 | 20% | 0.2 | C | C | . | . | trans | 55.7 | 51.7 | -175.6 | -48.5 | -76.6 | 0 | 0 | 0 | 111.2 | L226 Y236 L239 K242 D283 A284 E285 | L226-F288 HydrophobicContact CD1-CD1 4.25Å; L226-F288 HydrophobicContact CD1-CE1 3.73Å; Y236-F288 HydrophobicContact CD2-CE1 4.38Å; Y236-F288 HydrophobicContact CD2-CZ 4.15Å; Y236-F288 HydrophobicContact CE2-CE1 4.11Å; Y236-F288 HydrophobicContact CE2-CZ 4.35Å; L239-F288 HydrophobicContact CD2-CB 3.84Å; L239-F288 HydrophobicContact CD2-CD1 3.67Å; L239-F288 HydrophobicContact CD2-CD2 4.23Å; L239-F288 HydrophobicContact CD2-CE1 4.27Å; L239-F288 HydrophobicContact CD2-CG 3.65Å; K242-F288 HydrophobicContact CG-CB 4.29Å; D283-F288 WeakPolarHBondContact O-CA 3.07Å; D283-F288 WeakPolarHBondContact O-CD1 3.46Å; A284-F288 WeakPolarHBondContact O-CE1 3.37Å; E285-F288 VanDerWaalsContact O-CA 3.32Å; E285-F288 WeakPolarHBondContact O-CA 3.48Å; E285-F288 PolarHBondContact O-N 3.48Å | ||
| 289 | S | 88.4 | Confident | 88.5 | Confident | 48 Ų | 48 | 41.5 Ų | 41.5 | 34% | 0.336 | 22% | 0.215 | S | C | . | . | trans | -64.7 | 143 | -177.2 | 50.9 | 0 | 0 | 0 | 0 | 111.1 | L282 D283 I291 | L282-S289 WeakPolarHBondContact CA-O 3.07Å; D283-S289 PolarHBondContact N-O 3.26Å; S289-I291 PolarHBondContact O-N 3.41Å | ||
| 290 | R | 87.5 | Confident | 88.4 | Confident | 82 Ų | 82 | 43.8 Ų | 43.8 | 31% | 0.309 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 126.8 | 172.3 | -164.4 | -174.7 | -59.9 | 146.6 | 3.7 | 109.4 | T244 E253 V280 L282 | T244-R290 PolarHBondContact O-NE 2.98Å; T244-R290 PolarHBondContact O-NH2 2.59Å; T244-R290 PolarHBondContact OG1-NH2 2.81Å; E253-R290 IonicContact OE1-CZ 2.74Å; E253-R290 IonicContact OE1-NH1 2.63Å; E253-R290 IonicContact OE1-NH2 3.04Å; E253-R290 PolarHBondContact OE1-NH2 2.66Å; E253-R290 IonicContact OE2-NH2 3.58Å; V280-R290 HydrophobicContact CG1-CG 3.76Å; L282-R290 HydrophobicContact CD2-CB 4.1Å; L282-R290 HydrophobicContact CD2-CG 4.23Å |
| 291 | I | 86.8 | Confident | 88.3 | Confident | 58 Ų | 58 | 46.7 Ų | 46.7 | 30% | 0.297 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | -43 | 179.6 | -59.9 | 172.7 | 0 | 0 | 0 | 109.9 | H269 V281 D283 S289 | H269-I291 HydrophobicContact CB-CD1 4.45Å; H269-I291 WeakPolarHBondContact CE1-CD1 3.1Å; H269-I291 WeakPolarHBondContact ND1-CD1 3.44Å; V281-I291 HydrophobicContact CG1-CB 4.21Å; V281-I291 PolarHBondContact O-N 2.91Å; D283-I291 HydrophobicContact CB-CD1 4.14Å; S289-I291 PolarHBondContact O-N 3.41Å |
| 292 | A | 87.9 | Confident | 88.4 | Confident | 19 Ų | 19 | 46.8 Ų | 46.8 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 167.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | V281 Y331 | V281-A292 HydrophobicContact CB-CB 4.12Å; V281-A292 HydrophobicContact CG2-CB 4.23Å; V281-A292 PolarHBondContact N-O 2.73Å; V281-A292 PolarHBondContact O-N 2.85Å; A292-Y331 HydrophobicContact CB-CD2 3.35Å; A292-Y331 HydrophobicContact CB-CE2 3.73Å; A292-Y331 HydrophobicContact CB-CG 4.23Å |
| 293 | Y | 88.1 | Confident | 88.4 | Confident | 79 Ų | 79 | 47.8 Ų | 47.8 | 31% | 0.31 | 24% | 0.243 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.6 | 171.6 | 63.2 | -85.4 | 0 | 0 | 0 | 109.8 | P246 G279 R295 | P246-Y293 HydrophobicContact CG-CD1 4.1Å; P246-Y293 HydrophobicContact CG-CD2 4.34Å; P246-Y293 HydrophobicContact CG-CE1 3.83Å; P246-Y293 HydrophobicContact CG-CE2 4.08Å; P246-Y293 HydrophobicContact CG-CG 4.36Å; G279-Y293 CarbonylContact O-C 3.47Å; G279-Y293 WeakPolarHBondContact O-CA 3.24Å; Y293-R295 HydrophobicContact CD2-CB 4.04Å; Y293-R295 HydrophobicContact CE2-CB 4.05Å |
| 294 | I | 88.8 | Confident | 88.5 | Confident | 9 Ų | 9 | 47.8 Ų | 47.8 | 5% | 0.046 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 97.9 | 174.4 | -56.9 | 179.2 | 0 | 0 | 0 | 106.6 | F271 H278 G279 L314 W326 Y331 | F271-I294 HydrophobicContact CE2-CD1 3.76Å; F271-I294 HydrophobicContact CE2-CG1 4.4Å; F271-I294 HydrophobicContact CZ-CD1 4.18Å; H278-I294 WeakPolarHBondContact CA-O 3.48Å; G279-I294 PolarHBondContact N-O 2.8Å; G279-I294 PolarHBondContact O-N 2.86Å; I294-L314 HydrophobicContact CD1-CD2 3.92Å; I294-W326 HydrophobicContact CD1-CD2 3.89Å; I294-W326 HydrophobicContact CD1-CE3 4.02Å; I294-W326 HydrophobicContact CD1-CG 4.16Å; I294-W326 HydrophobicContact CG2-CD2 4.46Å; I294-W326 HydrophobicContact CG2-CE3 3.96Å; I294-W326 HydrophobicContact CG2-CH2 3.56Å; I294-W326 HydrophobicContact CG2-CZ2 4.02Å; I294-W326 HydrophobicContact CG2-CZ3 3.47Å; I294-W326 VanDerWaalsContact CG2-CZ3 3.47Å; I294-Y331 HydrophobicContact CD1-CD1 4.26Å |
| 295 | R | 82.1 | Confident | 88.7 | Confident | 119 Ų | 119 | 47.8 Ų | 47.8 | 45% | 0.449 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | 133.9 | 176 | -171.2 | 166 | 71.2 | 136.4 | -17.8 | 109.9 | D248 Y293 G297 | D248-R295 VanDerWaalsContact CG-NH1 3.28Å; D248-R295 IonicContact OD1-CZ 3.42Å; D248-R295 IonicContact OD1-NH1 3.22Å; D248-R295 PolarHBondContact OD1-NH1 2.83Å; D248-R295 VanDerWaalsContact OD1-NH1 3.09Å; D248-R295 IonicContact OD1-NH2 3.85Å; D248-R295 PolarHBondContact OD1-NH2 3.1Å; D248-R295 IonicContact OD2-CZ 3.36Å; D248-R295 IonicContact OD2-NH1 3.09Å; D248-R295 PolarHBondContact OD2-NH1 3.16Å; D248-R295 IonicContact OD2-NH2 3.79Å; Y293-R295 HydrophobicContact CD2-CB 4.04Å; Y293-R295 HydrophobicContact CE2-CB 4.05Å; R295-G297 PolarHBondContact O-N 3.02Å; R295-G297 VanDerWaalsContact O-N 3.12Å |
| 296 | S | 75.9 | Confident | 88.9 | Confident | 66 Ų | 66 | 49.2 Ų | 49.2 | 46% | 0.462 | 25% | 0.25 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.2 | 40.4 | -178.8 | -54.3 | 0 | 0 | 0 | 0 | 113.7 | H278 H298 | H278-S296 PolarHBondContact CE1-N 3.35Å; H278-S296 PolarHBondContact ND1-N 3.39Å; S296-H298 VanDerWaalsContact C-N 3.28Å; S296-H298 PolarHBondContact O-N 2.83Å |
| 297 | G | 79.9 | Confident | 89.3 | Confident | 1 Ų | 1 | 46 Ų | 46 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -66.7 | -35.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112 | G277 R295 R336 | G277-G297 PolarHBondContact O-N 3.12Å; G277-G297 VanDerWaalsContact O-N 3.1Å; R295-G297 PolarHBondContact O-N 3.02Å; R295-G297 VanDerWaalsContact O-N 3.12Å; G297-R336 VanDerWaalsContact O-CZ 3.23Å; G297-R336 PolarHBondContact O-NH1 3.39Å; G297-R336 PolarHBondContact O-NH2 2.92Å |
| 298 | H | 91.1 | Very high | 89.5 | Confident | 3 Ų | 3 | 41.4 Ų | 41.4 | 1% | 0.014 | 20% | 0.195 | C | C | . | . | trans | -129 | 167.9 | 171 | -75.6 | -80.2 | 0 | 0 | 0 | 110.4 | G277 S296 I302 T316 S318 D320 C322 | G277-H298 WeakPolarHBondContact CA-O 3.5Å; G277-H298 PolarHBondContact O-N 3.19Å; S296-H298 VanDerWaalsContact C-N 3.28Å; S296-H298 PolarHBondContact O-N 2.83Å; H298-I302 HydrophobicContact CB-CD1 4.42Å; H298-I302 HydrophobicContact CB-CG1 4.02Å; H298-T316 PolarHBondContact CD2-OG1 3.35Å; H298-T316 PolarHBondContact NE2-OG1 3.14Å; H298-S318 VanDerWaalsContact CG-CB 3.47Å; H298-S318 VanDerWaalsContact ND1-CB 3.3Å; H298-S318 WeakPolarHBondContact ND1-CB 3.47Å; H298-D320 WeakPolarHBondContact CA-OD2 3.28Å; H298-D320 WeakPolarHBondContact CB-OD2 3Å; H298-D320 IonicContact CG-OD2 3.95Å; H298-D320 IonicContact ND1-OD1 3.45Å; H298-D320 PolarHBondContact ND1-OD1 3.5Å; H298-D320 IonicContact ND1-OD2 3.58Å; H298-D320 PolarHBondContact ND1-OD2 2.95Å; H298-C322 PolarHBondContact CE1-O 2.85Å | ||
| 299 | Y | 90 | Very high | 89.5 | Confident | 107 Ų | 107 | 44.3 Ų | 44.3 | 42% | 0.42 | 21% | 0.208 | S | C | . | . | S | Bend | trans | -101.6 | 0 | -179.8 | -65.6 | -89.9 | 0 | 0 | 0 | 113.1 | D320 R349 | Y299-D320 PolarHBondContact N-OD2 3.49Å; Y299-R349 HydrophobicContact CG-CB 4.23Å; Y299-R349 VanDerWaalsContact CZ-NH1 3.28Å; Y299-R349 PolarHBondContact OH-NH1 2.86Å |
| 300 | H | 90.9 | Very high | 89.4 | Confident | 47 Ų | 47 | 42.2 Ų | 42.2 | 22% | 0.218 | 19% | 0.193 | C | C | . | . | S | Bend | trans | -149.7 | -178.9 | 178 | -155.9 | -81.7 | 0 | 0 | 0 | 109.9 | E275 G277 I302 S318 Y319 D320 G350 | E275-H300 CarbonylContact O-C 3.6Å; E275-H300 VanDerWaalsContact O-C 3.28Å; G277-H300 WeakPolarHBondContact CA-O 3.37Å; G277-H300 PolarHBondContact N-O 2.74Å; G277-H300 VanDerWaalsContact N-O 3.16Å; H300-I302 PolarHBondContact O-N 2.88Å; H300-S318 PolarHBondContact O-OG 3.23Å; H300-Y319 AromaticContact CE1-CD2 3.89Å; H300-Y319 WeakPolarHBondContact ND1-CB 3.05Å; H300-Y319 AromaticContact ND1-CD2 3.9Å; H300-Y319 AromaticContact ND1-CG 3.91Å; H300-D320 HydrophobicContact CB-CB 3.99Å; H300-G350 PolarHBondContact CD2-O 2.82Å; H300-G350 VanDerWaalsContact CD2-O 3.32Å |
| 301 | R | 91.1 | Very high | 89.6 | Confident | 61 Ų | 61 | 38.3 Ų | 38.3 | 23% | 0.23 | 18% | 0.178 | C | C | . | . | trans | -44.8 | 122.5 | 173.8 | -179.5 | -174.2 | -64.8 | -113.7 | 4.5 | 111.6 | C259 E275 S303 S318 Y319 | C259-R301 HydrophobicContact CB-CG 3.99Å; C259-R301 PolarHBondContact SG-NH1 3.17Å; E275-R301 VanDerWaalsContact O-CA 3.25Å; E275-R301 WeakPolarHBondContact O-CA 3.15Å; E275-R301 PolarHBondContact O-N 3.49Å; E275-R301 IonicContact OE1-CZ 2.79Å; E275-R301 IonicContact OE1-NH1 3.88Å; E275-R301 PolarHBondContact OE1-NH1 3.45Å; E275-R301 IonicContact OE1-NH2 3.58Å; E275-R301 PolarHBondContact OE1-NH2 2.98Å; E275-R301 IonicContact OE2-NH2 3.81Å; E275-R301 PolarHBondContact OE2-NH2 2.89Å; R301-S303 PolarHBondContact O-N 3.36Å; R301-S318 VanDerWaalsContact O-CA 3.31Å; R301-S318 WeakPolarHBondContact O-CA 3.16Å; R301-S318 WeakPolarHBondContact O-CB 3.39Å; R301-S318 PolarHBondContact O-OG 3.3Å; R301-Y319 HydrophobicContact CB-CG 4.43Å; R301-Y319 PolarHBondContact O-N 2.79Å | ||
| 302 | I | 94.2 | Very high | 89.7 | Confident | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 115.3 | 166.6 | -62 | 167.4 | 0 | 0 | 0 | 107.1 | C259 T260 A273 G274 H298 H300 T316 A317 | C259-I302 VanDerWaalsContact CB-O 3.31Å; C259-I302 WeakPolarHBondContact CB-O 3.39Å; T260-I302 HydrophobicContact CG2-CB 4.45Å; T260-I302 HydrophobicContact CG2-CG2 3.76Å; A273-I302 HydrophobicContact CB-CB 3.86Å; A273-I302 HydrophobicContact CB-CD1 3.55Å; A273-I302 HydrophobicContact CB-CG1 4.27Å; A273-I302 HydrophobicContact CB-CG2 3.88Å; G274-I302 PolarHBondContact O-N 2.99Å; H298-I302 HydrophobicContact CB-CD1 4.42Å; H298-I302 HydrophobicContact CB-CG1 4.02Å; H300-I302 PolarHBondContact O-N 2.88Å; I302-T316 HydrophobicContact CG2-CG2 4.43Å; I302-A317 CarbonylContact C-O 3.6Å; I302-A317 WeakPolarHBondContact CA-O 3.3Å; I302-A317 WeakPolarHBondContact CG2-O 3.36Å |
| 303 | S | 92.4 | Very high | 89.9 | Confident | 22 Ų | 22 | 37.3 Ų | 37.3 | 15% | 0.154 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | -40.8 | -177.2 | 53.6 | 0 | 0 | 0 | 0 | 111.8 | T260 R301 A317 I357 | T260-S303 PolarHBondContact OG1-O 2.74Å; R301-S303 PolarHBondContact O-N 3.36Å; S303-A317 PolarHBondContact N-O 3.33Å; S303-A317 PolarHBondContact OG-O 3.05Å; S303-I357 VanDerWaalsContact CB-O 3.24Å; S303-I357 WeakPolarHBondContact CB-O 3.37Å; S303-I357 PolarHBondContact OG-O 2.85Å |
| 304 | V | 94.1 | Very high | 90.3 | Very high | 21 Ų | 21 | 33.5 Ų | 33.5 | 13% | 0.127 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 141.1 | -176 | -175 | 0 | 0 | 0 | 0 | 110.4 | K306 T316 A317 L360 | V304-K306 HydrophobicContact CG1-CG 4.14Å; V304-T316 CarbonylContact O-C 3.53Å; V304-T316 WeakPolarHBondContact O-CA 3.18Å; V304-A317 HydrophobicContact CB-CB 4.4Å; V304-A317 PolarHBondContact N-O 3.42Å; V304-A317 PolarHBondContact O-N 3.27Å; V304-L360 HydrophobicContact CB-CB 4.07Å; V304-L360 HydrophobicContact CG1-CB 3.92Å |
| 305 | A | 95.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 138.7 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110 | T260 A262 F271 L314 V315 T316 | T260-A305 HydrophobicContact CG2-CB 3.81Å; T260-A305 PolarHBondContact OG1-N 3.04Å; A262-A305 HydrophobicContact CB-CB 4.16Å; A262-A305 WeakPolarHBondContact CB-O 3.08Å; F271-A305 HydrophobicContact CD1-CB 3.45Å; F271-A305 VanDerWaalsContact CD1-CB 3.45Å; F271-A305 HydrophobicContact CE1-CB 3.53Å; A305-L314 HydrophobicContact CB-CD1 4.29Å; A305-V315 CarbonylContact C-O 3.5Å; A305-V315 WeakPolarHBondContact CA-O 3.4Å; A305-T316 HydrophobicContact CB-CG2 4.12Å |
| 306 | K | 96.2 | Very high | 91.3 | Very high | 84 Ų | 84 | 27.5 Ų | 27.5 | 37% | 0.365 | 13% | 0.134 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 133.4 | 176.8 | -66.5 | -66.9 | -178.3 | 176 | 0 | 109.9 | V304 V315 L360 L362 | V304-K306 HydrophobicContact CG1-CG 4.14Å; K306-V315 PolarHBondContact N-O 3.35Å; K306-V315 PolarHBondContact O-N 3.25Å; K306-L360 HydrophobicContact CB-CD2 4.09Å; K306-L360 HydrophobicContact CG-CD2 3.95Å; K306-L362 HydrophobicContact CB-CD1 3.69Å; K306-L362 HydrophobicContact CB-CG 4.14Å |
| 307 | F | 95.8 | Very high | 92.2 | Very high | 16 Ų | 16 | 24.3 Ų | 24.3 | 7% | 0.07 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 146.5 | 166.6 | -74.3 | -82.4 | 0 | 0 | 0 | 110.2 | A262 W263 H264 F271 L313 L314 V328 Y331 L362 | A262-F307 HydrophobicContact CB-CD2 3.97Å; A262-F307 HydrophobicContact CB-CE2 4.13Å; W263-F307 WeakPolarHBondContact O-CD2 3.31Å; H264-F307 HydrophobicContact CB-CD2 4.45Å; H264-F307 HydrophobicContact CB-CE2 4.38Å; H264-F307 AromaticContact CD2-CD1 3.66Å; H264-F307 AromaticContact CD2-CE1 3.65Å; F271-F307 HydrophobicContact CB-CE2 3.57Å; F271-F307 HydrophobicContact CB-CZ 3.77Å; F307-L313 WeakPolarHBondContact CA-O 3.25Å; F307-L314 HydrophobicContact CD1-CB 3.94Å; F307-L314 HydrophobicContact CD1-CD1 4.13Å; F307-L314 HydrophobicContact CD2-CD1 4.17Å; F307-L314 HydrophobicContact CE1-CB 3.78Å; F307-L314 HydrophobicContact CE1-CD1 3.99Å; F307-L314 HydrophobicContact CE1-CG 4.3Å; F307-L314 HydrophobicContact CE2-CD1 4.05Å; F307-L314 HydrophobicContact CG-CD1 4.23Å; F307-L314 HydrophobicContact CZ-CB 4.48Å; F307-L314 HydrophobicContact CZ-CD1 3.95Å; F307-L314 HydrophobicContact CZ-CD2 4.48Å; F307-V328 HydrophobicContact CD1-CG2 4.1Å; F307-V328 HydrophobicContact CE1-CG2 3.82Å; F307-Y331 HydrophobicContact CE1-CE1 4.08Å; F307-Y331 HydrophobicContact CZ-CE1 4.31Å; F307-L362 VanDerWaalsContact O-CD1 3.31Å; F307-L362 WeakPolarHBondContact O-CD1 3.34Å |
| 308 | S | 93 | Very high | 92.9 | Very high | 1 Ų | 1 | 24.3 Ų | 24.3 | 1% | 0.007 | 11% | 0.112 | C | C | . | . | trans | -60.9 | 154.7 | 165.6 | 59.1 | 0 | 0 | 0 | 0 | 110.7 | D310 G311 S312 L313 D366 | S308-D310 VanDerWaalsContact C-N 3.25Å; S308-D310 VanDerWaalsContact CB-OD1 3.31Å; S308-D310 WeakPolarHBondContact CB-OD1 3.17Å; S308-D310 PolarHBondContact O-N 3.19Å; S308-D310 PolarHBondContact OG-OD1 2.75Å; S308-G311 PolarHBondContact O-N 2.87Å; S308-G311 PolarHBondContact OG-N 3.17Å; S308-S312 PolarHBondContact OG-N 2.85Å; S308-L313 PolarHBondContact N-O 3.14Å; S308-L313 PolarHBondContact OG-N 2.91Å; S308-L313 PolarHBondContact OG-O 3.42Å; S308-D366 WeakPolarHBondContact CA-OD1 3.45Å; S308-D366 WeakPolarHBondContact CB-OD1 3.27Å | ||
| 309 | K | 90.2 | Very high | 93 | Very high | 84 Ų | 84 | 25.7 Ų | 25.7 | 37% | 0.365 | 12% | 0.117 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -28.6 | -178.6 | -69.2 | -67.5 | -172.3 | 174.3 | 0 | 112 | I209 G311 D366 | I209-K309 HydrophobicContact CD1-CD 4.26Å; K309-G311 VanDerWaalsContact C-N 3.28Å; K309-D366 PolarHBondContact N-OD1 2.91Å; K309-D366 PolarHBondContact N-OD2 3.36Å |
| 310 | D | 86.5 | Confident | 93.1 | Very high | 4 Ų | 4 | 20.6 Ų | 20.6 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -14.2 | 171.1 | 71.2 | 4.4 | 0 | 0 | 0 | 114.3 | S308 S312 D366 R448 R449 | S308-D310 VanDerWaalsContact C-N 3.25Å; S308-D310 VanDerWaalsContact CB-OD1 3.31Å; S308-D310 WeakPolarHBondContact CB-OD1 3.17Å; S308-D310 PolarHBondContact O-N 3.19Å; S308-D310 PolarHBondContact OG-OD1 2.75Å; D310-S312 VanDerWaalsContact C-N 3.28Å; D310-S312 PolarHBondContact O-N 3.43Å; D310-S312 WeakPolarHBondContact OD1-CB 3.31Å; D310-S312 PolarHBondContact OD1-N 2.86Å; D310-S312 PolarHBondContact OD1-OG 3.38Å; D310-S312 PolarHBondContact OD2-OG 3.41Å; D310-D366 PolarHBondContact N-OD2 3.13Å; D310-D366 VanDerWaalsContact N-OD2 3.09Å; D310-R448 HydrophobicContact CB-CB 3.95Å; D310-R448 WeakPolarHBondContact OD2-CD 3.19Å; D310-R448 IonicContact OD2-NH1 3.27Å; D310-R449 WeakPolarHBondContact O-CA 3.42Å |
| 311 | G | 90.9 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 9% | 0.087 | C | C | . | . | S | Bend | trans | 77.4 | 5.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115 | H264 P265 S308 K309 V328 | H264-G311 PolarHBondContact NE2-O 3.42Å; H264-G311 VanDerWaalsContact NE2-O 3.15Å; P265-G311 VanDerWaalsContact CG-CA 3.43Å; S308-G311 PolarHBondContact O-N 2.87Å; S308-G311 PolarHBondContact OG-N 3.17Å; K309-G311 VanDerWaalsContact C-N 3.28Å; G311-V328 WeakPolarHBondContact O-CB 3.33Å; G311-V328 WeakPolarHBondContact O-CG1 3.47Å |
| 312 | S | 88.6 | Confident | 93.2 | Very high | 24 Ų | 24 | 15.5 Ų | 15.5 | 17% | 0.168 | 8% | 0.076 | C | C | . | . | S | Bend | trans | -82.7 | -19.8 | -177.9 | 69.6 | 0 | 0 | 0 | 0 | 114 | S308 D310 V328 | S308-S312 PolarHBondContact OG-N 2.85Å; D310-S312 VanDerWaalsContact C-N 3.28Å; D310-S312 PolarHBondContact O-N 3.43Å; D310-S312 WeakPolarHBondContact OD1-CB 3.31Å; D310-S312 PolarHBondContact OD1-N 2.86Å; D310-S312 PolarHBondContact OD1-OG 3.38Å; D310-S312 PolarHBondContact OD2-OG 3.41Å; S312-V328 WeakPolarHBondContact O-CB 3.3Å; S312-V328 PolarHBondContact O-N 2.79Å |
| 313 | L | 92.9 | Very high | 93.3 | Very high | 31 Ų | 31 | 15.3 Ų | 15.3 | 16% | 0.162 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.2 | 146.1 | -175.6 | -59.6 | 175.1 | 0 | 0 | 0 | 111.5 | F307 S308 V325 W326 L334 | F307-L313 WeakPolarHBondContact CA-O 3.25Å; S308-L313 PolarHBondContact N-O 3.14Å; S308-L313 PolarHBondContact OG-N 2.91Å; S308-L313 PolarHBondContact OG-O 3.42Å; L313-V325 HydrophobicContact CB-CG1 4.37Å; L313-V325 HydrophobicContact CD1-CG1 4.24Å; L313-V325 HydrophobicContact CD2-CG1 3.97Å; L313-V325 HydrophobicContact CG-CG1 4.43Å; L313-W326 WeakPolarHBondContact CA-O 3.5Å; L313-L334 HydrophobicContact CD2-CD1 3.65Å |
| 314 | L | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 14.3 Ų | 14.3 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 132.9 | 163.7 | 169.1 | 68.7 | 0 | 0 | 0 | 107.8 | F271 I294 A305 F307 T316 V325 W326 V328 Y331 | F271-L314 HydrophobicContact CD1-CD1 4.09Å; F271-L314 HydrophobicContact CD1-CD2 4.17Å; F271-L314 HydrophobicContact CD2-CD2 3.76Å; F271-L314 HydrophobicContact CE1-CD1 4.47Å; F271-L314 HydrophobicContact CE1-CD2 4.12Å; F271-L314 HydrophobicContact CE2-CD2 3.72Å; F271-L314 HydrophobicContact CG-CD1 4.29Å; F271-L314 HydrophobicContact CG-CD2 3.97Å; F271-L314 HydrophobicContact CZ-CD2 3.89Å; I294-L314 HydrophobicContact CD1-CD2 3.92Å; A305-L314 HydrophobicContact CB-CD1 4.29Å; F307-L314 HydrophobicContact CD1-CB 3.94Å; F307-L314 HydrophobicContact CD1-CD1 4.13Å; F307-L314 HydrophobicContact CD2-CD1 4.17Å; F307-L314 HydrophobicContact CE1-CB 3.78Å; F307-L314 HydrophobicContact CE1-CD1 3.99Å; F307-L314 HydrophobicContact CE1-CG 4.3Å; F307-L314 HydrophobicContact CE2-CD1 4.05Å; F307-L314 HydrophobicContact CG-CD1 4.23Å; F307-L314 HydrophobicContact CZ-CB 4.48Å; F307-L314 HydrophobicContact CZ-CD1 3.95Å; F307-L314 HydrophobicContact CZ-CD2 4.48Å; L314-T316 HydrophobicContact CD1-CG2 4.41Å; L314-T316 HydrophobicContact CD2-CG2 4.29Å; L314-T316 HydrophobicContact CG-CG2 4.12Å; L314-V325 CarbonylContact O-C 3.59Å; L314-V325 WeakPolarHBondContact O-CA 3.46Å; L314-W326 HydrophobicContact CB-CB 4.15Å; L314-W326 HydrophobicContact CD2-CG 4.48Å; L314-W326 PolarHBondContact N-O 3.12Å; L314-W326 VanDerWaalsContact O-CD1 3.26Å; L314-W326 PolarHBondContact O-N 3.34Å; L314-V328 HydrophobicContact CB-CG2 4.19Å; L314-Y331 HydrophobicContact CD2-CD1 4.14Å; L314-Y331 HydrophobicContact CD2-CE1 4.22Å |
| 315 | V | 96.4 | Very high | 93.4 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.062 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 125.4 | 176.1 | -171.3 | 0 | 0 | 0 | 0 | 108.8 | A305 K306 A324 V325 L360 L362 L383 | A305-V315 CarbonylContact C-O 3.5Å; A305-V315 WeakPolarHBondContact CA-O 3.4Å; K306-V315 PolarHBondContact N-O 3.35Å; K306-V315 PolarHBondContact O-N 3.25Å; V315-A324 WeakPolarHBondContact CA-O 3.09Å; V315-V325 HydrophobicContact CG1-CG2 4.14Å; V315-V325 HydrophobicContact CG2-CG1 4.44Å; V315-V325 HydrophobicContact CG2-CG2 4.03Å; V315-L360 HydrophobicContact CB-CD2 4.32Å; V315-L360 HydrophobicContact CG1-CD1 3.59Å; V315-L360 HydrophobicContact CG1-CD2 4.07Å; V315-L360 HydrophobicContact CG1-CG 4.49Å; V315-L362 HydrophobicContact CB-CD2 4.16Å; V315-L362 HydrophobicContact CG2-CD1 4.23Å; V315-L362 HydrophobicContact CG2-CD2 3.62Å; V315-L362 HydrophobicContact CG2-CG 4.45Å; V315-L383 HydrophobicContact CG2-CD2 3.79Å |
| 316 | T | 96.8 | Very high | 93.3 | Very high | 1 Ų | 1 | 13.8 Ų | 13.8 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 141.7 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 110.4 | F271 H298 I302 V304 A305 L314 C323 A324 W326 | F271-T316 HydrophobicContact CE1-CG2 3.89Å; F271-T316 HydrophobicContact CZ-CG2 4.1Å; H298-T316 PolarHBondContact CD2-OG1 3.35Å; H298-T316 PolarHBondContact NE2-OG1 3.14Å; I302-T316 HydrophobicContact CG2-CG2 4.43Å; V304-T316 CarbonylContact O-C 3.53Å; V304-T316 WeakPolarHBondContact O-CA 3.18Å; A305-T316 HydrophobicContact CB-CG2 4.12Å; L314-T316 HydrophobicContact CD1-CG2 4.41Å; L314-T316 HydrophobicContact CD2-CG2 4.29Å; L314-T316 HydrophobicContact CG-CG2 4.12Å; T316-C323 CarbonylContact O-C 3.51Å; T316-C323 WeakPolarHBondContact O-CA 3.19Å; T316-A324 PolarHBondContact N-O 3.2Å; T316-A324 PolarHBondContact O-N 2.97Å; T316-W326 PolarHBondContact OG1-NE1 3.38Å |
| 317 | A | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 10.5 Ų | 10.5 | 0% | 0 | 5% | 0.051 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 145.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | I302 S303 V304 I357 L360 | I302-A317 CarbonylContact C-O 3.6Å; I302-A317 WeakPolarHBondContact CA-O 3.3Å; I302-A317 WeakPolarHBondContact CG2-O 3.36Å; S303-A317 PolarHBondContact N-O 3.33Å; S303-A317 PolarHBondContact OG-O 3.05Å; V304-A317 HydrophobicContact CB-CB 4.4Å; V304-A317 PolarHBondContact N-O 3.42Å; V304-A317 PolarHBondContact O-N 3.27Å; A317-I357 HydrophobicContact CB-CB 4.17Å; A317-I357 HydrophobicContact CB-CG2 3.64Å; A317-L360 HydrophobicContact CB-CB 4.02Å; A317-L360 HydrophobicContact CB-CD1 3.85Å |
| 318 | S | 94.3 | Very high | 92.5 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 160.9 | -172.5 | 153.9 | 0 | 0 | 0 | 0 | 112.5 | H298 H300 R301 D320 S321 C322 I357 | H298-S318 VanDerWaalsContact CG-CB 3.47Å; H298-S318 VanDerWaalsContact ND1-CB 3.3Å; H298-S318 WeakPolarHBondContact ND1-CB 3.47Å; H300-S318 PolarHBondContact O-OG 3.23Å; R301-S318 VanDerWaalsContact O-CA 3.31Å; R301-S318 WeakPolarHBondContact O-CA 3.16Å; R301-S318 WeakPolarHBondContact O-CB 3.39Å; R301-S318 PolarHBondContact O-OG 3.3Å; S318-D320 WeakPolarHBondContact CB-OD1 3.49Å; S318-D320 PolarHBondContact O-N 2.63Å; S318-D320 PolarHBondContact OG-N 3.05Å; S318-D320 PolarHBondContact OG-OD1 3.02Å; S318-S321 PolarHBondContact O-N 3.42Å; S318-C322 PolarHBondContact N-O 3.19Å; S318-C322 VanDerWaalsContact N-O 3.14Å; S318-I357 PolarHBondContact O-N 2.81Å |
| 319 | Y | 92.6 | Very high | 92 | Very high | 33 Ų | 33 | 10.3 Ų | 10.3 | 13% | 0.129 | 5% | 0.051 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -8.4 | 175.2 | -79.4 | 26.2 | 0 | 0 | 0 | 112.5 | H300 R301 S321 N353 H356 I357 Y358 | H300-Y319 AromaticContact CE1-CD2 3.89Å; H300-Y319 WeakPolarHBondContact ND1-CB 3.05Å; H300-Y319 AromaticContact ND1-CD2 3.9Å; H300-Y319 AromaticContact ND1-CG 3.91Å; R301-Y319 HydrophobicContact CB-CG 4.43Å; R301-Y319 PolarHBondContact O-N 2.79Å; Y319-S321 PolarHBondContact O-N 2.6Å; Y319-N353 PolarHBondContact O-ND2 2.9Å; Y319-N353 PolarHBondContact O-OD1 2.9Å; Y319-H356 HydrophobicContact CD1-CB 4.07Å; Y319-H356 HydrophobicContact CD2-CB 4.28Å; Y319-H356 AromaticContact CD2-CD2 3.83Å; Y319-H356 AromaticContact CD2-CG 3.91Å; Y319-H356 HydrophobicContact CE1-CB 4.42Å; Y319-H356 HydrophobicContact CG-CB 3.99Å; Y319-H356 AromaticContact CG-CG 3.89Å; Y319-H356 PolarHBondContact O-CE1 3.23Å; Y319-H356 PolarHBondContact O-ND1 3.34Å; Y319-I357 WeakPolarHBondContact CE1-O 3.24Å; Y319-Y358 HydrophobicContact CE1-CD1 4.06Å; Y319-Y358 HydrophobicContact CE1-CE1 4.26Å; Y319-Y358 AromaticContact CZ-CE1 3.95Å |
| 320 | D | 92.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 8.2 Ų | 8.2 | 0% | 0 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | 8.3 | 169.4 | 70.3 | -8.3 | 0 | 0 | 0 | 113.8 | H298 Y299 H300 S318 C322 W338 R349 | H298-D320 WeakPolarHBondContact CA-OD2 3.28Å; H298-D320 WeakPolarHBondContact CB-OD2 3Å; H298-D320 IonicContact CG-OD2 3.95Å; H298-D320 IonicContact ND1-OD1 3.45Å; H298-D320 PolarHBondContact ND1-OD1 3.5Å; H298-D320 IonicContact ND1-OD2 3.58Å; H298-D320 PolarHBondContact ND1-OD2 2.95Å; Y299-D320 PolarHBondContact N-OD2 3.49Å; H300-D320 HydrophobicContact CB-CB 3.99Å; S318-D320 WeakPolarHBondContact CB-OD1 3.49Å; S318-D320 PolarHBondContact O-N 2.63Å; S318-D320 PolarHBondContact OG-N 3.05Å; S318-D320 PolarHBondContact OG-OD1 3.02Å; D320-C322 PolarHBondContact O-N 3.32Å; D320-C322 WeakPolarHBondContact OD1-CB 3.49Å; D320-C322 PolarHBondContact OD1-N 3.32Å; D320-W338 WeakPolarHBondContact O-CZ3 3.33Å; D320-R349 HydrophobicContact CB-CB 4.19Å; D320-R349 HydrophobicContact CB-CG 4.41Å |
| 321 | S | 92 | Very high | 91.7 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.044 | C | C | . | . | S | Bend | trans | 68.3 | 15.2 | -176.7 | 76.2 | 0 | 0 | 0 | 0 | 115.3 | S318 Y319 H339 H355 | S318-S321 PolarHBondContact O-N 3.42Å; Y319-S321 PolarHBondContact O-N 2.6Å; S321-H339 PolarHBondContact O-N 3.06Å; S321-H355 WeakPolarHBondContact CA-O 3.27Å; S321-H355 WeakPolarHBondContact CB-O 3.34Å |
| 322 | C | 93.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 136.3 | -179.8 | -169.1 | 0 | 0 | 0 | 0 | 111.9 | H298 S318 D320 F337 W338 I357 | H298-C322 PolarHBondContact CE1-O 2.85Å; S318-C322 PolarHBondContact N-O 3.19Å; S318-C322 VanDerWaalsContact N-O 3.14Å; D320-C322 PolarHBondContact O-N 3.32Å; D320-C322 WeakPolarHBondContact OD1-CB 3.49Å; D320-C322 PolarHBondContact OD1-N 3.32Å; C322-F337 WeakPolarHBondContact CA-O 3.13Å; C322-W338 HydrophobicContact CB-CD2 4.24Å; C322-W338 HydrophobicContact CB-CE3 3.7Å; C322-W338 HydrophobicContact CB-CH2 3.9Å; C322-W338 HydrophobicContact CB-CZ2 4.4Å; C322-W338 HydrophobicContact CB-CZ3 3.52Å; C322-I357 WeakPolarHBondContact O-CD1 3.39Å |
| 323 | C | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 14.7 Ų | 14.7 | 0% | 0 | 8% | 0.075 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 130.5 | 153.3 | -66.7 | 0 | 0 | 0 | 0 | 109.2 | T316 R336 F337 L360 F369 T371 | T316-C323 CarbonylContact O-C 3.51Å; T316-C323 WeakPolarHBondContact O-CA 3.19Å; C323-R336 CarbonylContact O-C 3.42Å; C323-R336 WeakPolarHBondContact O-CA 3.41Å; C323-F337 HydrophobicContact CB-CB 4.32Å; C323-F337 HydrophobicContact CB-CD2 4.35Å; C323-F337 PolarHBondContact N-O 3.25Å; C323-F337 PolarHBondContact O-N 2.81Å; C323-L360 HydrophobicContact CB-CD1 4.5Å; C323-F369 HydrophobicContact CB-CE2 3.91Å; C323-F369 HydrophobicContact CB-CZ 4.18Å; C323-T371 VanDerWaalsContact SG-CG2 3.52Å |
| 324 | A | 94.5 | Very high | 91.6 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 141.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V315 T316 W326 R336 | V315-A324 WeakPolarHBondContact CA-O 3.09Å; T316-A324 PolarHBondContact N-O 3.2Å; T316-A324 PolarHBondContact O-N 2.97Å; A324-W326 HydrophobicContact CB-CZ2 3.54Å; A324-R336 HydrophobicContact CB-CG 4.3Å |
| 325 | V | 94.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 129.4 | 174.3 | 179.2 | 0 | 0 | 0 | 0 | 108.5 | L313 L314 V315 L334 H335 F337 L383 | L313-V325 HydrophobicContact CB-CG1 4.37Å; L313-V325 HydrophobicContact CD1-CG1 4.24Å; L313-V325 HydrophobicContact CD2-CG1 3.97Å; L313-V325 HydrophobicContact CG-CG1 4.43Å; L314-V325 CarbonylContact O-C 3.59Å; L314-V325 WeakPolarHBondContact O-CA 3.46Å; V315-V325 HydrophobicContact CG1-CG2 4.14Å; V315-V325 HydrophobicContact CG2-CG1 4.44Å; V315-V325 HydrophobicContact CG2-CG2 4.03Å; V325-L334 PolarHBondContact O-N 3.15Å; V325-H335 WeakPolarHBondContact CB-CE1 3.44Å; V325-H335 WeakPolarHBondContact CB-NE2 3.25Å; V325-H335 VanDerWaalsContact CG1-CE1 3.46Å; V325-H335 WeakPolarHBondContact CG1-CE1 3.43Å; V325-H335 VanDerWaalsContact CG2-NE2 3.26Å; V325-H335 WeakPolarHBondContact CG2-NE2 3.33Å; V325-H335 PolarHBondContact N-O 3.5Å; V325-H335 PolarHBondContact O-N 3.21Å; V325-F337 HydrophobicContact CG2-CD2 4.45Å; V325-F337 HydrophobicContact CG2-CE2 3.75Å; V325-L383 HydrophobicContact CG2-CD2 4.22Å |
| 326 | W | 93.5 | Very high | 91.1 | Very high | 12 Ų | 12 | 22.1 Ų | 22.1 | 5% | 0.045 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 140.9 | -173.4 | -46.5 | 83.7 | 0 | 0 | 0 | 109.9 | I294 L313 L314 T316 A324 Q332 C333 | I294-W326 HydrophobicContact CD1-CD2 3.89Å; I294-W326 HydrophobicContact CD1-CE3 4.02Å; I294-W326 HydrophobicContact CD1-CG 4.16Å; I294-W326 HydrophobicContact CG2-CD2 4.46Å; I294-W326 HydrophobicContact CG2-CE3 3.96Å; I294-W326 HydrophobicContact CG2-CH2 3.56Å; I294-W326 HydrophobicContact CG2-CZ2 4.02Å; I294-W326 HydrophobicContact CG2-CZ3 3.47Å; I294-W326 VanDerWaalsContact CG2-CZ3 3.47Å; L313-W326 WeakPolarHBondContact CA-O 3.5Å; L314-W326 HydrophobicContact CB-CB 4.15Å; L314-W326 HydrophobicContact CD2-CG 4.48Å; L314-W326 PolarHBondContact N-O 3.12Å; L314-W326 VanDerWaalsContact O-CD1 3.26Å; L314-W326 PolarHBondContact O-N 3.34Å; T316-W326 PolarHBondContact OG1-NE1 3.38Å; A324-W326 HydrophobicContact CB-CZ2 3.54Å; W326-Q332 CarbonylContact C-O 3.51Å; W326-Q332 WeakPolarHBondContact CA-O 3.17Å; W326-C333 HydrophobicContact CD2-CB 4.49Å; W326-C333 HydrophobicContact CE3-CB 3.76Å; W326-C333 HydrophobicContact CH2-CB 3.89Å; W326-C333 HydrophobicContact CZ3-CB 3.43Å; W326-C333 VanDerWaalsContact CZ3-CB 3.43Å |
| 327 | S | 88.1 | Confident | 90.9 | Very high | 14 Ų | 14 | 22.2 Ų | 22.2 | 10% | 0.098 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 152.9 | 170.3 | 74.6 | 0 | 0 | 0 | 0 | 111 | E330 Y331 Q332 | S327-E330 PolarHBondContact OG-OE2 2.96Å; S327-Y331 WeakPolarHBondContact O-CA 3.18Å; S327-Y331 PolarHBondContact O-N 2.93Å; S327-Q332 PolarHBondContact N-O 2.8Å; S327-Q332 PolarHBondContact OG-N 3.07Å |
| 328 | V | 87.7 | Confident | 90.7 | Very high | 4 Ų | 4 | 23.6 Ų | 23.6 | 2% | 0.024 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -126.2 | 129.4 | 169.8 | -179 | 0 | 0 | 0 | 0 | 107.3 | F307 G311 S312 L314 Y331 | F307-V328 HydrophobicContact CD1-CG2 4.1Å; F307-V328 HydrophobicContact CE1-CG2 3.82Å; G311-V328 WeakPolarHBondContact O-CB 3.33Å; G311-V328 WeakPolarHBondContact O-CG1 3.47Å; S312-V328 WeakPolarHBondContact O-CB 3.3Å; S312-V328 PolarHBondContact O-N 2.79Å; L314-V328 HydrophobicContact CB-CG2 4.19Å; V328-Y331 HydrophobicContact CG2-CD1 4.46Å; V328-Y331 HydrophobicContact CG2-CE1 3.94Å |
| 329 | P | 82.5 | Confident | 90.4 | Very high | 9 Ų | 9 | 24 Ų | 24 | 6% | 0.058 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -95.5 | 0.7 | 13.4 | 39.3 | -40.1 | 0 | 0 | 0 | 116.3 | Y331 I455 L456 | P329-Y331 WeakPolarHBondContact O-CD2 3.48Å; P329-Y331 VanDerWaalsContact O-CE2 3.25Å; P329-Y331 WeakPolarHBondContact O-CE2 3.4Å; P329-Y331 PolarHBondContact O-N 3.33Å; P329-I455 HydrophobicContact CG-CG2 3.79Å; P329-L456 HydrophobicContact CB-CD2 3.67Å |
| 330 | E | 81.4 | Confident | 90.1 | Very high | 40 Ų | 40 | 25 Ų | 25 | 19% | 0.187 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.6 | -17.8 | -174 | -53.5 | 73.7 | -154.7 | 0 | 0 | 113 | S327 Q332 Y482 | S327-E330 PolarHBondContact OG-OE2 2.96Å; E330-Q332 HydrophobicContact CB-CG 3.88Å; E330-Q332 PolarHBondContact O-N 3.16Å; E330-Y482 WeakPolarHBondContact OE1-CD2 3.43Å; E330-Y482 VanDerWaalsContact OE1-CE2 3.23Å; E330-Y482 WeakPolarHBondContact OE1-CE2 3.43Å |
| 331 | Y | 89.5 | Confident | 89.7 | Confident | 14 Ų | 14 | 28.2 Ų | 28.2 | 6% | 0.055 | 16% | 0.156 | C | C | . | . | trans | 53.3 | 34.6 | -176.4 | -61.3 | -77 | 0 | 0 | 0 | 112.8 | V281 A292 I294 F307 L314 S327 V328 P329 | V281-Y331 HydrophobicContact CB-CE2 4.21Å; V281-Y331 HydrophobicContact CG1-CE2 4.1Å; V281-Y331 WeakPolarHBondContact CG1-OH 3.49Å; V281-Y331 HydrophobicContact CG2-CD1 3.93Å; V281-Y331 HydrophobicContact CG2-CD2 4.12Å; V281-Y331 HydrophobicContact CG2-CE1 3.48Å; V281-Y331 VanDerWaalsContact CG2-CE1 3.48Å; V281-Y331 HydrophobicContact CG2-CE2 3.71Å; V281-Y331 HydrophobicContact CG2-CG 4.23Å; A292-Y331 HydrophobicContact CB-CD2 3.35Å; A292-Y331 HydrophobicContact CB-CE2 3.73Å; A292-Y331 HydrophobicContact CB-CG 4.23Å; I294-Y331 HydrophobicContact CD1-CD1 4.26Å; F307-Y331 HydrophobicContact CE1-CE1 4.08Å; F307-Y331 HydrophobicContact CZ-CE1 4.31Å; L314-Y331 HydrophobicContact CD2-CD1 4.14Å; L314-Y331 HydrophobicContact CD2-CE1 4.22Å; S327-Y331 WeakPolarHBondContact O-CA 3.18Å; S327-Y331 PolarHBondContact O-N 2.93Å; V328-Y331 HydrophobicContact CG2-CD1 4.46Å; V328-Y331 HydrophobicContact CG2-CE1 3.94Å; P329-Y331 WeakPolarHBondContact O-CD2 3.48Å; P329-Y331 VanDerWaalsContact O-CE2 3.25Å; P329-Y331 WeakPolarHBondContact O-CE2 3.4Å; P329-Y331 PolarHBondContact O-N 3.33Å | ||
| 332 | Q | 88.1 | Confident | 89.3 | Confident | 99 Ų | 99 | 37.7 Ų | 37.7 | 46% | 0.463 | 19% | 0.192 | S | C | . | . | trans | -85 | 137.8 | 174.8 | -67.4 | -179.1 | 13.7 | 0 | 0 | 110.1 | W326 S327 E330 L334 | W326-Q332 CarbonylContact C-O 3.51Å; W326-Q332 WeakPolarHBondContact CA-O 3.17Å; S327-Q332 PolarHBondContact N-O 2.8Å; S327-Q332 PolarHBondContact OG-N 3.07Å; E330-Q332 HydrophobicContact CB-CG 3.88Å; E330-Q332 PolarHBondContact O-N 3.16Å; Q332-L334 PolarHBondContact O-N 3.23Å; Q332-L334 VanDerWaalsContact O-N 3.12Å | ||
| 333 | C | 90.8 | Very high | 88.9 | Confident | 51 Ų | 51 | 42.8 Ų | 42.8 | 35% | 0.345 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 111.2 | 174.2 | -171.2 | 0 | 0 | 0 | 0 | 109 | W326 | W326-C333 HydrophobicContact CD2-CB 4.49Å; W326-C333 HydrophobicContact CE3-CB 3.76Å; W326-C333 HydrophobicContact CH2-CB 3.89Å; W326-C333 HydrophobicContact CZ3-CB 3.43Å; W326-C333 VanDerWaalsContact CZ3-CB 3.43Å |
| 334 | L | 89.8 | Confident | 88.4 | Confident | 96 Ų | 96 | 43.1 Ų | 43.1 | 50% | 0.503 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | -45.2 | 176.5 | -64.3 | 177.5 | 0 | 0 | 0 | 110.6 | L313 V325 Q332 | L313-L334 HydrophobicContact CD2-CD1 3.65Å; V325-L334 PolarHBondContact O-N 3.15Å; Q332-L334 PolarHBondContact O-N 3.23Å; Q332-L334 VanDerWaalsContact O-N 3.12Å |
| 335 | H | 89.1 | Confident | 87.9 | Confident | 31 Ų | 31 | 46.2 Ų | 46.2 | 14% | 0.144 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.8 | 162.7 | -177.7 | 55.1 | -81.9 | 0 | 0 | 0 | 112.1 | V325 F337 L383 P385 | V325-H335 WeakPolarHBondContact CB-CE1 3.44Å; V325-H335 WeakPolarHBondContact CB-NE2 3.25Å; V325-H335 VanDerWaalsContact CG1-CE1 3.46Å; V325-H335 WeakPolarHBondContact CG1-CE1 3.43Å; V325-H335 VanDerWaalsContact CG2-NE2 3.26Å; V325-H335 WeakPolarHBondContact CG2-NE2 3.33Å; V325-H335 PolarHBondContact N-O 3.5Å; V325-H335 PolarHBondContact O-N 3.21Å; H335-F337 AromaticContact CD2-CD2 3.94Å; H335-F337 AromaticContact CD2-CE2 3.07Å; H335-F337 WeakPolarHBondContact CD2-CE2 3.44Å; H335-F337 AromaticContact CD2-CZ 3.15Å; H335-F337 WeakPolarHBondContact CD2-CZ 3.09Å; H335-F337 AromaticContact NE2-CE2 3.19Å; H335-F337 WeakPolarHBondContact NE2-CE2 3.3Å; H335-F337 AromaticContact NE2-CZ 3.24Å; H335-F337 WeakPolarHBondContact NE2-CZ 3.3Å; H335-L383 PolarHBondContact CE1-O 2.87Å; H335-L383 PolarHBondContact NE2-O 3.31Å; H335-P385 HydrophobicContact CB-CB 4.41Å |
| 336 | R | 92.2 | Very high | 87.1 | Confident | 60 Ų | 60 | 52.3 Ų | 52.3 | 23% | 0.226 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.8 | -177.6 | -70.3 | -177.6 | -178.8 | -92.2 | 0.5 | 110.3 | G297 C323 A324 | G297-R336 VanDerWaalsContact O-CZ 3.23Å; G297-R336 PolarHBondContact O-NH1 3.39Å; G297-R336 PolarHBondContact O-NH2 2.92Å; C323-R336 CarbonylContact O-C 3.42Å; C323-R336 WeakPolarHBondContact O-CA 3.41Å; A324-R336 HydrophobicContact CB-CG 4.3Å |
| 337 | F | 92.1 | Very high | 86.4 | Confident | 3 Ų | 3 | 56.6 Ų | 56.6 | 1% | 0.013 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.7 | 172.9 | -54.5 | -88.7 | 0 | 0 | 0 | 109.4 | C322 C323 V325 H335 F369 W381 P382 V386 | C322-F337 WeakPolarHBondContact CA-O 3.13Å; C323-F337 HydrophobicContact CB-CB 4.32Å; C323-F337 HydrophobicContact CB-CD2 4.35Å; C323-F337 PolarHBondContact N-O 3.25Å; C323-F337 PolarHBondContact O-N 2.81Å; V325-F337 HydrophobicContact CG2-CD2 4.45Å; V325-F337 HydrophobicContact CG2-CE2 3.75Å; H335-F337 AromaticContact CD2-CD2 3.94Å; H335-F337 AromaticContact CD2-CE2 3.07Å; H335-F337 WeakPolarHBondContact CD2-CE2 3.44Å; H335-F337 AromaticContact CD2-CZ 3.15Å; H335-F337 WeakPolarHBondContact CD2-CZ 3.09Å; H335-F337 AromaticContact NE2-CE2 3.19Å; H335-F337 WeakPolarHBondContact NE2-CE2 3.3Å; H335-F337 AromaticContact NE2-CZ 3.24Å; H335-F337 WeakPolarHBondContact NE2-CZ 3.3Å; F337-F369 HydrophobicContact CB-CZ 4.42Å; F337-F369 HydrophobicContact CD1-CZ 4.44Å; F337-F369 AromaticContact CD2-CE1 3.83Å; F337-F369 HydrophobicContact CD2-CE1 3.83Å; F337-F369 AromaticContact CD2-CZ 3.4Å; F337-F369 HydrophobicContact CD2-CZ 3.4Å; F337-F369 VanDerWaalsContact CD2-CZ 3.4Å; F337-F369 HydrophobicContact CE1-CE1 4.44Å; F337-F369 AromaticContact CE2-CE1 3.41Å; F337-F369 HydrophobicContact CE2-CE1 3.41Å; F337-F369 VanDerWaalsContact CE2-CE1 3.41Å; F337-F369 AromaticContact CE2-CZ 3.53Å; F337-F369 HydrophobicContact CE2-CZ 3.53Å; F337-F369 HydrophobicContact CG-CE1 4.46Å; F337-F369 AromaticContact CG-CZ 3.87Å; F337-F369 HydrophobicContact CG-CZ 3.87Å; F337-F369 AromaticContact CZ-CE1 3.77Å; F337-F369 HydrophobicContact CZ-CE1 3.77Å; F337-F369 HydrophobicContact CZ-CZ 4.14Å; F337-W381 HydrophobicContact CB-CD2 4.37Å; F337-W381 HydrophobicContact CB-CE3 4.08Å; F337-W381 HydrophobicContact CB-CH2 4.35Å; F337-W381 HydrophobicContact CB-CZ3 4.07Å; F337-W381 HydrophobicContact CD1-CD2 4.34Å; F337-W381 AromaticContact CD1-CE3 3.6Å; F337-W381 HydrophobicContact CD1-CE3 3.6Å; F337-W381 AromaticContact CD1-CZ3 4Å; F337-W381 HydrophobicContact CD1-CZ3 4Å; F337-W381 HydrophobicContact CE1-CE3 4.34Å; F337-W381 HydrophobicContact CG-CE3 4.12Å; F337-W381 HydrophobicContact CG-CZ3 4.47Å; F337-P382 WeakPolarHBondContact CE1-O 3.4Å; F337-P382 WeakPolarHBondContact CZ-O 3.35Å; F337-V386 WeakPolarHBondContact CD1-O 3.33Å; F337-V386 WeakPolarHBondContact CE1-O 3.31Å |
| 338 | W | 91.2 | Very high | 86 | Confident | 29 Ų | 29 | 59.2 Ų | 59.2 | 11% | 0.11 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.8 | -178.6 | -65.2 | 100.9 | 0 | 0 | 0 | 110.5 | D320 C322 M340 G341 R342 E343 P344 | D320-W338 WeakPolarHBondContact O-CZ3 3.33Å; C322-W338 HydrophobicContact CB-CD2 4.24Å; C322-W338 HydrophobicContact CB-CE3 3.7Å; C322-W338 HydrophobicContact CB-CH2 3.9Å; C322-W338 HydrophobicContact CB-CZ2 4.4Å; C322-W338 HydrophobicContact CB-CZ3 3.52Å; W338-M340 PolarHBondContact O-N 3.24Å; W338-G341 PolarHBondContact O-N 2.85Å; W338-R342 WeakPolarHBondContact CB-O 3.4Å; W338-E343 HydrophobicContact CD2-CB 4.3Å; W338-E343 HydrophobicContact CH2-CG 4.15Å; W338-E343 HydrophobicContact CZ2-CB 4.07Å; W338-E343 HydrophobicContact CZ2-CG 3.63Å; W338-P344 HydrophobicContact CE3-CG 4.01Å; W338-P344 HydrophobicContact CZ3-CG 3.8Å |
| 339 | H | 89.3 | Confident | 85.6 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 4% | 0.037 | 32% | 0.315 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -20.1 | 179.3 | -82.7 | -129 | 0 | 0 | 0 | 113.4 | S321 G341 H355 T371 C373 R379 W381 | S321-H339 PolarHBondContact O-N 3.06Å; H339-G341 PolarHBondContact O-N 3.27Å; H339-H355 HydrophobicContact CB-CB 4.48Å; H339-T371 PolarHBondContact CE1-OG1 2.88Å; H339-T371 PolarHBondContact NE2-OG1 2.9Å; H339-C373 WeakPolarHBondContact ND1-CB 3.16Å; H339-R379 PolarHBondContact ND1-NH1 3.37Å; H339-R379 VanDerWaalsContact ND1-NH1 3.16Å; H339-W381 AromaticContact CD2-CZ2 3.64Å; H339-W381 AromaticContact CE1-NE1 3.96Å; H339-W381 AromaticContact NE2-CE2 3.8Å; H339-W381 AromaticContact NE2-CZ2 3.69Å; H339-W381 AromaticContact NE2-NE1 3.41Å; H339-W381 PolarHBondContact NE2-NE1 2.9Å |
| 340 | M | 86.3 | Confident | 85.1 | Confident | 54 Ų | 54 | 61.7 Ų | 61.7 | 27% | 0.266 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 3.8 | 172.9 | -67.3 | -172.8 | 149.6 | 0 | 0 | 113.7 | W338 R342 P344 N353 H355 | W338-M340 PolarHBondContact O-N 3.24Å; M340-R342 PolarHBondContact O-N 2.82Å; M340-P344 HydrophobicContact SD-CB 3.65Å; M340-P344 HydrophobicContact SD-CG 4Å; M340-N353 HydrophobicContact CE-CB 3.43Å; M340-N353 VanDerWaalsContact CE-CB 3.43Å; M340-N353 WeakPolarHBondContact CE-O 3.32Å; M340-N353 HydrophobicContact SD-CB 4.45Å; M340-H355 HydrophobicContact CE-CB 4.36Å; M340-H355 WeakPolarHBondContact CE-CD2 3.33Å; M340-H355 HydrophobicContact CG-CB 4.28Å |
| 341 | G | 82.2 | Confident | 84.6 | Confident | 69 Ų | 69 | 60.8 Ų | 60.8 | 71% | 0.711 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 73.6 | -18.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.6 | W338 H339 | W338-G341 PolarHBondContact O-N 2.85Å; H339-G341 PolarHBondContact O-N 3.27Å |
| 342 | R | 83.7 | Confident | 83.9 | Confident | 198 Ų | 198 | 65.3 Ų | 65.3 | 75% | 0.747 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -139.7 | 162.6 | 172.6 | 65.1 | 179.5 | 178.3 | -178.5 | -0.8 | 110.7 | W338 M340 P344 | W338-R342 WeakPolarHBondContact CB-O 3.4Å; M340-R342 PolarHBondContact O-N 2.82Å; R342-P344 WeakPolarHBondContact O-CD 3.39Å |
| 343 | E | 85.2 | Confident | 83.7 | Confident | 108 Ų | 108 | 61.3 Ų | 61.3 | 51% | 0.505 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 117.7 | 171.2 | 177 | 167.3 | -169.9 | 0 | 0 | 110.1 | W338 R349 | W338-E343 HydrophobicContact CD2-CB 4.3Å; W338-E343 HydrophobicContact CH2-CG 4.15Å; W338-E343 HydrophobicContact CZ2-CB 4.07Å; W338-E343 HydrophobicContact CZ2-CG 3.63Å; E343-R349 VanDerWaalsContact CG-CZ 3.48Å; E343-R349 IonicContact OE1-CZ 3.82Å; E343-R349 IonicContact OE1-NH1 3.93Å; E343-R349 PolarHBondContact OE1-NH1 2.86Å; E343-R349 IonicContact OE1-NH2 2.81Å; E343-R349 PolarHBondContact OE1-NH2 2.82Å |
| 344 | P | 84.3 | Confident | 83.4 | Confident | 6 Ų | 6 | 60.7 Ų | 60.7 | 4% | 0.039 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 161 | -178.1 | 26.7 | -27.9 | 0 | 0 | 0 | 112 | W338 M340 R342 L348 R349 | W338-P344 HydrophobicContact CE3-CG 4.01Å; W338-P344 HydrophobicContact CZ3-CG 3.8Å; M340-P344 HydrophobicContact SD-CB 3.65Å; M340-P344 HydrophobicContact SD-CG 4Å; R342-P344 WeakPolarHBondContact O-CD 3.39Å; P344-L348 HydrophobicContact CB-CB 3.95Å; P344-L348 HydrophobicContact CB-CD1 4.25Å; P344-R349 HydrophobicContact CB-CG 4.45Å; P344-R349 HydrophobicContact CG-CG 3.7Å; P344-R349 VanDerWaalsContact O-CZ 3.25Å; P344-R349 PolarHBondContact O-NE 3.27Å; P344-R349 PolarHBondContact O-NH2 2.85Å |
| 345 | S | 83.7 | Confident | 83.3 | Confident | 66 Ų | 66 | 58.3 Ų | 58.3 | 46% | 0.462 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -64 | 156.5 | 172.6 | 62.3 | 0 | 0 | 0 | 0 | 111.5 | P347 L348 R349 | S345-P347 VanDerWaalsContact C-CD 3.46Å; S345-P347 VanDerWaalsContact C-N 3.35Å; S345-L348 WeakPolarHBondContact O-CB 3.36Å; S345-L348 PolarHBondContact O-N 2.89Å; S345-R349 PolarHBondContact O-N 2.88Å; S345-R349 VanDerWaalsContact O-N 3.12Å |
| 346 | I | 78.4 | Confident | 83.3 | Confident | 127 Ų | 127 | 58.1 Ų | 58.1 | 65% | 0.651 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -53.8 | -42.7 | -176.3 | -59.5 | 156 | 0 | 0 | 0 | 112.7 | L348 R349 G350 | I346-L348 VanDerWaalsContact C-N 3.33Å; I346-L348 PolarHBondContact O-N 3.16Å; I346-R349 WeakPolarHBondContact O-CB 2.93Å; I346-R349 PolarHBondContact O-N 3.38Å; I346-G350 PolarHBondContact O-N 2.48Å |
| 347 | P | 79.9 | Confident | 83.3 | Confident | 103 Ų | 103 | 55.2 Ų | 55.2 | 67% | 0.669 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -62 | -37.4 | 177.6 | -23.6 | 34.8 | 0 | 0 | 0 | 113.6 | S345 G350 | S345-P347 VanDerWaalsContact C-CD 3.46Å; S345-P347 VanDerWaalsContact C-N 3.35Å; P347-G350 PolarHBondContact O-N 2.92Å |
| 348 | L | 77.9 | Confident | 83.2 | Confident | 69 Ų | 69 | 56.2 Ų | 56.2 | 36% | 0.361 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 177.4 | -71.2 | 171.8 | 0 | 0 | 0 | 111.2 | P344 S345 I346 G350 G351 N353 | P344-L348 HydrophobicContact CB-CB 3.95Å; P344-L348 HydrophobicContact CB-CD1 4.25Å; S345-L348 WeakPolarHBondContact O-CB 3.36Å; S345-L348 PolarHBondContact O-N 2.89Å; I346-L348 VanDerWaalsContact C-N 3.33Å; I346-L348 PolarHBondContact O-N 3.16Å; L348-G350 PolarHBondContact O-N 2.96Å; L348-G351 PolarHBondContact O-N 2.88Å; L348-N353 HydrophobicContact CB-CB 4.5Å; L348-N353 VanDerWaalsContact O-CB 3.3Å; L348-N353 WeakPolarHBondContact O-CB 3.48Å; L348-N353 PolarHBondContact O-ND2 2.87Å |
| 349 | R | 80.1 | Confident | 83.1 | Confident | 15 Ų | 15 | 55 Ų | 55 | 6% | 0.057 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62.3 | -27 | 173.5 | -68.1 | -173.5 | -145.1 | -179 | 16.2 | 113 | Y299 D320 E343 P344 S345 I346 G351 | Y299-R349 HydrophobicContact CG-CB 4.23Å; Y299-R349 VanDerWaalsContact CZ-NH1 3.28Å; Y299-R349 PolarHBondContact OH-NH1 2.86Å; D320-R349 HydrophobicContact CB-CB 4.19Å; D320-R349 HydrophobicContact CB-CG 4.41Å; E343-R349 VanDerWaalsContact CG-CZ 3.48Å; E343-R349 IonicContact OE1-CZ 3.82Å; E343-R349 IonicContact OE1-NH1 3.93Å; E343-R349 PolarHBondContact OE1-NH1 2.86Å; E343-R349 IonicContact OE1-NH2 2.81Å; E343-R349 PolarHBondContact OE1-NH2 2.82Å; P344-R349 HydrophobicContact CB-CG 4.45Å; P344-R349 HydrophobicContact CG-CG 3.7Å; P344-R349 VanDerWaalsContact O-CZ 3.25Å; P344-R349 PolarHBondContact O-NE 3.27Å; P344-R349 PolarHBondContact O-NH2 2.85Å; S345-R349 PolarHBondContact O-N 2.88Å; S345-R349 VanDerWaalsContact O-N 3.12Å; I346-R349 WeakPolarHBondContact O-CB 2.93Å; I346-R349 PolarHBondContact O-N 3.38Å; R349-G351 VanDerWaalsContact C-N 3.27Å; R349-G351 PolarHBondContact O-N 3.08Å |
| 350 | G | 71.9 | Confident | 83.4 | Confident | 50 Ų | 50 | 54.9 Ų | 54.9 | 52% | 0.515 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -5.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | H300 I346 P347 L348 | H300-G350 PolarHBondContact CD2-O 2.82Å; H300-G350 VanDerWaalsContact CD2-O 3.32Å; I346-G350 PolarHBondContact O-N 2.48Å; P347-G350 PolarHBondContact O-N 2.92Å; L348-G350 PolarHBondContact O-N 2.96Å |
| 351 | G | 71.3 | Confident | 83.8 | Confident | 21 Ų | 21 | 53.1 Ų | 53.1 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 141.7 | -19.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | L348 R349 N353 H356 | L348-G351 PolarHBondContact O-N 2.88Å; R349-G351 VanDerWaalsContact C-N 3.27Å; R349-G351 PolarHBondContact O-N 3.08Å; G351-N353 PolarHBondContact O-N 2.82Å; G351-H356 PolarHBondContact O-CE1 3.02Å; G351-H356 PolarHBondContact O-NE2 3.02Å; G351-H356 VanDerWaalsContact O-NE2 3.16Å |
| 352 | S | 75.4 | Confident | 84.3 | Confident | 109 Ų | 109 | 50.7 Ų | 50.7 | 76% | 0.762 | 29% | 0.293 | S | S | * | . | trans | -99.1 | 48.8 | -179.9 | -169.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 353 | N | 82.3 | Confident | 84.7 | Confident | 14 Ų | 14 | 41.5 Ų | 41.5 | 8% | 0.075 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -96.2 | -25.8 | -179.1 | 57 | 58.7 | 0 | 0 | 0 | 114 | Y319 M340 L348 G351 H355 H356 | Y319-N353 PolarHBondContact O-ND2 2.9Å; Y319-N353 PolarHBondContact O-OD1 2.9Å; M340-N353 HydrophobicContact CE-CB 3.43Å; M340-N353 VanDerWaalsContact CE-CB 3.43Å; M340-N353 WeakPolarHBondContact CE-O 3.32Å; M340-N353 HydrophobicContact SD-CB 4.45Å; L348-N353 HydrophobicContact CB-CB 4.5Å; L348-N353 VanDerWaalsContact O-CB 3.3Å; L348-N353 WeakPolarHBondContact O-CB 3.48Å; L348-N353 PolarHBondContact O-ND2 2.87Å; G351-N353 PolarHBondContact O-N 2.82Å; N353-H355 PolarHBondContact O-CD2 3Å; N353-H355 VanDerWaalsContact O-CD2 3.26Å; N353-H355 PolarHBondContact O-N 3.09Å; N353-H355 PolarHBondContact OD1-N 2.9Å; N353-H356 PolarHBondContact OD1-ND1 3.46Å; N353-H356 VanDerWaalsContact OD1-ND1 3.13Å |
| 354 | G | 84.2 | Confident | 84.8 | Confident | 38 Ų | 38 | 37.7 Ų | 37.7 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | S | Bend | trans | 71.4 | 10.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 355 | H | 88.4 | Confident | 84.8 | Confident | 47 Ų | 47 | 37.8 Ų | 37.8 | 22% | 0.218 | 24% | 0.244 | C | C | . | . | trans | -125.2 | 40.7 | 179.1 | -69.4 | -95.8 | 0 | 0 | 0 | 110.5 | S321 H339 M340 N353 I357 C373 D375 | S321-H355 WeakPolarHBondContact CA-O 3.27Å; S321-H355 WeakPolarHBondContact CB-O 3.34Å; H339-H355 HydrophobicContact CB-CB 4.48Å; M340-H355 HydrophobicContact CE-CB 4.36Å; M340-H355 WeakPolarHBondContact CE-CD2 3.33Å; M340-H355 HydrophobicContact CG-CB 4.28Å; N353-H355 PolarHBondContact O-CD2 3Å; N353-H355 VanDerWaalsContact O-CD2 3.26Å; N353-H355 PolarHBondContact O-N 3.09Å; N353-H355 PolarHBondContact OD1-N 2.9Å; H355-I357 PolarHBondContact O-N 3.44Å; H355-C373 VanDerWaalsContact CA-SG 3.51Å; H355-C373 PolarHBondContact O-SG 3.13Å; H355-D375 IonicContact CE1-OD2 3.17Å; H355-D375 PolarHBondContact CE1-OD2 2.7Å; H355-D375 IonicContact CG-OD2 2.92Å; H355-D375 IonicContact ND1-OD2 3.94Å; H355-D375 PolarHBondContact ND1-OD2 3.4Å | ||
| 356 | H | 90 | Very high | 84.9 | Confident | 26 Ų | 26 | 35.1 Ų | 35.1 | 12% | 0.12 | 22% | 0.224 | C | C | . | . | trans | -64.9 | 127 | 175.1 | -64.3 | -17.5 | 0 | 0 | 0 | 110.9 | Y319 G351 N353 Y358 C373 E374 | Y319-H356 HydrophobicContact CD1-CB 4.07Å; Y319-H356 HydrophobicContact CD2-CB 4.28Å; Y319-H356 AromaticContact CD2-CD2 3.83Å; Y319-H356 AromaticContact CD2-CG 3.91Å; Y319-H356 HydrophobicContact CE1-CB 4.42Å; Y319-H356 HydrophobicContact CG-CB 3.99Å; Y319-H356 AromaticContact CG-CG 3.89Å; Y319-H356 PolarHBondContact O-CE1 3.23Å; Y319-H356 PolarHBondContact O-ND1 3.34Å; G351-H356 PolarHBondContact O-CE1 3.02Å; G351-H356 PolarHBondContact O-NE2 3.02Å; G351-H356 VanDerWaalsContact O-NE2 3.16Å; N353-H356 PolarHBondContact OD1-ND1 3.46Å; N353-H356 VanDerWaalsContact OD1-ND1 3.13Å; H356-Y358 HydrophobicContact CB-CE1 4.16Å; H356-Y358 HydrophobicContact CB-CE2 4.43Å; H356-C373 CarbonylContact O-C 3.57Å; H356-C373 WeakPolarHBondContact O-CA 3.33Å; H356-E374 HydrophobicContact CB-CB 4.17Å; H356-E374 IonicContact CD2-OE2 3.67Å; H356-E374 PolarHBondContact CD2-OE2 2.99Å; H356-E374 IonicContact CG-OE2 3.52Å; H356-E374 PolarHBondContact O-N 2.94Å | ||
| 357 | I | 91.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 118.6 | 176.9 | -55.6 | 159.2 | 0 | 0 | 0 | 107.9 | S303 A317 S318 Y319 C322 H355 T371 | S303-I357 VanDerWaalsContact CB-O 3.24Å; S303-I357 WeakPolarHBondContact CB-O 3.37Å; S303-I357 PolarHBondContact OG-O 2.85Å; A317-I357 HydrophobicContact CB-CB 4.17Å; A317-I357 HydrophobicContact CB-CG2 3.64Å; S318-I357 PolarHBondContact O-N 2.81Å; Y319-I357 WeakPolarHBondContact CE1-O 3.24Å; C322-I357 WeakPolarHBondContact O-CD1 3.39Å; H355-I357 PolarHBondContact O-N 3.44Å; I357-T371 HydrophobicContact CG2-CG2 4.42Å |
| 358 | Y | 89.6 | Confident | 85.7 | Confident | 24 Ų | 24 | 32.4 Ų | 32.4 | 9% | 0.094 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | -33.6 | -175.6 | -66 | -63.1 | 0 | 0 | 0 | 113 | Y319 H356 I372 E374 K405 | Y319-Y358 HydrophobicContact CE1-CD1 4.06Å; Y319-Y358 HydrophobicContact CE1-CE1 4.26Å; Y319-Y358 AromaticContact CZ-CE1 3.95Å; H356-Y358 HydrophobicContact CB-CE1 4.16Å; H356-Y358 HydrophobicContact CB-CE2 4.43Å; Y358-I372 PolarHBondContact N-O 2.63Å; Y358-E374 HydrophobicContact CD2-CB 4.43Å; Y358-E374 HydrophobicContact CE2-CB 3.52Å; Y358-E374 HydrophobicContact CE2-CG 4.16Å; Y358-E374 PolarHBondContact OH-OE1 3.41Å; Y358-E374 PolarHBondContact OH-OE2 3Å; Y358-K405 HydrophobicContact CD1-CB 4.24Å; Y358-K405 HydrophobicContact CE1-CB 4.1Å; Y358-K405 HydrophobicContact CE1-CD 4.16Å; Y358-K405 HydrophobicContact CE2-CD 3.94Å; Y358-K405 VanDerWaalsContact OH-CD 3.3Å; Y358-K405 WeakPolarHBondContact OH-CD 3.5Å |
| 359 | G | 90.3 | Very high | 86.5 | Confident | 3 Ų | 3 | 29.1 Ų | 29.1 | 3% | 0.031 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 145.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T371 I372 | G359-T371 WeakPolarHBondContact O-CA 3.35Å; G359-I372 PolarHBondContact N-O 3.32Å; G359-I372 PolarHBondContact O-N 3.36Å |
| 360 | L | 94.2 | Very high | 87.1 | Confident | 5 Ų | 5 | 28.4 Ų | 28.4 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 134.3 | 172.5 | -177 | 146.4 | 0 | 0 | 0 | 109.9 | V304 K306 V315 A317 C323 L362 F369 I370 T371 | V304-L360 HydrophobicContact CB-CB 4.07Å; V304-L360 HydrophobicContact CG1-CB 3.92Å; K306-L360 HydrophobicContact CB-CD2 4.09Å; K306-L360 HydrophobicContact CG-CD2 3.95Å; V315-L360 HydrophobicContact CB-CD2 4.32Å; V315-L360 HydrophobicContact CG1-CD1 3.59Å; V315-L360 HydrophobicContact CG1-CD2 4.07Å; V315-L360 HydrophobicContact CG1-CG 4.49Å; A317-L360 HydrophobicContact CB-CB 4.02Å; A317-L360 HydrophobicContact CB-CD1 3.85Å; C323-L360 HydrophobicContact CB-CD1 4.5Å; L360-L362 HydrophobicContact CD2-CG 4.41Å; L360-F369 HydrophobicContact CD1-CD2 3.8Å; L360-F369 HydrophobicContact CD1-CE2 4.21Å; L360-F369 HydrophobicContact CG-CD2 4.24Å; L360-I370 VanDerWaalsContact CA-O 3.32Å; L360-I370 WeakPolarHBondContact CA-O 3.49Å; L360-T371 HydrophobicContact CD1-CG2 4.11Å; L360-T371 HydrophobicContact CG-CG2 4.45Å |
| 361 | S | 94.1 | Very high | 88.1 | Confident | 17 Ų | 17 | 26 Ų | 26 | 12% | 0.119 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 139.7 | 167.2 | -167.2 | 0 | 0 | 0 | 0 | 110.5 | F369 I370 F411 | S361-F369 CarbonylContact O-C 3.59Å; S361-F369 VanDerWaalsContact O-CA 3.31Å; S361-F369 WeakPolarHBondContact O-CA 3.35Å; S361-I370 PolarHBondContact N-O 2.96Å; S361-I370 PolarHBondContact O-N 3.45Å; S361-F411 PolarHBondContact OG-N 2.9Å |
| 362 | L | 94 | Very high | 89 | Confident | 19 Ų | 19 | 25.2 Ų | 25.2 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 145.7 | 172.6 | -66.3 | 167.4 | 0 | 0 | 0 | 109.9 | K306 F307 V315 L360 F369 L383 F411 | K306-L362 HydrophobicContact CB-CD1 3.69Å; K306-L362 HydrophobicContact CB-CG 4.14Å; F307-L362 VanDerWaalsContact O-CD1 3.31Å; F307-L362 WeakPolarHBondContact O-CD1 3.34Å; V315-L362 HydrophobicContact CB-CD2 4.16Å; V315-L362 HydrophobicContact CG2-CD1 4.23Å; V315-L362 HydrophobicContact CG2-CD2 3.62Å; V315-L362 HydrophobicContact CG2-CG 4.45Å; L360-L362 HydrophobicContact CD2-CG 4.41Å; L362-F369 HydrophobicContact CD2-CB 3.63Å; L362-L383 HydrophobicContact CD2-CD1 3.95Å; L362-L383 HydrophobicContact CD2-CD2 3.96Å; L362-L383 HydrophobicContact CD2-CG 4.42Å; L362-F411 VanDerWaalsContact C-CD2 3.46Å; L362-F411 WeakPolarHBondContact O-CD2 3.4Å |
| 363 | S | 91 | Very high | 89.7 | Confident | 4 Ų | 4 | 20 Ų | 20 | 3% | 0.028 | 11% | 0.106 | C | C | . | . | trans | -70.7 | 148.1 | 167.7 | 61.7 | 0 | 0 | 0 | 0 | 109.9 | D365 D366 Y368 | S363-D365 WeakPolarHBondContact CB-OD1 3.3Å; S363-D365 PolarHBondContact O-N 3.38Å; S363-D365 VanDerWaalsContact O-N 3.12Å; S363-D365 PolarHBondContact OG-OD1 2.96Å; S363-D366 PolarHBondContact O-N 3.19Å; S363-D366 VanDerWaalsContact O-N 3.1Å; S363-Y368 PolarHBondContact N-O 3.47Å; S363-Y368 PolarHBondContact OG-N 3.34Å; S363-Y368 PolarHBondContact OG-O 3.27Å | ||
| 364 | P | 88.5 | Confident | 89.9 | Confident | 28 Ų | 28 | 21.8 Ų | 21.8 | 18% | 0.182 | 11% | 0.113 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -16.2 | -176.6 | -22.7 | 34 | 0 | 0 | 0 | 115.1 | S412 P413 | P364-S412 WeakPolarHBondContact CG-O 3.38Å; P364-P413 WeakPolarHBondContact CB-O 3.3Å; P364-P413 VanDerWaalsContact CG-O 3.3Å; P364-P413 WeakPolarHBondContact CG-O 3.2Å |
| 365 | D | 83.3 | Confident | 89.9 | Confident | 9 Ų | 9 | 21.4 Ų | 21.4 | 5% | 0.048 | 10% | 0.102 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | 6.6 | 178.6 | 61.4 | -2.2 | 0 | 0 | 0 | 113.3 | S363 F367 I437 H445 | S363-D365 WeakPolarHBondContact CB-OD1 3.3Å; S363-D365 PolarHBondContact O-N 3.38Å; S363-D365 VanDerWaalsContact O-N 3.12Å; S363-D365 PolarHBondContact OG-OD1 2.96Å; D365-F367 HydrophobicContact CB-CD2 3.81Å; D365-F367 HydrophobicContact CB-CE2 4.27Å; D365-F367 WeakPolarHBondContact O-CD2 3.49Å; D365-F367 PolarHBondContact O-N 3.06Å; D365-F367 PolarHBondContact OD1-N 3.45Å; D365-F367 WeakPolarHBondContact OD2-CD2 3.39Å; D365-I437 HydrophobicContact CB-CD1 3.93Å; D365-I437 HydrophobicContact CB-CG1 3.93Å; D365-H445 PolarHBondContact O-CE1 3.04Å; D365-H445 PolarHBondContact O-NE2 3.38Å |
| 366 | D | 86.6 | Confident | 89.7 | Confident | 9 Ų | 9 | 25.2 Ų | 25.2 | 5% | 0.048 | 12% | 0.115 | C | C | . | . | S | Bend | trans | 49.9 | 30.5 | 179.3 | -59.5 | -40.8 | 0 | 0 | 0 | 113.7 | S308 K309 D310 S363 L383 H445 | S308-D366 WeakPolarHBondContact CA-OD1 3.45Å; S308-D366 WeakPolarHBondContact CB-OD1 3.27Å; K309-D366 PolarHBondContact N-OD1 2.91Å; K309-D366 PolarHBondContact N-OD2 3.36Å; D310-D366 PolarHBondContact N-OD2 3.13Å; D310-D366 VanDerWaalsContact N-OD2 3.09Å; S363-D366 PolarHBondContact O-N 3.19Å; S363-D366 VanDerWaalsContact O-N 3.1Å; D366-L383 HydrophobicContact CB-CD1 4.48Å; D366-L383 WeakPolarHBondContact O-CD1 3.42Å; D366-H445 IonicContact OD2-CD2 2.77Å; D366-H445 IonicContact OD2-NE2 3.47Å |
| 367 | F | 85.3 | Confident | 89.5 | Confident | 88 Ų | 88 | 24.3 Ų | 24.3 | 39% | 0.386 | 11% | 0.111 | S | C | . | . | S | Bend | trans | -102.1 | -27.7 | 174.3 | -71.2 | -51.8 | 0 | 0 | 0 | 114.4 | D365 L383 T441 | D365-F367 HydrophobicContact CB-CD2 3.81Å; D365-F367 HydrophobicContact CB-CE2 4.27Å; D365-F367 WeakPolarHBondContact O-CD2 3.49Å; D365-F367 PolarHBondContact O-N 3.06Å; D365-F367 PolarHBondContact OD1-N 3.45Å; D365-F367 WeakPolarHBondContact OD2-CD2 3.39Å; F367-L383 PolarHBondContact O-N 2.87Å; F367-T441 HydrophobicContact CE2-CG2 3.56Å; F367-T441 HydrophobicContact CZ-CG2 3.5Å; F367-T441 VanDerWaalsContact CZ-CG2 3.5Å |
| 368 | Y | 90.2 | Very high | 89.3 | Confident | 86 Ų | 86 | 24.3 Ų | 24.3 | 34% | 0.337 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 161.8 | -174.1 | -49.1 | -74 | 0 | 0 | 0 | 111.3 | S363 L380 W381 P382 L390 | S363-Y368 PolarHBondContact N-O 3.47Å; S363-Y368 PolarHBondContact OG-N 3.34Å; S363-Y368 PolarHBondContact OG-O 3.27Å; Y368-L380 HydrophobicContact CG-CD1 4.32Å; Y368-W381 CarbonylContact C-O 3.51Å; Y368-W381 WeakPolarHBondContact CA-O 3.43Å; Y368-W381 WeakPolarHBondContact CB-O 3.28Å; Y368-P382 HydrophobicContact CD1-CB 4.41Å; Y368-L390 HydrophobicContact CD1-CD1 3.43Å; Y368-L390 VanDerWaalsContact CD1-CD1 3.43Å; Y368-L390 HydrophobicContact CE1-CD1 3.28Å |
| 369 | F | 93.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 151.4 | 166 | 67.5 | -83.5 | 0 | 0 | 0 | 109.8 | C323 F337 L360 S361 L362 T371 W381 L383 | C323-F369 HydrophobicContact CB-CE2 3.91Å; C323-F369 HydrophobicContact CB-CZ 4.18Å; F337-F369 HydrophobicContact CB-CZ 4.42Å; F337-F369 HydrophobicContact CD1-CZ 4.44Å; F337-F369 AromaticContact CD2-CE1 3.83Å; F337-F369 HydrophobicContact CD2-CE1 3.83Å; F337-F369 AromaticContact CD2-CZ 3.4Å; F337-F369 HydrophobicContact CD2-CZ 3.4Å; F337-F369 VanDerWaalsContact CD2-CZ 3.4Å; F337-F369 HydrophobicContact CE1-CE1 4.44Å; F337-F369 AromaticContact CE2-CE1 3.41Å; F337-F369 HydrophobicContact CE2-CE1 3.41Å; F337-F369 VanDerWaalsContact CE2-CE1 3.41Å; F337-F369 AromaticContact CE2-CZ 3.53Å; F337-F369 HydrophobicContact CE2-CZ 3.53Å; F337-F369 HydrophobicContact CG-CE1 4.46Å; F337-F369 AromaticContact CG-CZ 3.87Å; F337-F369 HydrophobicContact CG-CZ 3.87Å; F337-F369 AromaticContact CZ-CE1 3.77Å; F337-F369 HydrophobicContact CZ-CE1 3.77Å; F337-F369 HydrophobicContact CZ-CZ 4.14Å; L360-F369 HydrophobicContact CD1-CD2 3.8Å; L360-F369 HydrophobicContact CD1-CE2 4.21Å; L360-F369 HydrophobicContact CG-CD2 4.24Å; S361-F369 CarbonylContact O-C 3.59Å; S361-F369 VanDerWaalsContact O-CA 3.31Å; S361-F369 WeakPolarHBondContact O-CA 3.35Å; L362-F369 HydrophobicContact CD2-CB 3.63Å; F369-T371 HydrophobicContact CD2-CG2 3.72Å; F369-T371 HydrophobicContact CE2-CG2 3.64Å; F369-W381 HydrophobicContact CD1-CB 3.73Å; F369-W381 HydrophobicContact CD2-CB 4.08Å; F369-W381 AromaticContact CD2-CD1 3.93Å; F369-W381 HydrophobicContact CD2-CG 4.31Å; F369-W381 HydrophobicContact CE1-CB 3.25Å; F369-W381 HydrophobicContact CE1-CG 4.07Å; F369-W381 HydrophobicContact CE2-CB 3.64Å; F369-W381 AromaticContact CE2-CD1 3.37Å; F369-W381 AromaticContact CE2-CG 3.61Å; F369-W381 HydrophobicContact CE2-CG 3.61Å; F369-W381 HydrophobicContact CG-CB 4.12Å; F369-W381 HydrophobicContact CZ-CB 3.19Å; F369-W381 AromaticContact CZ-CD1 3.75Å; F369-W381 HydrophobicContact CZ-CD2 4.25Å; F369-W381 AromaticContact CZ-CG 3.47Å; F369-W381 HydrophobicContact CZ-CG 3.47Å; F369-W381 VanDerWaalsContact CZ-CG 3.47Å; F369-W381 PolarHBondContact N-O 3.16Å; F369-W381 PolarHBondContact O-N 3.23Å; F369-L383 HydrophobicContact CD1-CD2 3.87Å; F369-L383 HydrophobicContact CD1-CG 3.96Å; F369-L383 HydrophobicContact CE1-CD2 4.43Å |
| 370 | I | 93.5 | Very high | 89.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 143.2 | 177.3 | -62.1 | 174.9 | 0 | 0 | 0 | 108.8 | L11 L360 S361 I378 R379 L380 L409 F411 V418 | L11-I370 HydrophobicContact CD1-CD1 3.97Å; L11-I370 HydrophobicContact CD2-CD1 4.34Å; L360-I370 VanDerWaalsContact CA-O 3.32Å; L360-I370 WeakPolarHBondContact CA-O 3.49Å; S361-I370 PolarHBondContact N-O 2.96Å; S361-I370 PolarHBondContact O-N 3.45Å; I370-I378 HydrophobicContact CG2-CG2 3.31Å; I370-R379 VanDerWaalsContact CA-O 3.27Å; I370-R379 WeakPolarHBondContact CA-O 3.49Å; I370-L380 HydrophobicContact CD1-CD1 3.92Å; I370-L380 HydrophobicContact CG1-CB 4.31Å; I370-L380 HydrophobicContact CG1-CD1 3.4Å; I370-L380 VanDerWaalsContact CG1-CD1 3.4Å; I370-L380 HydrophobicContact CG1-CG 4.47Å; I370-L409 HydrophobicContact CB-CD1 3.98Å; I370-L409 HydrophobicContact CB-CD2 3.89Å; I370-L409 HydrophobicContact CG2-CD1 3.42Å; I370-L409 VanDerWaalsContact CG2-CD1 3.42Å; I370-L409 HydrophobicContact CG2-CD2 4.07Å; I370-L409 HydrophobicContact CG2-CG 4.29Å; I370-F411 HydrophobicContact CB-CE2 4.04Å; I370-F411 HydrophobicContact CD1-CE1 4.11Å; I370-F411 HydrophobicContact CD1-CE2 3.54Å; I370-F411 HydrophobicContact CD1-CZ 3.27Å; I370-F411 HydrophobicContact CG1-CE2 3.59Å; I370-F411 HydrophobicContact CG1-CZ 3.62Å; I370-V418 HydrophobicContact CD1-CB 4.17Å; I370-V418 HydrophobicContact CD1-CG1 3.85Å; I370-V418 HydrophobicContact CD1-CG2 3.52Å |
| 371 | T | 93.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 145.4 | 179.2 | 53.1 | 0 | 0 | 0 | 0 | 110.8 | C323 H339 I357 G359 L360 F369 I378 R379 W381 | C323-T371 VanDerWaalsContact SG-CG2 3.52Å; H339-T371 PolarHBondContact CE1-OG1 2.88Å; H339-T371 PolarHBondContact NE2-OG1 2.9Å; I357-T371 HydrophobicContact CG2-CG2 4.42Å; G359-T371 WeakPolarHBondContact O-CA 3.35Å; L360-T371 HydrophobicContact CD1-CG2 4.11Å; L360-T371 HydrophobicContact CG-CG2 4.45Å; F369-T371 HydrophobicContact CD2-CG2 3.72Å; F369-T371 HydrophobicContact CE2-CG2 3.64Å; T371-I378 WeakPolarHBondContact O-CA 3.48Å; T371-R379 PolarHBondContact N-O 3.44Å; T371-R379 PolarHBondContact O-N 3.13Å; T371-R379 VanDerWaalsContact O-N 3.07Å; T371-R379 PolarHBondContact OG1-O 3.11Å; T371-W381 PolarHBondContact OG1-NE1 3.18Å |
| 372 | I | 89.7 | Confident | 89.2 | Confident | 4 Ų | 4 | 23.8 Ų | 23.8 | 2% | 0.021 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 125.9 | 166.7 | -70.2 | 154.5 | 0 | 0 | 0 | 108.1 | Y358 G359 I378 L409 V420 | Y358-I372 PolarHBondContact N-O 2.63Å; G359-I372 PolarHBondContact N-O 3.32Å; G359-I372 PolarHBondContact O-N 3.36Å; I372-I378 HydrophobicContact CG1-CG1 4Å; I372-L409 HydrophobicContact CB-CD1 4.41Å; I372-L409 HydrophobicContact CD1-CB 3.71Å; I372-L409 HydrophobicContact CD1-CD1 3.47Å; I372-L409 VanDerWaalsContact CD1-CD1 3.47Å; I372-L409 HydrophobicContact CD1-CG 3.85Å; I372-L409 HydrophobicContact CG1-CD1 3.49Å; I372-L409 VanDerWaalsContact CG1-CD1 3.49Å; I372-L409 HydrophobicContact CG1-CG 4.4Å; I372-V420 HydrophobicContact CD1-CB 4.35Å; I372-V420 HydrophobicContact CD1-CG1 3.47Å; I372-V420 VanDerWaalsContact CD1-CG1 3.47Å; I372-V420 HydrophobicContact CD1-CG2 4.19Å; I372-V420 HydrophobicContact CG1-CG1 4.12Å |
| 373 | C | 89.1 | Confident | 89 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 158.3 | -175.2 | -174.7 | 0 | 0 | 0 | 0 | 111.3 | H339 H355 H356 D375 R376 C377 L398 | H339-C373 WeakPolarHBondContact ND1-CB 3.16Å; H355-C373 VanDerWaalsContact CA-SG 3.51Å; H355-C373 PolarHBondContact O-SG 3.13Å; H356-C373 CarbonylContact O-C 3.57Å; H356-C373 WeakPolarHBondContact O-CA 3.33Å; C373-D375 WeakPolarHBondContact CB-OD1 3.48Å; C373-D375 PolarHBondContact O-N 3.32Å; C373-D375 PolarHBondContact SG-OD1 2.91Å; C373-D375 PolarHBondContact SG-OD2 2.84Å; C373-R376 PolarHBondContact O-N 3.05Å; C373-C377 PolarHBondContact N-O 3.46Å; C373-L398 WeakPolarHBondContact O-CD1 3.48Å |
| 374 | E | 86.4 | Confident | 88.6 | Confident | 50 Ų | 50 | 25.7 Ų | 25.7 | 23% | 0.234 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -27.5 | 174.9 | -178.7 | 147.8 | -127.5 | 0 | 0 | 114.1 | H356 Y358 R376 K405 | H356-E374 HydrophobicContact CB-CB 4.17Å; H356-E374 IonicContact CD2-OE2 3.67Å; H356-E374 PolarHBondContact CD2-OE2 2.99Å; H356-E374 IonicContact CG-OE2 3.52Å; H356-E374 PolarHBondContact O-N 2.94Å; Y358-E374 HydrophobicContact CD2-CB 4.43Å; Y358-E374 HydrophobicContact CE2-CB 3.52Å; Y358-E374 HydrophobicContact CE2-CG 4.16Å; Y358-E374 PolarHBondContact OH-OE1 3.41Å; Y358-E374 PolarHBondContact OH-OE2 3Å; E374-R376 PolarHBondContact O-N 3.33Å; E374-K405 IonicContact OE1-NZ 3.42Å; E374-K405 PolarHBondContact OE1-NZ 3.23Å |
| 375 | D | 85.2 | Confident | 88.1 | Confident | 30 Ų | 30 | 29.5 Ų | 29.5 | 16% | 0.16 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | 15 | 176.9 | 63.6 | 18.9 | 0 | 0 | 0 | 114.8 | H355 C373 C377 R379 | H355-D375 IonicContact CE1-OD2 3.17Å; H355-D375 PolarHBondContact CE1-OD2 2.7Å; H355-D375 IonicContact CG-OD2 2.92Å; H355-D375 IonicContact ND1-OD2 3.94Å; H355-D375 PolarHBondContact ND1-OD2 3.4Å; C373-D375 WeakPolarHBondContact CB-OD1 3.48Å; C373-D375 PolarHBondContact O-N 3.32Å; C373-D375 PolarHBondContact SG-OD1 2.91Å; C373-D375 PolarHBondContact SG-OD2 2.84Å; D375-C377 PolarHBondContact O-N 2.68Å; D375-C377 PolarHBondContact O-SG 3.13Å; D375-C377 WeakPolarHBondContact OD1-CB 3.12Å; D375-C377 PolarHBondContact OD1-N 3.46Å; D375-R379 VanDerWaalsContact CG-NH1 3.31Å; D375-R379 IonicContact OD1-CZ 2.66Å; D375-R379 IonicContact OD1-NH1 2.75Å; D375-R379 PolarHBondContact OD1-NH1 3.1Å; D375-R379 IonicContact OD1-NH2 2.75Å; D375-R379 IonicContact OD2-CZ 3.54Å; D375-R379 IonicContact OD2-NH1 3.8Å; D375-R379 PolarHBondContact OD2-NH1 3.35Å; D375-R379 IonicContact OD2-NH2 3.42Å; D375-R379 PolarHBondContact OD2-NH2 3.18Å |
| 376 | R | 83.2 | Confident | 87.9 | Confident | 127 Ų | 127 | 31.9 Ų | 31.9 | 48% | 0.479 | 16% | 0.164 | S | C | . | . | S | Bend | trans | 66.8 | 14.6 | 178.2 | -61.9 | -179.1 | -65.5 | 165.4 | 2.9 | 114.2 | C373 E374 E395 L396 L398 | C373-R376 PolarHBondContact O-N 3.05Å; E374-R376 PolarHBondContact O-N 3.33Å; R376-E395 PolarHBondContact O-N 3.49Å; R376-L396 VanDerWaalsContact CB-O 3.28Å; R376-L396 WeakPolarHBondContact CB-O 3.47Å; R376-L396 WeakPolarHBondContact CG-O 3.45Å; R376-L396 PolarHBondContact O-N 3.24Å; R376-L398 HydrophobicContact CB-CD1 4.26Å; R376-L398 HydrophobicContact CB-CG 4.28Å; R376-L398 HydrophobicContact CG-CB 3.62Å; R376-L398 HydrophobicContact CG-CD1 3.82Å; R376-L398 HydrophobicContact CG-CG 3.71Å |
| 377 | C | 86 | Confident | 87.4 | Confident | 7 Ų | 7 | 38.2 Ų | 38.2 | 5% | 0.047 | 20% | 0.198 | C | C | . | . | trans | -110.8 | 137.7 | -178.4 | -54.8 | 0 | 0 | 0 | 0 | 112.2 | C373 D375 I392 Y393 F394 | C373-C377 PolarHBondContact N-O 3.46Å; D375-C377 PolarHBondContact O-N 2.68Å; D375-C377 PolarHBondContact O-SG 3.13Å; D375-C377 WeakPolarHBondContact OD1-CB 3.12Å; D375-C377 PolarHBondContact OD1-N 3.46Å; C377-I392 HydrophobicContact CB-CG2 3.88Å; C377-Y393 WeakPolarHBondContact CA-O 3.48Å; C377-F394 WeakPolarHBondContact SG-CD1 3.44Å | ||
| 378 | I | 88.6 | Confident | 87.2 | Confident | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 131.4 | 161 | -62.1 | 163.4 | 0 | 0 | 0 | 107.3 | L11 I370 T371 I372 I392 Y393 L396 V420 F430 | L11-I378 HydrophobicContact CD2-CG2 4.19Å; I370-I378 HydrophobicContact CG2-CG2 3.31Å; T371-I378 WeakPolarHBondContact O-CA 3.48Å; I372-I378 HydrophobicContact CG1-CG1 4Å; I378-I392 WeakPolarHBondContact O-CA 3.41Å; I378-Y393 PolarHBondContact N-O 2.72Å; I378-Y393 VanDerWaalsContact N-O 3.07Å; I378-Y393 PolarHBondContact O-N 3.38Å; I378-L396 HydrophobicContact CD1-CD1 3.39Å; I378-L396 HydrophobicContact CD1-CD2 3.68Å; I378-L396 HydrophobicContact CD1-CG 4.18Å; I378-L396 HydrophobicContact CG1-CD1 3.9Å; I378-L396 HydrophobicContact CG1-CD2 4.16Å; I378-V420 HydrophobicContact CD1-CB 4.29Å; I378-V420 HydrophobicContact CD1-CG1 4.01Å; I378-V420 HydrophobicContact CD1-CG2 3.89Å; I378-F430 HydrophobicContact CD1-CE1 4.37Å; I378-F430 HydrophobicContact CD1-CE2 3.58Å; I378-F430 HydrophobicContact CD1-CZ 3.44Å; I378-F430 VanDerWaalsContact CD1-CZ 3.44Å |
| 379 | R | 91.1 | Very high | 86.9 | Confident | 18 Ų | 18 | 34.6 Ų | 34.6 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 130.2 | 177.8 | -62.7 | -179.5 | 178.3 | 77.2 | -6.8 | 110.7 | H339 I370 T371 D375 W381 P389 I392 | H339-R379 PolarHBondContact ND1-NH1 3.37Å; H339-R379 VanDerWaalsContact ND1-NH1 3.16Å; I370-R379 VanDerWaalsContact CA-O 3.27Å; I370-R379 WeakPolarHBondContact CA-O 3.49Å; T371-R379 PolarHBondContact N-O 3.44Å; T371-R379 PolarHBondContact O-N 3.13Å; T371-R379 VanDerWaalsContact O-N 3.07Å; T371-R379 PolarHBondContact OG1-O 3.11Å; D375-R379 VanDerWaalsContact CG-NH1 3.31Å; D375-R379 IonicContact OD1-CZ 2.66Å; D375-R379 IonicContact OD1-NH1 2.75Å; D375-R379 PolarHBondContact OD1-NH1 3.1Å; D375-R379 IonicContact OD1-NH2 2.75Å; D375-R379 IonicContact OD2-CZ 3.54Å; D375-R379 IonicContact OD2-NH1 3.8Å; D375-R379 PolarHBondContact OD2-NH1 3.35Å; D375-R379 IonicContact OD2-NH2 3.42Å; D375-R379 PolarHBondContact OD2-NH2 3.18Å; R379-W381 HydrophobicContact CB-CZ2 4.24Å; R379-W381 VanDerWaalsContact CB-NE1 3.32Å; R379-W381 HydrophobicContact CG-CZ2 4.46Å; R379-P389 HydrophobicContact CB-CB 4.15Å; R379-P389 HydrophobicContact CG-CB 4.48Å; R379-I392 HydrophobicContact CG-CG1 4.15Å; R379-I392 HydrophobicContact CG-CG2 4.15Å |
| 380 | L | 92.2 | Very high | 86.4 | Confident | 7 Ų | 7 | 38.9 Ų | 38.9 | 4% | 0.037 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.8 | 166.2 | 179.5 | 71.3 | 0 | 0 | 0 | 108.4 | P10 L11 Y368 I370 P389 L390 K391 F411 | P10-L380 HydrophobicContact CB-CD2 3.93Å; L11-L380 HydrophobicContact CB-CD2 4.37Å; L11-L380 HydrophobicContact CD2-CB 4.46Å; Y368-L380 HydrophobicContact CG-CD1 4.32Å; I370-L380 HydrophobicContact CD1-CD1 3.92Å; I370-L380 HydrophobicContact CG1-CB 4.31Å; I370-L380 HydrophobicContact CG1-CD1 3.4Å; I370-L380 VanDerWaalsContact CG1-CD1 3.4Å; I370-L380 HydrophobicContact CG1-CG 4.47Å; L380-P389 CarbonylContact O-C 3.57Å; L380-P389 WeakPolarHBondContact O-CA 3.38Å; L380-P389 WeakPolarHBondContact O-CB 3.45Å; L380-L390 HydrophobicContact CD2-CB 4.35Å; L380-L390 HydrophobicContact CD2-CD1 4.49Å; L380-L390 PolarHBondContact O-N 3.4Å; L380-K391 HydrophobicContact CB-CB 4.47Å; L380-K391 PolarHBondContact N-O 2.91Å; L380-F411 HydrophobicContact CD1-CZ 4.5Å |
| 381 | W | 92.1 | Very high | 85.9 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.011 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 143.2 | -179.4 | -61.9 | 96.8 | 0 | 0 | 0 | 110.1 | F337 H339 Y368 F369 T371 R379 P389 | F337-W381 HydrophobicContact CB-CD2 4.37Å; F337-W381 HydrophobicContact CB-CE3 4.08Å; F337-W381 HydrophobicContact CB-CH2 4.35Å; F337-W381 HydrophobicContact CB-CZ3 4.07Å; F337-W381 HydrophobicContact CD1-CD2 4.34Å; F337-W381 AromaticContact CD1-CE3 3.6Å; F337-W381 HydrophobicContact CD1-CE3 3.6Å; F337-W381 AromaticContact CD1-CZ3 4Å; F337-W381 HydrophobicContact CD1-CZ3 4Å; F337-W381 HydrophobicContact CE1-CE3 4.34Å; F337-W381 HydrophobicContact CG-CE3 4.12Å; F337-W381 HydrophobicContact CG-CZ3 4.47Å; H339-W381 AromaticContact CD2-CZ2 3.64Å; H339-W381 AromaticContact CE1-NE1 3.96Å; H339-W381 AromaticContact NE2-CE2 3.8Å; H339-W381 AromaticContact NE2-CZ2 3.69Å; H339-W381 AromaticContact NE2-NE1 3.41Å; H339-W381 PolarHBondContact NE2-NE1 2.9Å; Y368-W381 CarbonylContact C-O 3.51Å; Y368-W381 WeakPolarHBondContact CA-O 3.43Å; Y368-W381 WeakPolarHBondContact CB-O 3.28Å; F369-W381 HydrophobicContact CD1-CB 3.73Å; F369-W381 HydrophobicContact CD2-CB 4.08Å; F369-W381 AromaticContact CD2-CD1 3.93Å; F369-W381 HydrophobicContact CD2-CG 4.31Å; F369-W381 HydrophobicContact CE1-CB 3.25Å; F369-W381 HydrophobicContact CE1-CG 4.07Å; F369-W381 HydrophobicContact CE2-CB 3.64Å; F369-W381 AromaticContact CE2-CD1 3.37Å; F369-W381 AromaticContact CE2-CG 3.61Å; F369-W381 HydrophobicContact CE2-CG 3.61Å; F369-W381 HydrophobicContact CG-CB 4.12Å; F369-W381 HydrophobicContact CZ-CB 3.19Å; F369-W381 AromaticContact CZ-CD1 3.75Å; F369-W381 HydrophobicContact CZ-CD2 4.25Å; F369-W381 AromaticContact CZ-CG 3.47Å; F369-W381 HydrophobicContact CZ-CG 3.47Å; F369-W381 VanDerWaalsContact CZ-CG 3.47Å; F369-W381 PolarHBondContact N-O 3.16Å; F369-W381 PolarHBondContact O-N 3.23Å; T371-W381 PolarHBondContact OG1-NE1 3.18Å; R379-W381 HydrophobicContact CB-CZ2 4.24Å; R379-W381 VanDerWaalsContact CB-NE1 3.32Å; R379-W381 HydrophobicContact CG-CZ2 4.46Å; W381-P389 HydrophobicContact CD2-CB 3.89Å; W381-P389 HydrophobicContact CE3-CB 3.83Å; W381-P389 HydrophobicContact CH2-CB 4.14Å; W381-P389 HydrophobicContact CH2-CG 4.11Å; W381-P389 HydrophobicContact CZ2-CB 4.21Å; W381-P389 HydrophobicContact CZ2-CG 4.45Å; W381-P389 HydrophobicContact CZ3-CB 3.96Å; W381-P389 VanDerWaalsContact CZ3-CD 3.44Å; W381-P389 HydrophobicContact CZ3-CG 4.16Å; W381-P389 VanDerWaalsContact CZ3-N 3.31Å |
| 382 | P | 90.1 | Very high | 85.3 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.065 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 145.5 | 164 | 32.3 | -28.2 | 0 | 0 | 0 | 109.7 | F337 Y368 A384 V386 L390 | F337-P382 WeakPolarHBondContact CE1-O 3.4Å; F337-P382 WeakPolarHBondContact CZ-O 3.35Å; Y368-P382 HydrophobicContact CD1-CB 4.41Å; P382-A384 HydrophobicContact CB-CB 4.34Å; P382-A384 PolarHBondContact O-N 2.92Å; P382-V386 HydrophobicContact CG-CB 3.78Å; P382-V386 HydrophobicContact CG-CG1 4.46Å; P382-V386 HydrophobicContact CG-CG2 4.09Å; P382-L390 HydrophobicContact CB-CD1 4.11Å; P382-L390 HydrophobicContact CG-CD1 4.42Å; P382-L390 HydrophobicContact CG-CG 4.32Å |
| 383 | L | 89.1 | Confident | 84.8 | Confident | 14 Ų | 14 | 44.1 Ų | 44.1 | 7% | 0.073 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -74.7 | -12.3 | 167.6 | -81.1 | 159.9 | 0 | 0 | 0 | 112.4 | V315 V325 H335 L362 D366 F367 F369 | V315-L383 HydrophobicContact CG2-CD2 3.79Å; V325-L383 HydrophobicContact CG2-CD2 4.22Å; H335-L383 PolarHBondContact CE1-O 2.87Å; H335-L383 PolarHBondContact NE2-O 3.31Å; L362-L383 HydrophobicContact CD2-CD1 3.95Å; L362-L383 HydrophobicContact CD2-CD2 3.96Å; L362-L383 HydrophobicContact CD2-CG 4.42Å; D366-L383 HydrophobicContact CB-CD1 4.48Å; D366-L383 WeakPolarHBondContact O-CD1 3.42Å; F367-L383 PolarHBondContact O-N 2.87Å; F369-L383 HydrophobicContact CD1-CD2 3.87Å; F369-L383 HydrophobicContact CD1-CG 3.96Å; F369-L383 HydrophobicContact CE1-CD2 4.43Å |
| 384 | A | 83.5 | Confident | 83.9 | Confident | 50 Ų | 50 | 50.6 Ų | 50.6 | 41% | 0.413 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -68.3 | 153.1 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P382 V386 | P382-A384 HydrophobicContact CB-CB 4.34Å; P382-A384 PolarHBondContact O-N 2.92Å; A384-V386 HydrophobicContact CB-CG2 4.28Å; A384-V386 PolarHBondContact O-N 2.94Å |
| 385 | P | 78.6 | Confident | 82.7 | Confident | 107 Ų | 107 | 53.9 Ų | 53.9 | 70% | 0.695 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -71.7 | 75.7 | -178.7 | 30.9 | -36.4 | 0 | 0 | 0 | 111.6 | H335 | H335-P385 HydrophobicContact CB-CB 4.41Š|
| 386 | V | 78 | Confident | 81.6 | Confident | 60 Ų | 60 | 52.8 Ų | 52.8 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | trans | -122.7 | 128.7 | 178.3 | -176.3 | 0 | 0 | 0 | 0 | 109 | F337 P382 A384 S388 | F337-V386 WeakPolarHBondContact CD1-O 3.33Å; F337-V386 WeakPolarHBondContact CE1-O 3.31Å; P382-V386 HydrophobicContact CG-CB 3.78Å; P382-V386 HydrophobicContact CG-CG1 4.46Å; P382-V386 HydrophobicContact CG-CG2 4.09Å; A384-V386 HydrophobicContact CB-CG2 4.28Å; A384-V386 PolarHBondContact O-N 2.94Å; V386-S388 PolarHBondContact O-N 3.2Å; V386-S388 VanDerWaalsContact O-N 3.14Å | ||
| 387 | N | 75.8 | Confident | 80 | Confident | 142 Ų | 142 | 48.4 Ų | 48.4 | 76% | 0.759 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -79.6 | 7 | -172.9 | -70.2 | -11.3 | 0 | 0 | 0 | 114.8 | ||
| 388 | S | 82.6 | Confident | 78.5 | Confident | 66 Ų | 66 | 48.7 Ų | 48.7 | 46% | 0.462 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -131.1 | 141.5 | -176.2 | 58.6 | 0 | 0 | 0 | 0 | 112 | V386 | V386-S388 PolarHBondContact O-N 3.2Å; V386-S388 VanDerWaalsContact O-N 3.14Å |
| 389 | P | 83.9 | Confident | 76.7 | Confident | 32 Ų | 32 | 54 Ų | 54 | 21% | 0.208 | 30% | 0.296 | C | S | . | . | trans | -69 | 148.3 | 172.5 | 30.8 | -33.5 | 0 | 0 | 0 | 110.1 | R379 L380 W381 I392 | R379-P389 HydrophobicContact CB-CB 4.15Å; R379-P389 HydrophobicContact CG-CB 4.48Å; L380-P389 CarbonylContact O-C 3.57Å; L380-P389 WeakPolarHBondContact O-CA 3.38Å; L380-P389 WeakPolarHBondContact O-CB 3.45Å; W381-P389 HydrophobicContact CD2-CB 3.89Å; W381-P389 HydrophobicContact CE3-CB 3.83Å; W381-P389 HydrophobicContact CH2-CB 4.14Å; W381-P389 HydrophobicContact CH2-CG 4.11Å; W381-P389 HydrophobicContact CZ2-CB 4.21Å; W381-P389 HydrophobicContact CZ2-CG 4.45Å; W381-P389 HydrophobicContact CZ3-CB 3.96Å; W381-P389 VanDerWaalsContact CZ3-CD 3.44Å; W381-P389 HydrophobicContact CZ3-CG 4.16Å; W381-P389 VanDerWaalsContact CZ3-N 3.31Å; P389-I392 HydrophobicContact CB-CG1 4.12Å; P389-I392 HydrophobicContact CG-CD1 3.56Å; P389-I392 HydrophobicContact CG-CG1 3.55Å | ||
| 390 | L | 83 | Confident | 74.6 | Confident | 89 Ų | 89 | 59.4 Ų | 59.4 | 47% | 0.466 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -74 | -32.8 | 177.2 | -69.3 | 167.1 | 0 | 0 | 0 | 112.2 | Y368 L380 P382 | Y368-L390 HydrophobicContact CD1-CD1 3.43Å; Y368-L390 VanDerWaalsContact CD1-CD1 3.43Å; Y368-L390 HydrophobicContact CE1-CD1 3.28Å; L380-L390 HydrophobicContact CD2-CB 4.35Å; L380-L390 HydrophobicContact CD2-CD1 4.49Å; L380-L390 PolarHBondContact O-N 3.4Å; P382-L390 HydrophobicContact CB-CD1 4.11Å; P382-L390 HydrophobicContact CG-CD1 4.42Å; P382-L390 HydrophobicContact CG-CG 4.32Å |
| 391 | K | 81.7 | Confident | 72.4 | Confident | 52 Ų | 52 | 64.9 Ų | 64.9 | 23% | 0.226 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 141.6 | 177.7 | -176.4 | 73.6 | 172.3 | -175.1 | 0 | 109.4 | P10 L11 E108 L380 Y393 | P10-K391 HydrophobicContact CG-CB 3.78Å; P10-K391 HydrophobicContact CG-CD 4.43Å; P10-K391 HydrophobicContact CG-CG 4.23Å; L11-K391 HydrophobicContact CB-CG 4.34Å; E108-K391 IonicContact OE1-NZ 3.54Å; E108-K391 IonicContact OE2-NZ 3.74Å; L380-K391 HydrophobicContact CB-CB 4.47Å; L380-K391 PolarHBondContact N-O 2.91Å; K391-Y393 HydrophobicContact CG-CD2 4.33Å; K391-Y393 HydrophobicContact CG-CE2 4.09Å |
| 392 | I | 81.7 | Confident | 70.1 | Confident | 49 Ų | 49 | 72 Ų | 72 | 25% | 0.251 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 127.1 | 174 | -50.2 | -178.5 | 0 | 0 | 0 | 107.2 | C377 I378 R379 P389 F394 | C377-I392 HydrophobicContact CB-CG2 3.88Å; I378-I392 WeakPolarHBondContact O-CA 3.41Å; R379-I392 HydrophobicContact CG-CG1 4.15Å; R379-I392 HydrophobicContact CG-CG2 4.15Å; P389-I392 HydrophobicContact CB-CG1 4.12Å; P389-I392 HydrophobicContact CG-CD1 3.56Å; P389-I392 HydrophobicContact CG-CG1 3.55Å; I392-F394 HydrophobicContact CB-CE2 3.99Å; I392-F394 HydrophobicContact CB-CZ 4.03Å; I392-F394 HydrophobicContact CD1-CZ 4.27Å; I392-F394 HydrophobicContact CG2-CD1 4.18Å; I392-F394 HydrophobicContact CG2-CD2 4.2Å; I392-F394 HydrophobicContact CG2-CE1 3.79Å; I392-F394 HydrophobicContact CG2-CE2 3.82Å; I392-F394 HydrophobicContact CG2-CG 4.38Å; I392-F394 HydrophobicContact CG2-CZ 3.6Å |
| 393 | Y | 78.3 | Confident | 68.1 | Low | 14 Ų | 14 | 75.2 Ų | 75.2 | 6% | 0.055 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.3 | 162 | -87.5 | -82.4 | 0 | 0 | 0 | 108.6 | L11 R12 L13 E108 C377 I378 K391 F430 | L11-Y393 HydrophobicContact CB-CE2 4.2Å; L11-Y393 HydrophobicContact CD2-CD2 3.9Å; L11-Y393 HydrophobicContact CD2-CE2 4.18Å; L11-Y393 HydrophobicContact CG-CD2 4.21Å; L11-Y393 HydrophobicContact CG-CE2 3.99Å; L11-Y393 WeakPolarHBondContact O-CE2 3.32Å; L11-Y393 PolarHBondContact O-OH 2.83Å; R12-Y393 WeakPolarHBondContact CA-OH 3.41Å; L13-Y393 HydrophobicContact CB-CE1 4.37Å; E108-Y393 HydrophobicContact CB-CE1 4.25Å; E108-Y393 PolarHBondContact OE1-OH 2.89Å; C377-Y393 WeakPolarHBondContact CA-O 3.48Å; I378-Y393 PolarHBondContact N-O 2.72Å; I378-Y393 VanDerWaalsContact N-O 3.07Å; I378-Y393 PolarHBondContact O-N 3.38Å; K391-Y393 HydrophobicContact CG-CD2 4.33Å; K391-Y393 HydrophobicContact CG-CE2 4.09Å; Y393-F430 HydrophobicContact CD1-CE1 4.33Å; Y393-F430 HydrophobicContact CD2-CD1 4.27Å; Y393-F430 AromaticContact CD2-CE1 3.89Å; Y393-F430 HydrophobicContact CD2-CE1 3.89Å; Y393-F430 HydrophobicContact CE2-CD1 4.22Å; Y393-F430 HydrophobicContact CE2-CE1 4.19Å; Y393-F430 AromaticContact CG-CE1 3.98Å; Y393-F430 HydrophobicContact CG-CE1 3.98Å |
| 394 | F | 70.2 | Confident | 66.3 | Low | 136 Ų | 136 | 79.8 Ų | 79.8 | 60% | 0.596 | 45% | 0.447 | S | S | * | . | trans | -93 | 163.9 | 176.1 | -62.9 | -83.2 | 0 | 0 | 0 | 110.7 | C377 I392 L396 | C377-F394 WeakPolarHBondContact SG-CD1 3.44Å; I392-F394 HydrophobicContact CB-CE2 3.99Å; I392-F394 HydrophobicContact CB-CZ 4.03Å; I392-F394 HydrophobicContact CD1-CZ 4.27Å; I392-F394 HydrophobicContact CG2-CD1 4.18Å; I392-F394 HydrophobicContact CG2-CD2 4.2Å; I392-F394 HydrophobicContact CG2-CE1 3.79Å; I392-F394 HydrophobicContact CG2-CE2 3.82Å; I392-F394 HydrophobicContact CG2-CG 4.38Å; I392-F394 HydrophobicContact CG2-CZ 3.6Å; F394-L396 VanDerWaalsContact C-N 3.34Å; F394-L396 PolarHBondContact O-N 3.23Å | ||
| 395 | E | 62.4 | Low | 65.4 | Low | 119 Ų | 119 | 79.2 Ų | 79.2 | 56% | 0.556 | 44% | 0.435 | S | S | * | . | trans | 62.3 | 34.1 | 165.3 | -147.5 | -174.3 | 169.9 | 0 | 0 | 115 | L110 R376 A397 | L110-E395 VanDerWaalsContact CD1-O 3.31Å; L110-E395 WeakPolarHBondContact CD1-O 3.31Å; R376-E395 PolarHBondContact O-N 3.49Å; E395-A397 PolarHBondContact O-N 2.95Å; E395-A397 VanDerWaalsContact O-N 3.07Å | ||
| 396 | L | 62.4 | Low | 64.6 | Low | 7 Ų | 7 | 77.6 Ų | 77.6 | 4% | 0.037 | 42% | 0.417 | C | S | . | . | trans | -59.7 | 120 | 151.1 | -95.9 | 82.8 | 0 | 0 | 0 | 106.1 | L110 R376 I378 F394 L398 V420 T422 L428 F430 | L110-L396 HydrophobicContact CD1-CG 4.32Å; R376-L396 VanDerWaalsContact CB-O 3.28Å; R376-L396 WeakPolarHBondContact CB-O 3.47Å; R376-L396 WeakPolarHBondContact CG-O 3.45Å; R376-L396 PolarHBondContact O-N 3.24Å; I378-L396 HydrophobicContact CD1-CD1 3.39Å; I378-L396 HydrophobicContact CD1-CD2 3.68Å; I378-L396 HydrophobicContact CD1-CG 4.18Å; I378-L396 HydrophobicContact CG1-CD1 3.9Å; I378-L396 HydrophobicContact CG1-CD2 4.16Å; F394-L396 VanDerWaalsContact C-N 3.34Å; F394-L396 PolarHBondContact O-N 3.23Å; L396-L398 PolarHBondContact O-N 2.57Å; L396-V420 HydrophobicContact CD2-CG1 3.97Å; L396-T422 HydrophobicContact CD2-CG2 3.64Å; L396-T422 HydrophobicContact CG-CG2 4.4Å; L396-L428 HydrophobicContact CD1-CD1 4.12Å; L396-L428 HydrophobicContact CD2-CD1 3.82Å; L396-L428 HydrophobicContact CG-CD1 3.77Å; L396-F430 HydrophobicContact CD1-CZ 4.49Å | ||
| 397 | A | 49.6 | Very low | 64.6 | Low | 34 Ų | 34 | 75.9 Ų | 75.9 | 28% | 0.281 | 40% | 0.404 | S | S | . | . | trans | -68.5 | 68.9 | -171.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | E395 Q399 N423 N424 | E395-A397 PolarHBondContact O-N 2.95Å; E395-A397 VanDerWaalsContact O-N 3.07Å; A397-Q399 PolarHBondContact O-N 2.89Å; A397-Q399 VanDerWaalsContact O-N 3.09Å; A397-N423 VanDerWaalsContact O-CG 3.25Å; A397-N423 PolarHBondContact O-ND2 3.26Å; A397-N423 PolarHBondContact O-OD1 2.81Å; A397-N424 WeakPolarHBondContact CB-ND2 3.08Å; A397-N424 PolarHBondContact O-OD1 2.82Å | ||
| 398 | L | 53.1 | Low | 65 | Low | 14 Ų | 14 | 70.4 Ų | 70.4 | 7% | 0.073 | 38% | 0.377 | C | S | . | . | trans | -74.1 | 98.1 | 170.9 | -43.5 | 175.3 | 0 | 0 | 0 | 108.2 | C373 R376 L396 N423 | C373-L398 WeakPolarHBondContact O-CD1 3.48Å; R376-L398 HydrophobicContact CB-CD1 4.26Å; R376-L398 HydrophobicContact CB-CG 4.28Å; R376-L398 HydrophobicContact CG-CB 3.62Å; R376-L398 HydrophobicContact CG-CD1 3.82Å; R376-L398 HydrophobicContact CG-CG 3.71Å; L396-L398 PolarHBondContact O-N 2.57Å; L398-N423 WeakPolarHBondContact CA-ND2 3.36Å; L398-N423 VanDerWaalsContact CA-OD1 3.26Å; L398-N423 WeakPolarHBondContact CA-OD1 3.32Å; L398-N423 HydrophobicContact CD2-CB 4.41Å; L398-N423 VanDerWaalsContact CD2-OD1 3.24Å; L398-N423 WeakPolarHBondContact CD2-OD1 3.42Å | ||
| 399 | Q | 52.1 | Low | 65.4 | Low | 110 Ų | 110 | 68 Ų | 68 | 51% | 0.514 | 36% | 0.359 | S | S | . | . | trans | -56.2 | 143 | 161.4 | -78.9 | -176.9 | -18.6 | 0 | 0 | 109.6 | A397 H401 N423 | A397-Q399 PolarHBondContact O-N 2.89Å; A397-Q399 VanDerWaalsContact O-N 3.09Å; Q399-H401 VanDerWaalsContact C-N 3.3Å; Q399-H401 PolarHBondContact O-N 3.35Å; Q399-N423 PolarHBondContact N-ND2 3.16Å | ||
| 400 | T | 47.6 | Very low | 65.8 | Low | 132 Ų | 132 | 66.9 Ų | 66.9 | 81% | 0.81 | 35% | 0.353 | S | S | * | . | trans | -78.3 | 74.8 | 177.4 | 53.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 401 | H | 45.2 | Very low | 66.3 | Low | 122 Ų | 122 | 63.6 Ų | 63.6 | 57% | 0.565 | 34% | 0.335 | S | S | * | . | trans | -110 | 147.2 | 165.9 | -71.8 | -64.1 | 0 | 0 | 0 | 111.1 | Q399 K405 | Q399-H401 VanDerWaalsContact C-N 3.3Å; Q399-H401 PolarHBondContact O-N 3.35Å; H401-K405 WeakPolarHBondContact O-CE 3.23Å | ||
| 402 | T | 43.3 | Very low | 66.8 | Low | 152 Ų | 152 | 61.1 Ų | 61.1 | 93% | 0.933 | 32% | 0.324 | S | S | * | . | trans | -93.2 | 12.1 | -159.3 | 46.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 403 | S | 48.3 | Very low | 67.2 | Low | 78 Ų | 78 | 61 Ų | 61 | 55% | 0.545 | 33% | 0.327 | S | S | . | . | S | Bend | trans | -89.9 | 165.3 | 178.8 | 64.2 | 0 | 0 | 0 | 0 | 113.2 | K405 | S403-K405 WeakPolarHBondContact O-CG 3.3Å; S403-K405 PolarHBondContact O-N 2.54Å |
| 404 | L | 51.7 | Low | 67.5 | Low | 111 Ų | 111 | 63 Ų | 63 | 58% | 0.581 | 34% | 0.342 | S | S | * | . | trans | -55 | 107.5 | 170 | -75.4 | 160.5 | 0 | 0 | 0 | 109.3 | F406 | L404-F406 HydrophobicContact CB-CE2 4.07Å; L404-F406 HydrophobicContact CB-CZ 4.07Å; L404-F406 HydrophobicContact CD1-CZ 4.4Å; L404-F406 PolarHBondContact O-N 2.78Å | ||
| 405 | K | 63.6 | Low | 68.3 | Low | 37 Ų | 37 | 56.7 Ų | 56.7 | 16% | 0.161 | 32% | 0.315 | C | S | . | . | trans | -82.5 | 85.1 | -176.8 | -70.6 | 146.2 | 171.7 | -176.1 | 0 | 109.8 | Y358 E374 H401 S403 R407 | Y358-K405 HydrophobicContact CD1-CB 4.24Å; Y358-K405 HydrophobicContact CE1-CB 4.1Å; Y358-K405 HydrophobicContact CE1-CD 4.16Å; Y358-K405 HydrophobicContact CE2-CD 3.94Å; Y358-K405 VanDerWaalsContact OH-CD 3.3Å; Y358-K405 WeakPolarHBondContact OH-CD 3.5Å; E374-K405 IonicContact OE1-NZ 3.42Å; E374-K405 PolarHBondContact OE1-NZ 3.23Å; H401-K405 WeakPolarHBondContact O-CE 3.23Å; S403-K405 WeakPolarHBondContact O-CG 3.3Å; S403-K405 PolarHBondContact O-N 2.54Å; K405-R407 HydrophobicContact CB-CG 4.44Å; K405-R407 VanDerWaalsContact CD-NH2 3.3Å; K405-R407 PolarHBondContact O-N 3.15Å; K405-R407 VanDerWaalsContact O-N 3.11Å | ||
| 406 | F | 62.8 | Low | 69.5 | Low | 74 Ų | 74 | 56.5 Ų | 56.5 | 33% | 0.325 | 31% | 0.309 | S | S | . | . | trans | -65.9 | 106.8 | 167.4 | -58 | -67.7 | 0 | 0 | 0 | 108.5 | I132 Y203 L404 | I132-F406 HydrophobicContact CG2-CD1 4.37Å; I132-F406 HydrophobicContact CG2-CD2 4.09Å; I132-F406 HydrophobicContact CG2-CE1 4.46Å; I132-F406 HydrophobicContact CG2-CE2 4.15Å; I132-F406 HydrophobicContact CG2-CG 4.2Å; I132-F406 HydrophobicContact CG2-CZ 4.34Å; Y203-F406 HydrophobicContact CD2-CE1 4.3Å; Y203-F406 HydrophobicContact CG-CE1 4.24Å; L404-F406 HydrophobicContact CB-CE2 4.07Å; L404-F406 HydrophobicContact CB-CZ 4.07Å; L404-F406 HydrophobicContact CD1-CZ 4.4Å; L404-F406 PolarHBondContact O-N 2.78Å | ||
| 407 | R | 77.2 | Confident | 70.9 | Confident | 24 Ų | 24 | 56.1 Ų | 56.1 | 9% | 0.091 | 31% | 0.307 | C | S | . | . | trans | -124.7 | 132.9 | 177.8 | -64.4 | -166 | -177.1 | 94.8 | -2.5 | 109.2 | K405 | K405-R407 HydrophobicContact CB-CG 4.44Å; K405-R407 VanDerWaalsContact CD-NH2 3.3Å; K405-R407 PolarHBondContact O-N 3.15Å; K405-R407 VanDerWaalsContact O-N 3.11Å | ||
| 408 | S | 84.9 | Confident | 72.9 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 19% | 0.189 | 29% | 0.294 | C | S | . | . | trans | -103.5 | 139.8 | 176.4 | -167.6 | 0 | 0 | 0 | 0 | 110.8 | C28 T421 | C28-S408 VanDerWaalsContact N-CB 3.31Å; C28-S408 PolarHBondContact O-OG 3Å; S408-T421 PolarHBondContact N-OG1 3.42Å; S408-T421 PolarHBondContact O-N 2.73Å; S408-T421 VanDerWaalsContact O-N 3.12Å | ||
| 409 | L | 90.6 | Very high | 74.8 | Confident | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 123.7 | 171.1 | -160.5 | 156.4 | 0 | 0 | 0 | 106.2 | I370 I372 V418 V420 | I370-L409 HydrophobicContact CB-CD1 3.98Å; I370-L409 HydrophobicContact CB-CD2 3.89Å; I370-L409 HydrophobicContact CG2-CD1 3.42Å; I370-L409 VanDerWaalsContact CG2-CD1 3.42Å; I370-L409 HydrophobicContact CG2-CD2 4.07Å; I370-L409 HydrophobicContact CG2-CG 4.29Å; I372-L409 HydrophobicContact CB-CD1 4.41Å; I372-L409 HydrophobicContact CD1-CB 3.71Å; I372-L409 HydrophobicContact CD1-CD1 3.47Å; I372-L409 VanDerWaalsContact CD1-CD1 3.47Å; I372-L409 HydrophobicContact CD1-CG 3.85Å; I372-L409 HydrophobicContact CG1-CD1 3.49Å; I372-L409 VanDerWaalsContact CG1-CD1 3.49Å; I372-L409 HydrophobicContact CG1-CG 4.4Å; L409-V418 HydrophobicContact CD2-CG1 3.92Å; L409-V418 HydrophobicContact CG-CG1 4.47Å; L409-V420 HydrophobicContact CG-CG2 4.21Å |
| 410 | A | 92.8 | Very high | 76.7 | Confident | 10 Ų | 10 | 48.7 Ų | 48.7 | 8% | 0.083 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 124.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | F30 V418 A419 | F30-A410 HydrophobicContact CD2-CB 3.66Å; F30-A410 HydrophobicContact CE2-CB 4Å; F30-A410 WeakPolarHBondContact CE2-O 3.28Å; A410-V418 WeakPolarHBondContact O-CA 3.19Å; A410-A419 PolarHBondContact N-O 3.29Å; A410-A419 PolarHBondContact O-N 2.88Å |
| 411 | F | 93.1 | Very high | 78.6 | Confident | 20 Ų | 20 | 42.4 Ų | 42.4 | 9% | 0.088 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 138.5 | 161 | -92.9 | -84.8 | 0 | 0 | 0 | 109.8 | F30 S361 L362 I370 L380 V418 T432 | F30-F411 WeakPolarHBondContact CD2-O 3.34Å; S361-F411 PolarHBondContact OG-N 2.9Å; L362-F411 VanDerWaalsContact C-CD2 3.46Å; L362-F411 WeakPolarHBondContact O-CD2 3.4Å; I370-F411 HydrophobicContact CB-CE2 4.04Å; I370-F411 HydrophobicContact CD1-CE1 4.11Å; I370-F411 HydrophobicContact CD1-CE2 3.54Å; I370-F411 HydrophobicContact CD1-CZ 3.27Å; I370-F411 HydrophobicContact CG1-CE2 3.59Å; I370-F411 HydrophobicContact CG1-CZ 3.62Å; L380-F411 HydrophobicContact CD1-CZ 4.5Å; F411-V418 HydrophobicContact CD1-CG2 3.41Å; F411-V418 VanDerWaalsContact CD1-CG2 3.41Å; F411-V418 HydrophobicContact CD2-CG2 4.31Å; F411-V418 HydrophobicContact CE1-CG2 3.29Å; F411-V418 HydrophobicContact CE2-CG2 4.22Å; F411-V418 HydrophobicContact CG-CG2 3.95Å; F411-V418 HydrophobicContact CZ-CG2 3.73Å; F411-T432 HydrophobicContact CE1-CG2 4.11Å |
| 412 | S | 92.4 | Very high | 80.2 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -62.9 | 145.1 | 161.4 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | P364 C414 G415 R416 I417 | P364-S412 WeakPolarHBondContact CG-O 3.38Å; S412-C414 PolarHBondContact O-N 2.77Å; S412-C414 VanDerWaalsContact O-N 3.16Å; S412-C414 PolarHBondContact OG-SG 3.49Å; S412-C414 VanDerWaalsContact OG-SG 3.38Å; S412-G415 WeakPolarHBondContact O-CA 3.48Å; S412-G415 PolarHBondContact O-N 3.27Å; S412-R416 PolarHBondContact OG-N 3.04Å; S412-I417 WeakPolarHBondContact CB-O 3.45Å; S412-I417 PolarHBondContact N-O 2.93Å; S412-I417 WeakPolarHBondContact OG-CA 3.48Å; S412-I417 PolarHBondContact OG-N 2.98Å; S412-I417 PolarHBondContact OG-O 2.82Å | ||
| 413 | P | 89.4 | Confident | 81.5 | Confident | 47 Ų | 47 | 30.8 Ų | 30.8 | 31% | 0.305 | 16% | 0.164 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -23.1 | 178.5 | -25.4 | 33.5 | 0 | 0 | 0 | 114.5 | S31 P364 G415 | S31-P413 WeakPolarHBondContact O-CG 3.35Å; P364-P413 WeakPolarHBondContact CB-O 3.3Å; P364-P413 VanDerWaalsContact CG-O 3.3Å; P364-P413 WeakPolarHBondContact CG-O 3.2Å; P413-G415 VanDerWaalsContact C-N 3.26Å |
| 414 | C | 85.2 | Confident | 82.4 | Confident | 55 Ų | 55 | 29.6 Ų | 29.6 | 37% | 0.372 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -7.6 | 173.7 | 64.4 | 0 | 0 | 0 | 0 | 113.2 | S412 R416 S434 | S412-C414 PolarHBondContact O-N 2.77Å; S412-C414 VanDerWaalsContact O-N 3.16Å; S412-C414 PolarHBondContact OG-SG 3.49Å; S412-C414 VanDerWaalsContact OG-SG 3.38Å; C414-R416 PolarHBondContact O-N 3.12Å; C414-S434 PolarHBondContact O-OG 3.49Å |
| 415 | G | 87.4 | Confident | 83.5 | Confident | 3 Ų | 3 | 25.7 Ų | 25.7 | 3% | 0.031 | 13% | 0.131 | C | C | . | . | S | Bend | trans | 73.6 | 0.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | S412 P413 T432 S434 | S412-G415 WeakPolarHBondContact O-CA 3.48Å; S412-G415 PolarHBondContact O-N 3.27Å; P413-G415 VanDerWaalsContact C-N 3.26Å; G415-T432 PolarHBondContact O-OG1 3.01Å; G415-S434 WeakPolarHBondContact O-CB 3.04Å |
| 416 | R | 87.8 | Confident | 84.4 | Confident | 115 Ų | 115 | 25 Ų | 25 | 43% | 0.434 | 13% | 0.128 | S | C | . | . | S | Bend | trans | -89.8 | -19.1 | -175 | -67.7 | -172.9 | 178.4 | -173.1 | -0.5 | 114.7 | L55 S412 C414 T431 T432 | L55-R416 HydrophobicContact CD2-CB 3.96Å; S412-R416 PolarHBondContact OG-N 3.04Å; C414-R416 PolarHBondContact O-N 3.12Å; R416-T431 CarbonylContact O-C 3.58Å; R416-T431 VanDerWaalsContact O-CA 3.32Å; R416-T431 WeakPolarHBondContact O-CA 3.28Å; R416-T432 WeakPolarHBondContact CA-OG1 3.19Å; R416-T432 PolarHBondContact O-N 3.07Å; R416-T432 PolarHBondContact O-OG1 2.95Å |
| 417 | I | 91.2 | Very high | 85.6 | Confident | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 144.1 | -179.8 | -65.1 | 178.1 | 0 | 0 | 0 | 110 | F30 L54 L55 S412 V429 F430 | F30-I417 HydrophobicContact CZ-CG2 3.95Å; L54-I417 HydrophobicContact CB-CD1 4.14Å; L55-I417 HydrophobicContact CB-CD1 4.35Å; L55-I417 HydrophobicContact CD2-CD1 3.41Å; L55-I417 VanDerWaalsContact CD2-CD1 3.41Å; L55-I417 HydrophobicContact CD2-CG1 3.66Å; L55-I417 HydrophobicContact CG-CD1 3.55Å; L55-I417 HydrophobicContact CG-CG1 4.35Å; S412-I417 WeakPolarHBondContact CB-O 3.45Å; S412-I417 PolarHBondContact N-O 2.93Å; S412-I417 WeakPolarHBondContact OG-CA 3.48Å; S412-I417 PolarHBondContact OG-N 2.98Å; S412-I417 PolarHBondContact OG-O 2.82Å; I417-V429 HydrophobicContact CG2-CG1 3.38Å; I417-F430 CarbonylContact C-O 3.57Å; I417-F430 VanDerWaalsContact CA-O 3.27Å; I417-F430 WeakPolarHBondContact CA-O 3.06Å |
| 418 | V | 92.3 | Very high | 86.2 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 1% | 0.006 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.3 | 168.5 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | L11 I370 L409 A410 F411 V420 V429 F430 T432 | L11-V418 HydrophobicContact CD1-CG2 4.38Å; I370-V418 HydrophobicContact CD1-CB 4.17Å; I370-V418 HydrophobicContact CD1-CG1 3.85Å; I370-V418 HydrophobicContact CD1-CG2 3.52Å; L409-V418 HydrophobicContact CD2-CG1 3.92Å; L409-V418 HydrophobicContact CG-CG1 4.47Å; A410-V418 WeakPolarHBondContact O-CA 3.19Å; F411-V418 HydrophobicContact CD1-CG2 3.41Å; F411-V418 VanDerWaalsContact CD1-CG2 3.41Å; F411-V418 HydrophobicContact CD2-CG2 4.31Å; F411-V418 HydrophobicContact CE1-CG2 3.29Å; F411-V418 HydrophobicContact CE2-CG2 4.22Å; F411-V418 HydrophobicContact CG-CG2 3.95Å; F411-V418 HydrophobicContact CZ-CG2 3.73Å; V418-V420 HydrophobicContact CG1-CG2 4.24Å; V418-V429 WeakPolarHBondContact O-CA 3.32Å; V418-F430 HydrophobicContact CB-CB 4.32Å; V418-F430 PolarHBondContact N-O 3.37Å; V418-F430 PolarHBondContact O-N 2.93Å; V418-T432 HydrophobicContact CG2-CG2 3.65Å |
| 419 | A | 92.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 139.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | F30 F37 A410 L428 | F30-A419 HydrophobicContact CE2-CB 3.63Å; F30-A419 HydrophobicContact CZ-CB 3.83Å; F37-A419 HydrophobicContact CD2-CB 4.42Å; F37-A419 HydrophobicContact CE2-CB 3.42Å; F37-A419 VanDerWaalsContact CE2-CB 3.42Å; F37-A419 HydrophobicContact CZ-CB 3.54Å; A410-A419 PolarHBondContact N-O 3.29Å; A410-A419 PolarHBondContact O-N 2.88Å; A419-L428 CarbonylContact C-O 3.56Å; A419-L428 WeakPolarHBondContact CA-O 3.19Å |
| 420 | V | 90.7 | Very high | 86.4 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 129 | 178.1 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | I372 I378 L396 L409 V418 V427 L428 F430 | I372-V420 HydrophobicContact CD1-CB 4.35Å; I372-V420 HydrophobicContact CD1-CG1 3.47Å; I372-V420 VanDerWaalsContact CD1-CG1 3.47Å; I372-V420 HydrophobicContact CD1-CG2 4.19Å; I372-V420 HydrophobicContact CG1-CG1 4.12Å; I378-V420 HydrophobicContact CD1-CB 4.29Å; I378-V420 HydrophobicContact CD1-CG1 4.01Å; I378-V420 HydrophobicContact CD1-CG2 3.89Å; L396-V420 HydrophobicContact CD2-CG1 3.97Å; L409-V420 HydrophobicContact CG-CG2 4.21Å; V418-V420 HydrophobicContact CG1-CG2 4.24Å; V420-V427 WeakPolarHBondContact O-CA 3.31Å; V420-L428 HydrophobicContact CB-CB 4.48Å; V420-L428 PolarHBondContact N-O 3.44Å; V420-L428 PolarHBondContact O-N 2.81Å; V420-F430 HydrophobicContact CB-CE2 4.14Å; V420-F430 HydrophobicContact CG2-CD2 4.15Å; V420-F430 HydrophobicContact CG2-CE2 3.91Å |
| 421 | T | 87.1 | Confident | 86.2 | Confident | 1 Ų | 1 | 18.8 Ų | 18.8 | 1% | 0.006 | 10% | 0.098 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 133 | 170.1 | 67.5 | 0 | 0 | 0 | 0 | 110.3 | I25 C28 S408 | I25-T421 HydrophobicContact CG2-CG2 3.48Å; I25-T421 VanDerWaalsContact CG2-CG2 3.48Å; I25-T421 WeakPolarHBondContact O-CB 3.4Å; I25-T421 PolarHBondContact O-OG1 3.11Å; C28-T421 HydrophobicContact CB-CG2 3.6Å; S408-T421 PolarHBondContact N-OG1 3.42Å; S408-T421 PolarHBondContact O-N 2.73Å; S408-T421 VanDerWaalsContact O-N 3.12Å |
| 422 | T | 79.1 | Confident | 85.8 | Confident | 6 Ų | 6 | 18.9 Ų | 18.9 | 4% | 0.037 | 10% | 0.1 | C | C | . | . | trans | -106 | 161.5 | 179 | 75.4 | 0 | 0 | 0 | 0 | 110.9 | L396 N424 D426 L428 | L396-T422 HydrophobicContact CD2-CG2 3.64Å; L396-T422 HydrophobicContact CG-CG2 4.4Å; T422-N424 PolarHBondContact OG1-N 2.87Å; T422-D426 PolarHBondContact N-O 3.06Å; T422-D426 WeakPolarHBondContact OG1-CB 3.36Å; T422-D426 PolarHBondContact OG1-N 3.24Å; T422-D426 VanDerWaalsContact OG1-N 3.13Å; T422-D426 PolarHBondContact OG1-O 2.81Å; T422-L428 HydrophobicContact CG2-CD1 3.71Å; T422-L428 HydrophobicContact CG2-CG 3.71Å | ||
| 423 | N | 71.4 | Confident | 84.9 | Confident | 24 Ų | 24 | 24.8 Ų | 24.8 | 13% | 0.128 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | -20 | 171.2 | 69.3 | -59.3 | 0 | 0 | 0 | 112.7 | A397 L398 Q399 H425 | A397-N423 VanDerWaalsContact O-CG 3.25Å; A397-N423 PolarHBondContact O-ND2 3.26Å; A397-N423 PolarHBondContact O-OD1 2.81Å; L398-N423 WeakPolarHBondContact CA-ND2 3.36Å; L398-N423 VanDerWaalsContact CA-OD1 3.26Å; L398-N423 WeakPolarHBondContact CA-OD1 3.32Å; L398-N423 HydrophobicContact CD2-CB 4.41Å; L398-N423 VanDerWaalsContact CD2-OD1 3.24Å; L398-N423 WeakPolarHBondContact CD2-OD1 3.42Å; Q399-N423 PolarHBondContact N-ND2 3.16Å; N423-H425 PolarHBondContact O-CE1 2.83Å; N423-H425 VanDerWaalsContact O-CE1 3.29Å; N423-H425 PolarHBondContact O-N 3Å; N423-H425 PolarHBondContact O-ND1 3Å |
| 424 | N | 67.8 | Low | 83.7 | Confident | 53 Ų | 53 | 23.4 Ų | 23.4 | 28% | 0.283 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | 16.6 | 178.1 | -87.3 | 20.2 | 0 | 0 | 0 | 112.2 | A397 T422 D426 | A397-N424 WeakPolarHBondContact CB-ND2 3.08Å; A397-N424 PolarHBondContact O-OD1 2.82Å; T422-N424 PolarHBondContact OG1-N 2.87Å; N424-D426 PolarHBondContact O-N 2.67Å |
| 425 | H | 74.3 | Confident | 82.3 | Confident | 28 Ų | 28 | 26.2 Ų | 26.2 | 13% | 0.13 | 12% | 0.122 | C | C | . | . | S | Bend | trans | 69.1 | 21 | 176.9 | -36.4 | -61.8 | 0 | 0 | 0 | 112.7 | G19 Q22 N23 N24 I25 N423 | G19-H425 PolarHBondContact N-O 3.19Å; Q22-H425 VanDerWaalsContact C-CD2 3.48Å; Q22-H425 VanDerWaalsContact C-CE1 3.42Å; Q22-H425 VanDerWaalsContact C-ND1 3.33Å; Q22-H425 WeakPolarHBondContact CA-CD2 3.48Å; Q22-H425 VanDerWaalsContact CA-CG 3.5Å; Q22-H425 VanDerWaalsContact CB-CD2 3.43Å; Q22-H425 WeakPolarHBondContact CB-CD2 3.35Å; Q22-H425 PolarHBondContact O-CE1 2.82Å; Q22-H425 PolarHBondContact O-NE2 3.48Å; N23-H425 PolarHBondContact N-ND1 3.36Å; N23-H425 VanDerWaalsContact O-CB 3.27Å; N23-H425 WeakPolarHBondContact O-CB 3.47Å; N23-H425 VanDerWaalsContact O-CG 3.28Å; N23-H425 PolarHBondContact O-ND1 2.85Å; N24-H425 PolarHBondContact N-ND1 3.07Å; N24-H425 PolarHBondContact OD1-CE1 3.29Å; N24-H425 VanDerWaalsContact OD1-CE1 3.29Å; I25-H425 WeakPolarHBondContact CD1-O 3.25Å; N423-H425 PolarHBondContact O-CE1 2.83Å; N423-H425 VanDerWaalsContact O-CE1 3.29Å; N423-H425 PolarHBondContact O-N 3Å; N423-H425 PolarHBondContact O-ND1 3Å |
| 426 | D | 82.3 | Confident | 80.8 | Confident | 22 Ų | 22 | 30.2 Ų | 30.2 | 12% | 0.118 | 15% | 0.149 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 144.8 | -180 | -57.4 | -27.2 | 0 | 0 | 0 | 111.7 | Y17 H18 T422 N424 L428 | Y17-D426 CarbonylContact O-C 3.58Å; Y17-D426 WeakPolarHBondContact O-CA 3.45Å; Y17-D426 WeakPolarHBondContact O-CB 3.45Å; H18-D426 WeakPolarHBondContact CA-OD1 3.28Å; H18-D426 IonicContact CE1-OD1 3.63Å; H18-D426 IonicContact CE1-OD2 3.22Å; H18-D426 PolarHBondContact CE1-OD2 3.34Å; H18-D426 VanDerWaalsContact CE1-OD2 3.22Å; H18-D426 IonicContact CG-OD1 2.74Å; H18-D426 IonicContact ND1-OD1 2.71Å; H18-D426 PolarHBondContact ND1-OD1 3.45Å; H18-D426 IonicContact ND1-OD2 3.12Å; H18-D426 PolarHBondContact ND1-OD2 3.17Å; H18-D426 VanDerWaalsContact ND1-OD2 3.12Å; T422-D426 PolarHBondContact N-O 3.06Å; T422-D426 WeakPolarHBondContact OG1-CB 3.36Å; T422-D426 PolarHBondContact OG1-N 3.24Å; T422-D426 VanDerWaalsContact OG1-N 3.13Å; T422-D426 PolarHBondContact OG1-O 2.81Å; N424-D426 PolarHBondContact O-N 2.67Å; D426-L428 HydrophobicContact CB-CD2 4.38Å |
| 427 | V | 88.6 | Confident | 79.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.5 | 163.4 | -175.5 | 0 | 0 | 0 | 0 | 108.2 | A16 Y17 I25 F37 F39 V420 V429 | A16-V427 CarbonylContact C-O 3.57Å; A16-V427 WeakPolarHBondContact CA-O 3.35Å; Y17-V427 HydrophobicContact CD1-CG2 4.45Å; Y17-V427 PolarHBondContact N-O 2.94Å; Y17-V427 PolarHBondContact O-N 3.26Å; I25-V427 HydrophobicContact CD1-CG2 3.63Å; I25-V427 HydrophobicContact CG2-CG2 3.99Å; F37-V427 HydrophobicContact CE1-CG1 4.28Å; F37-V427 HydrophobicContact CZ-CG1 3.93Å; F39-V427 HydrophobicContact CB-CG2 4.3Å; F39-V427 HydrophobicContact CD1-CG2 4.27Å; F39-V427 HydrophobicContact CD2-CG2 3.57Å; F39-V427 HydrophobicContact CE1-CG2 4.49Å; F39-V427 HydrophobicContact CE2-CG2 3.86Å; F39-V427 HydrophobicContact CG-CG2 3.79Å; F39-V427 HydrophobicContact CZ-CG2 4.3Å; V420-V427 WeakPolarHBondContact O-CA 3.31Å; V427-V429 HydrophobicContact CG1-CG2 4.48Å |
| 428 | L | 88.8 | Confident | 78.7 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97 | 132.9 | 174.4 | -57 | -177 | 0 | 0 | 0 | 109.9 | L13 A16 L110 L396 A419 V420 T422 D426 F430 | L13-L428 HydrophobicContact CD1-CB 3.96Å; L13-L428 HydrophobicContact CD1-CD1 4.42Å; L13-L428 HydrophobicContact CD1-CD2 4.29Å; L13-L428 HydrophobicContact CD1-CG 4.44Å; A16-L428 HydrophobicContact CB-CD2 3.62Å; L110-L428 HydrophobicContact CD1-CD1 4.33Å; L110-L428 HydrophobicContact CD2-CD1 3.71Å; L110-L428 HydrophobicContact CD2-CD2 3.46Å; L110-L428 VanDerWaalsContact CD2-CD2 3.46Å; L110-L428 HydrophobicContact CD2-CG 4.23Å; L396-L428 HydrophobicContact CD1-CD1 4.12Å; L396-L428 HydrophobicContact CD2-CD1 3.82Å; L396-L428 HydrophobicContact CG-CD1 3.77Å; A419-L428 CarbonylContact C-O 3.56Å; A419-L428 WeakPolarHBondContact CA-O 3.19Å; V420-L428 HydrophobicContact CB-CB 4.48Å; V420-L428 PolarHBondContact N-O 3.44Å; V420-L428 PolarHBondContact O-N 2.81Å; T422-L428 HydrophobicContact CG2-CD1 3.71Å; T422-L428 HydrophobicContact CG2-CG 3.71Å; D426-L428 HydrophobicContact CB-CD2 4.38Å; L428-F430 HydrophobicContact CB-CD2 4.33Å; L428-F430 HydrophobicContact CB-CE2 3.6Å; L428-F430 HydrophobicContact CB-CZ 4.18Å; L428-F430 HydrophobicContact CD1-CE2 4.29Å; L428-F430 HydrophobicContact CD1-CZ 4.15Å |
| 429 | V | 91.8 | Very high | 78 | Confident | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 116.5 | 177.8 | -177.3 | 0 | 0 | 0 | 0 | 107.8 | S14 I15 W102 I417 V418 V427 | S14-V429 PolarHBondContact N-O 3.03Å; I15-V429 HydrophobicContact CB-CB 4.37Å; I15-V429 PolarHBondContact N-O 3.05Å; I15-V429 PolarHBondContact O-N 3.28Å; W102-V429 HydrophobicContact CH2-CG2 4.01Å; W102-V429 HydrophobicContact CZ3-CG2 3.77Å; I417-V429 HydrophobicContact CG2-CG1 3.38Å; V418-V429 WeakPolarHBondContact O-CA 3.32Å; V427-V429 HydrophobicContact CG1-CG2 4.48Å |
| 430 | F | 89.5 | Confident | 77 | Confident | 1 Ų | 1 | 43.3 Ų | 43.3 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 137 | 176.5 | -60.7 | -100.9 | 0 | 0 | 0 | 109.7 | L11 R12 L13 I378 Y393 L396 I417 V418 V420 L428 | L11-F430 HydrophobicContact CD1-CB 3.5Å; L11-F430 VanDerWaalsContact CD1-CB 3.5Å; L11-F430 HydrophobicContact CD1-CD1 4.25Å; L11-F430 HydrophobicContact CD1-CG 4.05Å; L11-F430 HydrophobicContact CD2-CD1 4.39Å; L11-F430 HydrophobicContact CG-CB 4.16Å; L11-F430 HydrophobicContact CG-CD1 4Å; L11-F430 HydrophobicContact CG-CG 4.32Å; R12-F430 CarbonylContact O-C 3.6Å; R12-F430 WeakPolarHBondContact O-CA 3.27Å; R12-F430 WeakPolarHBondContact O-CB 3.31Å; L13-F430 HydrophobicContact CB-CD1 3.89Å; L13-F430 HydrophobicContact CB-CE1 3.72Å; L13-F430 HydrophobicContact CD1-CD1 4.15Å; L13-F430 HydrophobicContact CD1-CD2 4.48Å; L13-F430 HydrophobicContact CD1-CE1 3.81Å; L13-F430 HydrophobicContact CD1-CE2 4.17Å; L13-F430 HydrophobicContact CD1-CG 4.46Å; L13-F430 HydrophobicContact CD1-CZ 3.8Å; L13-F430 HydrophobicContact CG-CE1 4.26Å; I378-F430 HydrophobicContact CD1-CE1 4.37Å; I378-F430 HydrophobicContact CD1-CE2 3.58Å; I378-F430 HydrophobicContact CD1-CZ 3.44Å; I378-F430 VanDerWaalsContact CD1-CZ 3.44Å; Y393-F430 HydrophobicContact CD1-CE1 4.33Å; Y393-F430 HydrophobicContact CD2-CD1 4.27Å; Y393-F430 AromaticContact CD2-CE1 3.89Å; Y393-F430 HydrophobicContact CD2-CE1 3.89Å; Y393-F430 HydrophobicContact CE2-CD1 4.22Å; Y393-F430 HydrophobicContact CE2-CE1 4.19Å; Y393-F430 AromaticContact CG-CE1 3.98Å; Y393-F430 HydrophobicContact CG-CE1 3.98Å; L396-F430 HydrophobicContact CD1-CZ 4.49Å; I417-F430 CarbonylContact C-O 3.57Å; I417-F430 VanDerWaalsContact CA-O 3.27Å; I417-F430 WeakPolarHBondContact CA-O 3.06Å; V418-F430 HydrophobicContact CB-CB 4.32Å; V418-F430 PolarHBondContact N-O 3.37Å; V418-F430 PolarHBondContact O-N 2.93Å; V420-F430 HydrophobicContact CB-CE2 4.14Å; V420-F430 HydrophobicContact CG2-CD2 4.15Å; V420-F430 HydrophobicContact CG2-CE2 3.91Å; L428-F430 HydrophobicContact CB-CD2 4.33Å; L428-F430 HydrophobicContact CB-CE2 3.6Å; L428-F430 HydrophobicContact CB-CZ 4.18Å; L428-F430 HydrophobicContact CD1-CE2 4.29Å; L428-F430 HydrophobicContact CD1-CZ 4.15Å |
| 431 | T | 87.7 | Confident | 76.2 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 11% | 0.11 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 139.5 | 163.7 | 54.2 | 0 | 0 | 0 | 0 | 110.1 | L11 R12 S14 C58 L59 R416 | L11-T431 CarbonylContact C-O 3.28Å; R12-T431 WeakPolarHBondContact CB-OG1 3.15Å; R12-T431 PolarHBondContact N-O 3.36Å; R12-T431 PolarHBondContact O-N 2.82Å; R12-T431 PolarHBondContact O-OG1 3.28Å; S14-T431 VanDerWaalsContact OG-CG2 3.23Å; S14-T431 WeakPolarHBondContact OG-CG2 3.36Å; S14-T431 PolarHBondContact OG-OG1 2.75Å; S14-T431 VanDerWaalsContact OG-OG1 3.12Å; C58-T431 HydrophobicContact CB-CG2 3.61Å; L59-T431 HydrophobicContact CD2-CG2 4.4Å; R416-T431 CarbonylContact O-C 3.58Å; R416-T431 VanDerWaalsContact O-CA 3.32Å; R416-T431 WeakPolarHBondContact O-CA 3.28Å |
| 432 | T | 84.7 | Confident | 75.7 | Confident | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.129 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 148.7 | 175.9 | 36.3 | 0 | 0 | 0 | 0 | 109.9 | P10 L11 F411 G415 R416 V418 S434 | P10-T432 WeakPolarHBondContact O-CA 3.42Å; L11-T432 HydrophobicContact CD1-CG2 3.34Å; F411-T432 HydrophobicContact CE1-CG2 4.11Å; G415-T432 PolarHBondContact O-OG1 3.01Å; R416-T432 WeakPolarHBondContact CA-OG1 3.19Å; R416-T432 PolarHBondContact O-N 3.07Å; R416-T432 PolarHBondContact O-OG1 2.95Å; V418-T432 HydrophobicContact CG2-CG2 3.65Å; T432-S434 PolarHBondContact O-N 3.24Å |
| 433 | R | 73.8 | Confident | 75.7 | Confident | 125 Ų | 125 | 51.7 Ų | 51.7 | 47% | 0.472 | 27% | 0.274 | S | S | . | . | trans | -72.3 | 78.7 | 162 | -57.7 | -162.4 | -142.9 | 178.7 | 12.7 | 108.8 | N7 E8 I9 P10 E435 | N7-R433 WeakPolarHBondContact O-CD 3.42Å; N7-R433 PolarHBondContact O-NE 3.33Å; N7-R433 PolarHBondContact O-NH1 3.27Å; E8-R433 PolarHBondContact O-NH2 2.88Å; I9-R433 WeakPolarHBondContact O-CG 3.26Å; P10-R433 PolarHBondContact O-N 3.21Å; R433-E435 PolarHBondContact O-N 2.81Å | ||
| 434 | S | 63.5 | Low | 76 | Confident | 18 Ų | 18 | 52.7 Ų | 52.7 | 13% | 0.126 | 28% | 0.279 | C | S | . | . | trans | -76.8 | 104.6 | 153.4 | 175.8 | 0 | 0 | 0 | 0 | 105.8 | C414 G415 T432 S436 | C414-S434 PolarHBondContact O-OG 3.49Å; G415-S434 WeakPolarHBondContact O-CB 3.04Å; T432-S434 PolarHBondContact O-N 3.24Å; S434-S436 PolarHBondContact O-N 3.44Å | ||
| 435 | E | 55.7 | Low | 76.5 | Confident | 114 Ų | 114 | 51.3 Ų | 51.3 | 53% | 0.533 | 27% | 0.271 | S | S | . | . | trans | -48.1 | 120 | 153.3 | -69.3 | -164.1 | 176.9 | 0 | 0 | 104.8 | R433 I437 R438 | R433-E435 PolarHBondContact O-N 2.81Å; E435-I437 PolarHBondContact O-N 3.04Å; E435-R438 IonicContact OE1-NH2 2.71Å; E435-R438 PolarHBondContact OE1-NH2 2.98Å; E435-R438 IonicContact OE2-CZ 3.97Å; E435-R438 IonicContact OE2-NE 3.88Å; E435-R438 PolarHBondContact OE2-NE 3.1Å; E435-R438 IonicContact OE2-NH2 3.33Å; E435-R438 PolarHBondContact OE2-NH2 2.82Å; E435-R438 VanDerWaalsContact OE2-NH2 3.08Å | ||
| 436 | S | 56.6 | Low | 76.8 | Confident | 87 Ų | 87 | 54.2 Ų | 54.2 | 61% | 0.608 | 29% | 0.29 | S | S | * | . | trans | -46.5 | 113 | 168.1 | 52.7 | 0 | 0 | 0 | 0 | 106.2 | S434 R438 | S434-S436 PolarHBondContact O-N 3.44Å; S436-R438 PolarHBondContact O-N 2.91Å | ||
| 437 | I | 63.4 | Low | 76.8 | Confident | 50 Ų | 50 | 54 Ų | 54 | 26% | 0.256 | 29% | 0.289 | S | S | . | . | trans | -48.1 | 111.7 | -165.5 | -55 | 174.5 | 0 | 0 | 0 | 107.2 | D365 E435 L439 T441 Q442 | D365-I437 HydrophobicContact CB-CD1 3.93Å; D365-I437 HydrophobicContact CB-CG1 3.93Å; E435-I437 PolarHBondContact O-N 3.04Å; I437-L439 PolarHBondContact O-N 2.81Å; I437-T441 HydrophobicContact CG2-CG2 3.52Å; I437-Q442 HydrophobicContact CB-CG 3.84Å; I437-Q442 HydrophobicContact CG2-CB 4.43Å; I437-Q442 HydrophobicContact CG2-CG 3.42Å; I437-Q442 VanDerWaalsContact CG2-CG 3.42Å | ||
| 438 | R | 71.8 | Confident | 76.4 | Confident | 159 Ų | 159 | 57.3 Ų | 57.3 | 60% | 0.6 | 30% | 0.301 | S | S | * | . | trans | -54.7 | 142.8 | -176.7 | -60.7 | -176.7 | -166 | -166.3 | 1.1 | 107.6 | E435 S436 G440 T441 Q442 | E435-R438 IonicContact OE1-NH2 2.71Å; E435-R438 PolarHBondContact OE1-NH2 2.98Å; E435-R438 IonicContact OE2-CZ 3.97Å; E435-R438 IonicContact OE2-NE 3.88Å; E435-R438 PolarHBondContact OE2-NE 3.1Å; E435-R438 IonicContact OE2-NH2 3.33Å; E435-R438 PolarHBondContact OE2-NH2 2.82Å; E435-R438 VanDerWaalsContact OE2-NH2 3.08Å; S436-R438 PolarHBondContact O-N 2.91Å; R438-G440 PolarHBondContact O-N 2.8Å; R438-T441 WeakPolarHBondContact O-CA 3.35Å; R438-T441 VanDerWaalsContact O-CB 3.29Å; R438-T441 WeakPolarHBondContact O-CB 3.3Å; R438-T441 PolarHBondContact O-N 2.77Å; R438-Q442 PolarHBondContact O-N 2.56Å | ||
| 439 | L | 76.1 | Confident | 76.2 | Confident | 127 Ų | 127 | 62.2 Ų | 62.2 | 67% | 0.665 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -50.7 | -39.6 | -179 | -179.9 | 63.2 | 0 | 0 | 0 | 111.8 | I437 T441 Q442 C443 | I437-L439 PolarHBondContact O-N 2.81Å; L439-T441 VanDerWaalsContact C-N 3.33Å; L439-T441 PolarHBondContact O-N 3.29Å; L439-Q442 PolarHBondContact O-N 2.94Å; L439-C443 PolarHBondContact O-N 2.93Å; L439-C443 PolarHBondContact O-SG 3.13Å |
| 440 | G | 73.3 | Confident | 75.8 | Confident | 54 Ų | 54 | 64.4 Ų | 64.4 | 56% | 0.557 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -58.7 | -40.6 | 175 | 0 | 0 | 0 | 0 | 0 | 113.6 | R438 L444 | R438-G440 PolarHBondContact O-N 2.8Å; G440-L444 WeakPolarHBondContact O-CB 3.38Å; G440-L444 PolarHBondContact O-N 2.83Å |
| 441 | T | 73.5 | Confident | 75.4 | Confident | 28 Ų | 28 | 64.5 Ų | 64.5 | 17% | 0.172 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.7 | -44.2 | 175.1 | -58.5 | 0 | 0 | 0 | 0 | 111.1 | F367 I437 R438 L439 C443 L444 H445 | F367-T441 HydrophobicContact CE2-CG2 3.56Å; F367-T441 HydrophobicContact CZ-CG2 3.5Å; F367-T441 VanDerWaalsContact CZ-CG2 3.5Å; I437-T441 HydrophobicContact CG2-CG2 3.52Å; R438-T441 WeakPolarHBondContact O-CA 3.35Å; R438-T441 VanDerWaalsContact O-CB 3.29Å; R438-T441 WeakPolarHBondContact O-CB 3.3Å; R438-T441 PolarHBondContact O-N 2.77Å; L439-T441 VanDerWaalsContact C-N 3.33Å; L439-T441 PolarHBondContact O-N 3.29Å; T441-C443 VanDerWaalsContact C-N 3.34Å; T441-C443 PolarHBondContact O-N 3.29Å; T441-L444 WeakPolarHBondContact O-CB 3.15Å; T441-L444 PolarHBondContact O-N 2.84Å; T441-L444 VanDerWaalsContact O-N 3.15Å; T441-H445 WeakPolarHBondContact CG2-CE1 3.41Å; T441-H445 WeakPolarHBondContact CG2-ND1 3.33Å; T441-H445 PolarHBondContact O-N 2.96Å; T441-H445 PolarHBondContact O-ND1 2.92Å |
| 442 | Q | 76.7 | Confident | 75.1 | Confident | 94 Ų | 94 | 63.9 Ų | 63.9 | 44% | 0.439 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -59.2 | -46.6 | 175.9 | -63.7 | -177.4 | -17.3 | 0 | 0 | 111.3 | I437 R438 L439 L444 H445 V446 | I437-Q442 HydrophobicContact CB-CG 3.84Å; I437-Q442 HydrophobicContact CG2-CB 4.43Å; I437-Q442 HydrophobicContact CG2-CG 3.42Å; I437-Q442 VanDerWaalsContact CG2-CG 3.42Å; R438-Q442 PolarHBondContact O-N 2.56Å; L439-Q442 PolarHBondContact O-N 2.94Å; Q442-L444 VanDerWaalsContact C-N 3.29Å; Q442-L444 PolarHBondContact O-N 3.35Å; Q442-H445 PolarHBondContact O-N 3.19Å; Q442-V446 WeakPolarHBondContact O-CG2 3.46Å; Q442-V446 PolarHBondContact O-N 2.7Å |
| 443 | C | 79 | Confident | 75.1 | Confident | 62 Ų | 62 | 65.9 Ų | 65.9 | 42% | 0.419 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -56.7 | -45.3 | 174.8 | -69.3 | 0 | 0 | 0 | 0 | 111.2 | L439 T441 H445 V446 I447 | L439-C443 PolarHBondContact O-N 2.93Å; L439-C443 PolarHBondContact O-SG 3.13Å; T441-C443 VanDerWaalsContact C-N 3.34Å; T441-C443 PolarHBondContact O-N 3.29Å; C443-H445 PolarHBondContact O-N 2.86Å; C443-V446 PolarHBondContact O-N 2.88Å; C443-I447 VanDerWaalsContact O-CD1 3.28Å; C443-I447 WeakPolarHBondContact O-CD1 3.47Å; C443-I447 WeakPolarHBondContact O-CG1 3.4Å; C443-I447 PolarHBondContact O-N 2.91Å |
| 444 | L | 77.2 | Confident | 75.4 | Confident | 44 Ų | 44 | 62 Ų | 62 | 23% | 0.23 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60.6 | -43.9 | 178.8 | -156.7 | 106.8 | 0 | 0 | 0 | 111.8 | G440 T441 Q442 I447 R448 F507 | G440-L444 WeakPolarHBondContact O-CB 3.38Å; G440-L444 PolarHBondContact O-N 2.83Å; T441-L444 WeakPolarHBondContact O-CB 3.15Å; T441-L444 PolarHBondContact O-N 2.84Å; T441-L444 VanDerWaalsContact O-N 3.15Å; Q442-L444 VanDerWaalsContact C-N 3.29Å; Q442-L444 PolarHBondContact O-N 3.35Å; L444-I447 PolarHBondContact O-N 2.9Å; L444-R448 VanDerWaalsContact CD2-CZ 3.46Å; L444-R448 WeakPolarHBondContact O-CG 3.1Å; L444-R448 PolarHBondContact O-N 3.22Å; L444-F507 HydrophobicContact CD1-CE2 3.97Å; L444-F507 HydrophobicContact CD1-CZ 4.5Å; L444-F507 HydrophobicContact CD2-CE2 4.39Å; L444-F507 HydrophobicContact CD2-CZ 4.13Å; L444-F507 HydrophobicContact CG-CE2 3.99Å; L444-F507 HydrophobicContact CG-CZ 4.04Å |
| 445 | H | 77.6 | Confident | 76.2 | Confident | 24 Ų | 24 | 61.2 Ų | 61.2 | 11% | 0.111 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 176.1 | -75.2 | 85.5 | 0 | 0 | 0 | 112.4 | D365 D366 T441 Q442 C443 I447 R448 R449 | D365-H445 PolarHBondContact O-CE1 3.04Å; D365-H445 PolarHBondContact O-NE2 3.38Å; D366-H445 IonicContact OD2-CD2 2.77Å; D366-H445 IonicContact OD2-NE2 3.47Å; T441-H445 WeakPolarHBondContact CG2-CE1 3.41Å; T441-H445 WeakPolarHBondContact CG2-ND1 3.33Å; T441-H445 PolarHBondContact O-N 2.96Å; T441-H445 PolarHBondContact O-ND1 2.92Å; Q442-H445 PolarHBondContact O-N 3.19Å; C443-H445 PolarHBondContact O-N 2.86Å; H445-I447 VanDerWaalsContact C-N 3.29Å; H445-I447 PolarHBondContact O-N 2.93Å; H445-R448 WeakPolarHBondContact O-CB 3.13Å; H445-R448 PolarHBondContact O-N 3.21Å; H445-R449 VanDerWaalsContact O-CB 3.25Å; H445-R449 WeakPolarHBondContact O-CB 3.21Å; H445-R449 PolarHBondContact O-N 3.07Å |
| 446 | V | 81.5 | Confident | 77.3 | Confident | 89 Ų | 89 | 56.3 Ų | 56.3 | 54% | 0.539 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 176.4 | 173.5 | 0 | 0 | 0 | 0 | 110.4 | Q442 C443 R449 C450 | Q442-V446 WeakPolarHBondContact O-CG2 3.46Å; Q442-V446 PolarHBondContact O-N 2.7Å; C443-V446 PolarHBondContact O-N 2.88Å; V446-R449 PolarHBondContact O-N 3.28Å; V446-C450 WeakPolarHBondContact O-CB 3.45Å; V446-C450 PolarHBondContact O-N 3.29Å; V446-C450 PolarHBondContact O-SG 2.82Å |
| 447 | I | 81.2 | Confident | 78.4 | Confident | 18 Ų | 18 | 56.8 Ų | 56.8 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 176.6 | -68.2 | 156.4 | 0 | 0 | 0 | 110.6 | C443 L444 H445 R449 C450 V451 L495 I503 | C443-I447 VanDerWaalsContact O-CD1 3.28Å; C443-I447 WeakPolarHBondContact O-CD1 3.47Å; C443-I447 WeakPolarHBondContact O-CG1 3.4Å; C443-I447 PolarHBondContact O-N 2.91Å; L444-I447 PolarHBondContact O-N 2.9Å; H445-I447 VanDerWaalsContact C-N 3.29Å; H445-I447 PolarHBondContact O-N 2.93Å; I447-R449 VanDerWaalsContact C-N 3.33Å; I447-R449 PolarHBondContact O-N 3.04Å; I447-C450 PolarHBondContact O-N 2.92Å; I447-V451 HydrophobicContact CG2-CG2 4.39Å; I447-V451 VanDerWaalsContact O-CG2 3.29Å; I447-V451 WeakPolarHBondContact O-CG2 3.35Å; I447-V451 PolarHBondContact O-N 3.05Å; I447-L495 HydrophobicContact CD1-CD1 4.28Å; I447-L495 HydrophobicContact CG1-CD1 4.24Å; I447-I503 HydrophobicContact CD1-CD1 3.36Å; I447-I503 HydrophobicContact CD1-CG1 4Å; I447-I503 HydrophobicContact CG1-CD1 4.21Å; I447-I503 HydrophobicContact CG2-CD1 4.12Å; I447-I503 HydrophobicContact CG2-CG2 3.94Å |
| 448 | R | 81.8 | Confident | 78.7 | Confident | 69 Ų | 69 | 57.2 Ų | 57.2 | 26% | 0.26 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -53.8 | -52.6 | 175.7 | -74.4 | -170.5 | 178.3 | 159.3 | -4.3 | 111.1 | D310 L444 H445 C450 V451 V452 F507 | D310-R448 HydrophobicContact CB-CB 3.95Å; D310-R448 WeakPolarHBondContact OD2-CD 3.19Å; D310-R448 IonicContact OD2-NH1 3.27Å; L444-R448 VanDerWaalsContact CD2-CZ 3.46Å; L444-R448 WeakPolarHBondContact O-CG 3.1Å; L444-R448 PolarHBondContact O-N 3.22Å; H445-R448 WeakPolarHBondContact O-CB 3.13Å; H445-R448 PolarHBondContact O-N 3.21Å; R448-C450 PolarHBondContact O-N 3.13Å; R448-V451 PolarHBondContact O-N 3.28Å; R448-V452 VanDerWaalsContact O-CG2 3.31Å; R448-V452 WeakPolarHBondContact O-CG2 3.24Å; R448-V452 PolarHBondContact O-N 3.43Å; R448-F507 HydrophobicContact CG-CE1 3.37Å; R448-F507 HydrophobicContact CG-CE2 4.48Å; R448-F507 HydrophobicContact CG-CZ 3.21Å |
| 449 | R | 84.2 | Confident | 78.3 | Confident | 103 Ų | 103 | 50.8 Ų | 50.8 | 39% | 0.389 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -54 | -51.4 | 179.6 | -172.9 | -178.5 | 168.1 | 138.9 | 3.2 | 111.2 | F266 D310 H445 V446 I447 V451 V452 E453 | F266-R449 HydrophobicContact CE1-CG 3.33Å; F266-R449 HydrophobicContact CZ-CB 4.48Å; F266-R449 HydrophobicContact CZ-CG 3.55Å; F266-R449 VanDerWaalsContact CZ-O 3.31Å; F266-R449 WeakPolarHBondContact CZ-O 3.11Å; D310-R449 WeakPolarHBondContact O-CA 3.42Å; H445-R449 VanDerWaalsContact O-CB 3.25Å; H445-R449 WeakPolarHBondContact O-CB 3.21Å; H445-R449 PolarHBondContact O-N 3.07Å; V446-R449 PolarHBondContact O-N 3.28Å; I447-R449 VanDerWaalsContact C-N 3.33Å; I447-R449 PolarHBondContact O-N 3.04Å; R449-V451 VanDerWaalsContact C-N 3.31Å; R449-V451 PolarHBondContact O-N 2.92Å; R449-V452 PolarHBondContact O-N 2.88Å; R449-E453 VanDerWaalsContact O-CB 3.29Å; R449-E453 WeakPolarHBondContact O-CB 3.43Å; R449-E453 PolarHBondContact O-N 3.35Å |
| 450 | C | 82.6 | Confident | 77.3 | Confident | 48 Ų | 48 | 45.8 Ų | 45.8 | 32% | 0.324 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -60.2 | -39.2 | 177.4 | -71.8 | 0 | 0 | 0 | 0 | 112.8 | V446 I447 R448 N454 I493 | V446-C450 WeakPolarHBondContact O-CB 3.45Å; V446-C450 PolarHBondContact O-N 3.29Å; V446-C450 PolarHBondContact O-SG 2.82Å; I447-C450 PolarHBondContact O-N 2.92Å; R448-C450 PolarHBondContact O-N 3.13Å; C450-N454 WeakPolarHBondContact O-CB 3.28Å; C450-N454 PolarHBondContact O-N 2.87Å; C450-N454 VanDerWaalsContact O-N 3.14Å; C450-N454 PolarHBondContact O-ND2 3.18Å; C450-N454 VanDerWaalsContact O-ND2 3.09Å; C450-I493 HydrophobicContact CB-CD1 4.32Å |
| 451 | V | 81.7 | Confident | 76 | Confident | 3 Ų | 3 | 49.5 Ų | 49.5 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.6 | -49 | 179.6 | 173.1 | 0 | 0 | 0 | 0 | 111.2 | I447 R448 R449 E453 N454 I455 F486 C489 I490 I493 | I447-V451 HydrophobicContact CG2-CG2 4.39Å; I447-V451 VanDerWaalsContact O-CG2 3.29Å; I447-V451 WeakPolarHBondContact O-CG2 3.35Å; I447-V451 PolarHBondContact O-N 3.05Å; R448-V451 PolarHBondContact O-N 3.28Å; R449-V451 VanDerWaalsContact C-N 3.31Å; R449-V451 PolarHBondContact O-N 2.92Å; V451-E453 VanDerWaalsContact C-N 3.33Å; V451-E453 PolarHBondContact O-N 3.37Å; V451-N454 PolarHBondContact O-N 3.47Å; V451-I455 HydrophobicContact CG1-CD1 3.57Å; V451-I455 HydrophobicContact CG1-CG1 4.36Å; V451-I455 WeakPolarHBondContact O-CD1 3.28Å; V451-I455 VanDerWaalsContact O-CG1 3.28Å; V451-I455 WeakPolarHBondContact O-CG1 3.3Å; V451-I455 PolarHBondContact O-N 3.39Å; V451-F486 HydrophobicContact CB-CE2 4.37Å; V451-F486 HydrophobicContact CG1-CD2 3.43Å; V451-F486 VanDerWaalsContact CG1-CD2 3.43Å; V451-F486 HydrophobicContact CG1-CE2 3.59Å; V451-F486 HydrophobicContact CG1-CG 4.5Å; V451-F486 HydrophobicContact CG2-CE2 4.31Å; V451-C489 HydrophobicContact CG1-CB 4.44Å; V451-I490 HydrophobicContact CG2-CG1 4.14Å; V451-I493 HydrophobicContact CG2-CD1 4.06Å |
| 452 | V | 81.9 | Confident | 74.4 | Confident | 5 Ų | 5 | 51.8 Ų | 51.8 | 3% | 0.03 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 177.9 | 177.4 | 0 | 0 | 0 | 0 | 110.7 | F266 R448 R449 N454 I455 L456 | F266-V452 HydrophobicContact CE2-CB 4.34Å; F266-V452 HydrophobicContact CE2-CG1 4.04Å; R448-V452 VanDerWaalsContact O-CG2 3.31Å; R448-V452 WeakPolarHBondContact O-CG2 3.24Å; R448-V452 PolarHBondContact O-N 3.43Å; R449-V452 PolarHBondContact O-N 2.88Å; V452-N454 VanDerWaalsContact C-N 3.33Å; V452-N454 PolarHBondContact O-N 3.11Å; V452-I455 PolarHBondContact O-N 3.47Å; V452-L456 HydrophobicContact CG1-CD1 3.88Å; V452-L456 HydrophobicContact CG1-CG 4.31Å; V452-L456 WeakPolarHBondContact O-CB 3.48Å; V452-L456 WeakPolarHBondContact O-CG 3.49Å; V452-L456 PolarHBondContact O-N 3.39Å |
| 453 | E | 84 | Confident | 72.7 | Confident | 62 Ų | 62 | 48.7 Ų | 48.7 | 29% | 0.29 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -58 | -45.9 | 176.4 | -170.4 | -173.5 | 159.7 | 0 | 0 | 111.6 | F266 R449 V451 L456 K457 | F266-E453 HydrophobicContact CD2-CB 4.24Å; F266-E453 HydrophobicContact CD2-CG 4.33Å; F266-E453 HydrophobicContact CE1-CB 4.21Å; F266-E453 HydrophobicContact CE2-CB 3.68Å; F266-E453 HydrophobicContact CE2-CG 4.26Å; F266-E453 HydrophobicContact CZ-CB 3.7Å; F266-E453 HydrophobicContact CZ-CG 4.4Å; R449-E453 VanDerWaalsContact O-CB 3.29Å; R449-E453 WeakPolarHBondContact O-CB 3.43Å; R449-E453 PolarHBondContact O-N 3.35Å; V451-E453 VanDerWaalsContact C-N 3.33Å; V451-E453 PolarHBondContact O-N 3.37Å; E453-L456 PolarHBondContact O-N 3.04Å; E453-K457 HydrophobicContact CG-CD 4.46Å; E453-K457 WeakPolarHBondContact O-CG 3.23Å; E453-K457 PolarHBondContact O-N 2.94Å; E453-K457 WeakPolarHBondContact OE1-CE 3.42Å; E453-K457 IonicContact OE1-NZ 2.64Å; E453-K457 PolarHBondContact OE1-NZ 2.94Å |
| 454 | N | 80.9 | Confident | 70.6 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 23% | 0.23 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.2 | -37.1 | 178.4 | -78.8 | -34.2 | 0 | 0 | 0 | 112.8 | C450 V451 V452 K458 C489 | C450-N454 WeakPolarHBondContact O-CB 3.28Å; C450-N454 PolarHBondContact O-N 2.87Å; C450-N454 VanDerWaalsContact O-N 3.14Å; C450-N454 PolarHBondContact O-ND2 3.18Å; C450-N454 VanDerWaalsContact O-ND2 3.09Å; V451-N454 PolarHBondContact O-N 3.47Å; V452-N454 VanDerWaalsContact C-N 3.33Å; V452-N454 PolarHBondContact O-N 3.11Å; N454-K458 WeakPolarHBondContact O-CG 3.23Å; N454-K458 PolarHBondContact O-N 3.42Å; N454-K458 VanDerWaalsContact O-N 3.11Å; N454-C489 HydrophobicContact CB-CB 4.38Å |
| 455 | I | 78.9 | Confident | 68.5 | Low | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.5 | -54.4 | 174.8 | -67.5 | 158.4 | 0 | 0 | 0 | 108.8 | P329 V451 V452 K457 K458 T459 Y482 | P329-I455 HydrophobicContact CG-CG2 3.79Å; V451-I455 HydrophobicContact CG1-CD1 3.57Å; V451-I455 HydrophobicContact CG1-CG1 4.36Å; V451-I455 WeakPolarHBondContact O-CD1 3.28Å; V451-I455 VanDerWaalsContact O-CG1 3.28Å; V451-I455 WeakPolarHBondContact O-CG1 3.3Å; V451-I455 PolarHBondContact O-N 3.39Å; V452-I455 PolarHBondContact O-N 3.47Å; I455-K457 VanDerWaalsContact C-N 3.28Å; I455-K457 PolarHBondContact O-N 3.17Å; I455-K458 CarbonylContact O-C 3.56Å; I455-K458 WeakPolarHBondContact O-CA 3.29Å; I455-K458 PolarHBondContact O-N 3.31Å; I455-T459 PolarHBondContact O-N 2.97Å; I455-T459 PolarHBondContact O-OG1 2.93Å; I455-Y482 HydrophobicContact CD1-CD2 4.44Å; I455-Y482 HydrophobicContact CD1-CE2 3.5Å; I455-Y482 WeakPolarHBondContact CD1-OH 3.42Å; I455-Y482 HydrophobicContact CG1-CE2 4.41Å; I455-Y482 HydrophobicContact CG2-CE2 4.2Å |
| 456 | L | 80.1 | Confident | 66.4 | Low | 11 Ų | 11 | 60.6 Ų | 60.6 | 6% | 0.058 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -53.5 | -43 | 178.5 | -75.4 | 169.8 | 0 | 0 | 0 | 112.4 | F266 P329 V452 E453 K458 I460 | F266-L456 HydrophobicContact CD2-CD1 3.79Å; F266-L456 HydrophobicContact CE2-CD1 3.98Å; P329-L456 HydrophobicContact CB-CD2 3.67Å; V452-L456 HydrophobicContact CG1-CD1 3.88Å; V452-L456 HydrophobicContact CG1-CG 4.31Å; V452-L456 WeakPolarHBondContact O-CB 3.48Å; V452-L456 WeakPolarHBondContact O-CG 3.49Å; V452-L456 PolarHBondContact O-N 3.39Å; E453-L456 PolarHBondContact O-N 3.04Å; L456-K458 PolarHBondContact O-N 3.08Å; L456-I460 VanDerWaalsContact O-CD1 3.27Å; L456-I460 WeakPolarHBondContact O-CD1 3.44Å; L456-I460 VanDerWaalsContact O-CG1 3.25Å; L456-I460 WeakPolarHBondContact O-CG1 3.29Å; L456-I460 PolarHBondContact O-N 2.74Å |
| 457 | K | 78.1 | Confident | 64.1 | Low | 98 Ų | 98 | 61.2 Ų | 61.2 | 43% | 0.426 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.3 | -41 | 174.3 | -75.1 | 174.6 | -176.1 | 170.4 | 0 | 112.7 | E453 I455 | E453-K457 HydrophobicContact CG-CD 4.46Å; E453-K457 WeakPolarHBondContact O-CG 3.23Å; E453-K457 PolarHBondContact O-N 2.94Å; E453-K457 WeakPolarHBondContact OE1-CE 3.42Å; E453-K457 IonicContact OE1-NZ 2.64Å; E453-K457 PolarHBondContact OE1-NZ 2.94Å; I455-K457 VanDerWaalsContact C-N 3.28Å; I455-K457 PolarHBondContact O-N 3.17Å |
| 458 | K | 70.5 | Confident | 61.9 | Low | 59 Ų | 59 | 67 Ų | 67 | 26% | 0.257 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -77.1 | -40.7 | -178.1 | -74.2 | 176.3 | -176.3 | 171.2 | 0 | 112.9 | N454 I455 L456 I460 H461 C462 L485 C489 | N454-K458 WeakPolarHBondContact O-CG 3.23Å; N454-K458 PolarHBondContact O-N 3.42Å; N454-K458 VanDerWaalsContact O-N 3.11Å; I455-K458 CarbonylContact O-C 3.56Å; I455-K458 WeakPolarHBondContact O-CA 3.29Å; I455-K458 PolarHBondContact O-N 3.31Å; L456-K458 PolarHBondContact O-N 3.08Å; K458-I460 PolarHBondContact O-N 3.2Å; K458-H461 WeakPolarHBondContact O-CB 3.49Å; K458-H461 PolarHBondContact O-N 3.23Å; K458-C462 PolarHBondContact O-N 3.01Å; K458-L485 HydrophobicContact CD-CD2 4.12Å; K458-C489 PolarHBondContact NZ-SG 2.93Å; K458-C489 VanDerWaalsContact NZ-SG 3.36Å |
| 459 | T | 64 | Low | 59.7 | Low | 23 Ų | 23 | 70 Ų | 70 | 14% | 0.141 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.8 | -36.4 | -179.9 | -36.5 | 0 | 0 | 0 | 0 | 111.4 | I455 C462 S463 L475 | I455-T459 PolarHBondContact O-N 2.97Å; I455-T459 PolarHBondContact O-OG1 2.93Å; T459-C462 PolarHBondContact O-N 3.12Å; T459-S463 PolarHBondContact O-N 3.02Å; T459-S463 PolarHBondContact O-OG 2.82Å; T459-L475 HydrophobicContact CG2-CD1 3.33Å; T459-L475 HydrophobicContact CG2-CD2 3.57Å; T459-L475 HydrophobicContact CG2-CG 4.01Å |
| 460 | I | 54.2 | Low | 57.1 | Low | 23 Ų | 23 | 69.7 Ų | 69.7 | 12% | 0.118 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.4 | -37.6 | 176.5 | -63 | 166.2 | 0 | 0 | 0 | 111.9 | R268 L456 K458 C462 S463 I464 | R268-I460 VanDerWaalsContact CZ-CD1 3.5Å; L456-I460 VanDerWaalsContact O-CD1 3.27Å; L456-I460 WeakPolarHBondContact O-CD1 3.44Å; L456-I460 VanDerWaalsContact O-CG1 3.25Å; L456-I460 WeakPolarHBondContact O-CG1 3.29Å; L456-I460 PolarHBondContact O-N 2.74Å; K458-I460 PolarHBondContact O-N 3.2Å; I460-C462 PolarHBondContact O-N 3.47Å; I460-S463 WeakPolarHBondContact CA-OG 3.46Å; I460-S463 PolarHBondContact O-N 2.82Å; I460-S463 PolarHBondContact O-OG 2.78Å; I460-S463 VanDerWaalsContact O-OG 3.05Å; I460-I464 HydrophobicContact CG2-CD1 3.69Å; I460-I464 HydrophobicContact CG2-CG1 4.21Å; I460-I464 WeakPolarHBondContact O-CB 3.49Å; I460-I464 VanDerWaalsContact O-CG1 3.28Å; I460-I464 WeakPolarHBondContact O-CG1 3.38Å; I460-I464 PolarHBondContact O-N 3.04Å |
| 461 | H | 46.9 | Very low | 54.9 | Low | 132 Ų | 132 | 74.1 Ų | 74.1 | 61% | 0.611 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64 | -29.3 | 174.8 | -96.5 | -52.3 | 0 | 0 | 0 | 112.8 | K458 K465 | K458-H461 WeakPolarHBondContact O-CB 3.49Å; K458-H461 PolarHBondContact O-N 3.23Å; H461-K465 WeakPolarHBondContact O-CG 3.23Å |
| 462 | C | 40.4 | Very low | 52.6 | Low | 76 Ų | 76 | 80.5 Ų | 80.5 | 51% | 0.514 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -76.9 | -42.3 | 173.3 | -68.1 | 0 | 0 | 0 | 0 | 112.2 | K458 T459 I460 K465 H466 | K458-C462 PolarHBondContact O-N 3.01Å; T459-C462 PolarHBondContact O-N 3.12Å; I460-C462 PolarHBondContact O-N 3.47Å; C462-K465 PolarHBondContact O-N 2.75Å; C462-H466 PolarHBondContact O-CD2 2.6Å; C462-H466 VanDerWaalsContact O-CD2 3.3Å; C462-H466 PolarHBondContact O-N 3.45Å |
| 463 | S | 39.7 | Very low | 50.3 | Low | 29 Ų | 29 | 83.4 Ų | 83.4 | 20% | 0.203 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -67 | -35.5 | 177.6 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | T459 I460 K465 H466 H467 | T459-S463 PolarHBondContact O-N 3.02Å; T459-S463 PolarHBondContact O-OG 2.82Å; I460-S463 WeakPolarHBondContact CA-OG 3.46Å; I460-S463 PolarHBondContact O-N 2.82Å; I460-S463 PolarHBondContact O-OG 2.78Å; I460-S463 VanDerWaalsContact O-OG 3.05Å; S463-K465 VanDerWaalsContact C-N 3.3Å; S463-K465 PolarHBondContact O-N 2.95Å; S463-H466 PolarHBondContact O-N 3.32Å; S463-H467 WeakPolarHBondContact O-CB 3.35Å; S463-H467 PolarHBondContact O-N 3.18Å |
| 464 | I | 35.6 | Very low | 47.9 | Very low | 103 Ų | 103 | 84.3 Ų | 84.3 | 53% | 0.528 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -35.8 | 173.1 | -67.9 | 167.9 | 0 | 0 | 0 | 111.4 | I460 | I460-I464 HydrophobicContact CG2-CD1 3.69Å; I460-I464 HydrophobicContact CG2-CG1 4.21Å; I460-I464 WeakPolarHBondContact O-CB 3.49Å; I460-I464 VanDerWaalsContact O-CG1 3.28Å; I460-I464 WeakPolarHBondContact O-CG1 3.38Å; I460-I464 PolarHBondContact O-N 3.04Å |
| 465 | K | 32.1 | Very low | 45.9 | Very low | 163 Ų | 163 | 85 Ų | 85 | 71% | 0.709 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -70.8 | -35.9 | 175.1 | -74.4 | -179.9 | 179.5 | -176.3 | 0 | 112.5 | H461 C462 S463 | H461-K465 WeakPolarHBondContact O-CG 3.23Å; C462-K465 PolarHBondContact O-N 2.75Å; S463-K465 VanDerWaalsContact C-N 3.3Å; S463-K465 PolarHBondContact O-N 2.95Å |
| 466 | H | 34.8 | Very low | 43.9 | Very low | 113 Ų | 113 | 90.5 Ų | 90.5 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -83.7 | -21.3 | 179.2 | -77.5 | -66.6 | 0 | 0 | 0 | 114.1 | C462 S463 N468 N469 L473 | C462-H466 PolarHBondContact O-CD2 2.6Å; C462-H466 VanDerWaalsContact O-CD2 3.3Å; C462-H466 PolarHBondContact O-N 3.45Å; S463-H466 PolarHBondContact O-N 3.32Å; H466-N468 PolarHBondContact O-N 3.36Å; H466-N468 VanDerWaalsContact O-N 3.12Å; H466-N469 CarbonylContact O-C 3.12Å; H466-N469 WeakPolarHBondContact O-CA 3.16Å; H466-N469 PolarHBondContact O-N 3.13Å; H466-L473 HydrophobicContact CB-CD2 4.2Å |
| 467 | H | 31.6 | Very low | 42 | Very low | 103 Ų | 103 | 91.7 Ų | 91.7 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -16 | 175 | -106.5 | -50.3 | 0 | 0 | 0 | 113.9 | S463 N469 | S463-H467 WeakPolarHBondContact O-CB 3.35Å; S463-H467 PolarHBondContact O-N 3.18Å; H467-N469 PolarHBondContact O-N 3.29Å |
| 468 | N | 36 | Very low | 40.5 | Very low | 140 Ų | 140 | 90.1 Ų | 90.1 | 75% | 0.749 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -15.5 | 168.5 | -78.4 | -6 | 0 | 0 | 0 | 113.2 | H466 | H466-N468 PolarHBondContact O-N 3.36Å; H466-N468 VanDerWaalsContact O-N 3.12Å |
| 469 | N | 35.3 | Very low | 39.4 | Very low | 132 Ų | 132 | 93 Ų | 93 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | S | Bend | trans | -144 | 98.5 | 178.6 | -80.2 | -28.8 | 0 | 0 | 0 | 109.5 | H466 H467 | H466-N469 CarbonylContact O-C 3.12Å; H466-N469 WeakPolarHBondContact O-CA 3.16Å; H466-N469 PolarHBondContact O-N 3.13Å; H467-N469 PolarHBondContact O-N 3.29Å |
| 470 | S | 30.6 | Very low | 38.8 | Very low | 95 Ų | 95 | 97.9 Ų | 97.9 | 66% | 0.664 | 53% | 0.531 | S | S | * | . | trans | 89.2 | 141.7 | 168.5 | 77 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 471 | N | 36.4 | Very low | 39.2 | Very low | 141 Ų | 141 | 101 Ų | 101 | 75% | 0.754 | 55% | 0.547 | S | S | * | . | S | Bend | trans | -94.7 | 1.5 | -164.2 | -88.3 | -14.4 | 0 | 0 | 0 | 115.8 | ||
| 472 | D | 32.3 | Very low | 39.7 | Very low | 138 Ų | 138 | 97.3 Ų | 97.3 | 74% | 0.738 | 53% | 0.528 | S | S | * | . | trans | -118.5 | 82.8 | -175.6 | -70.1 | -36.8 | 0 | 0 | 0 | 110.8 | T474 | D472-T474 PolarHBondContact O-N 3.16Š| ||
| 473 | L | 33 | Very low | 41 | Very low | 66 Ų | 66 | 96.4 Ų | 96.4 | 35% | 0.346 | 52% | 0.519 | S | S | . | . | trans | -86.7 | 86.1 | 169 | -81.7 | 154.6 | 0 | 0 | 0 | 109.1 | H466 L475 | H466-L473 HydrophobicContact CB-CD2 4.2Å; L473-L475 PolarHBondContact O-N 3.29Å | ||
| 474 | T | 34.3 | Very low | 42.3 | Very low | 81 Ų | 81 | 98.1 Ų | 98.1 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | trans | -72.5 | 119.1 | 150.3 | 52.2 | 0 | 0 | 0 | 0 | 106.5 | D472 T476 | D472-T474 PolarHBondContact O-N 3.16Å; T474-T476 PolarHBondContact O-N 3.38Å | ||
| 475 | L | 38.7 | Very low | 43.7 | Very low | 57 Ų | 57 | 95.4 Ų | 95.4 | 30% | 0.298 | 51% | 0.514 | S | S | . | . | trans | -73.2 | 62.2 | 174.4 | -151.9 | 93 | 0 | 0 | 0 | 109.6 | T459 L473 T477 | T459-L475 HydrophobicContact CG2-CD1 3.33Å; T459-L475 HydrophobicContact CG2-CD2 3.57Å; T459-L475 HydrophobicContact CG2-CG 4.01Å; L473-L475 PolarHBondContact O-N 3.29Å; L475-T477 HydrophobicContact CD2-CG2 4.25Å; L475-T477 HydrophobicContact CG-CG2 4.21Å; L475-T477 PolarHBondContact O-N 3.47Å | ||
| 476 | T | 36.7 | Very low | 45.4 | Very low | 117 Ų | 117 | 88 Ų | 88 | 72% | 0.718 | 48% | 0.482 | S | S | * | . | trans | -79.3 | 66.1 | 166.8 | 61.9 | 0 | 0 | 0 | 0 | 107.7 | T474 S478 | T474-T476 PolarHBondContact O-N 3.38Å; T476-S478 PolarHBondContact O-N 2.85Å | ||
| 477 | T | 41.9 | Very low | 47.1 | Very low | 37 Ų | 37 | 87.5 Ų | 87.5 | 23% | 0.227 | 48% | 0.48 | C | S | . | . | trans | -61 | 110.4 | 160.7 | 42.2 | 0 | 0 | 0 | 0 | 106 | L475 N479 | L475-T477 HydrophobicContact CD2-CG2 4.25Å; L475-T477 HydrophobicContact CG-CG2 4.21Å; L475-T477 PolarHBondContact O-N 3.47Å; T477-N479 PolarHBondContact O-N 2.9Å | ||
| 478 | S | 44.5 | Very low | 48.9 | Very low | 64 Ų | 64 | 86.8 Ų | 86.8 | 45% | 0.448 | 48% | 0.48 | S | S | . | . | trans | -48 | 137.2 | 168.3 | 55.5 | 0 | 0 | 0 | 0 | 108.4 | T476 N480 N481 Y482 | T476-S478 PolarHBondContact O-N 2.85Å; S478-N480 PolarHBondContact O-N 2.8Å; S478-N481 WeakPolarHBondContact O-CB 3.33Å; S478-N481 PolarHBondContact O-N 2.76Å; S478-Y482 PolarHBondContact O-N 3.07Å | ||
| 479 | N | 48.6 | Very low | 50.5 | Low | 121 Ų | 121 | 80.1 Ų | 80.1 | 65% | 0.647 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -49.7 | -28.8 | -179.5 | -78.7 | -7.3 | 0 | 0 | 0 | 112.6 | T477 N481 Y482 N483 | T477-N479 PolarHBondContact O-N 2.9Å; N479-N481 PolarHBondContact O-N 3.09Å; N479-Y482 PolarHBondContact O-N 2.65Å; N479-N483 PolarHBondContact O-N 3.3Å |
| 480 | N | 50.6 | Low | 52.2 | Low | 125 Ų | 125 | 74 Ų | 74 | 67% | 0.668 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -62.7 | -37.1 | 173.9 | -71.9 | -10 | 0 | 0 | 0 | 113.6 | S478 T484 | S478-N480 PolarHBondContact O-N 2.8Å; N480-T484 WeakPolarHBondContact O-CB 3.4Å; N480-T484 VanDerWaalsContact O-CG2 3.28Å; N480-T484 WeakPolarHBondContact O-CG2 3.45Å; N480-T484 PolarHBondContact O-N 3.01Å; N480-T484 PolarHBondContact O-OG1 3.36Å |
| 481 | N | 62.3 | Low | 54.1 | Low | 88 Ų | 88 | 72.8 Ų | 72.8 | 47% | 0.471 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.1 | -36.2 | 174.9 | -83 | -3.9 | 0 | 0 | 0 | 111.8 | S478 N479 T484 L485 | S478-N481 WeakPolarHBondContact O-CB 3.33Å; S478-N481 PolarHBondContact O-N 2.76Å; N479-N481 PolarHBondContact O-N 3.09Å; N481-T484 WeakPolarHBondContact CA-OG1 3.26Å; N481-T484 PolarHBondContact O-OG1 3.2Å; N481-L485 VanDerWaalsContact O-CB 3.25Å; N481-L485 WeakPolarHBondContact O-CB 3.44Å; N481-L485 WeakPolarHBondContact O-CD1 3.46Å; N481-L485 WeakPolarHBondContact O-CG 3.28Å; N481-L485 PolarHBondContact O-N 2.95Å |
| 482 | Y | 59.4 | Low | 55.7 | Low | 54 Ų | 54 | 71.7 Ų | 71.7 | 21% | 0.212 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -69.1 | -47.9 | 177.4 | -171.4 | -89.5 | 0 | 0 | 0 | 111.5 | E330 I455 S478 N479 T484 L485 F486 | E330-Y482 WeakPolarHBondContact OE1-CD2 3.43Å; E330-Y482 VanDerWaalsContact OE1-CE2 3.23Å; E330-Y482 WeakPolarHBondContact OE1-CE2 3.43Å; I455-Y482 HydrophobicContact CD1-CD2 4.44Å; I455-Y482 HydrophobicContact CD1-CE2 3.5Å; I455-Y482 WeakPolarHBondContact CD1-OH 3.42Å; I455-Y482 HydrophobicContact CG1-CE2 4.41Å; I455-Y482 HydrophobicContact CG2-CE2 4.2Å; S478-Y482 PolarHBondContact O-N 3.07Å; N479-Y482 PolarHBondContact O-N 2.65Å; Y482-T484 VanDerWaalsContact C-N 3.25Å; Y482-T484 PolarHBondContact O-N 3.14Å; Y482-L485 CarbonylContact O-C 3.53Å; Y482-L485 PolarHBondContact O-N 3.29Å; Y482-L485 VanDerWaalsContact O-N 3.15Å; Y482-F486 HydrophobicContact CD1-CB 4.31Å; Y482-F486 HydrophobicContact CE1-CB 4.21Å; Y482-F486 HydrophobicContact CE1-CD2 4.19Å; Y482-F486 HydrophobicContact CE1-CG 4.49Å; Y482-F486 WeakPolarHBondContact O-CB 3.48Å; Y482-F486 PolarHBondContact O-N 2.88Å |
| 483 | N | 65.7 | Low | 57.5 | Low | 58 Ų | 58 | 66.8 Ų | 66.8 | 31% | 0.31 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -58.6 | -39 | 178.1 | -78.3 | -18.6 | 0 | 0 | 0 | 112 | N479 Q487 | N479-N483 PolarHBondContact O-N 3.3Å; N483-Q487 WeakPolarHBondContact O-CB 3.18Å; N483-Q487 VanDerWaalsContact O-CG 3.25Å; N483-Q487 WeakPolarHBondContact O-CG 3.27Å; N483-Q487 PolarHBondContact O-N 2.79Å |
| 484 | T | 67.7 | Low | 59.5 | Low | 65 Ų | 65 | 73 Ų | 73 | 40% | 0.399 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.2 | -42.2 | 175 | 51.4 | 0 | 0 | 0 | 0 | 112.5 | N480 N481 Y482 F486 Q487 N488 | N480-T484 WeakPolarHBondContact O-CB 3.4Å; N480-T484 VanDerWaalsContact O-CG2 3.28Å; N480-T484 WeakPolarHBondContact O-CG2 3.45Å; N480-T484 PolarHBondContact O-N 3.01Å; N480-T484 PolarHBondContact O-OG1 3.36Å; N481-T484 WeakPolarHBondContact CA-OG1 3.26Å; N481-T484 PolarHBondContact O-OG1 3.2Å; Y482-T484 VanDerWaalsContact C-N 3.25Å; Y482-T484 PolarHBondContact O-N 3.14Å; T484-F486 VanDerWaalsContact C-N 3.34Å; T484-F486 PolarHBondContact O-N 3.19Å; T484-Q487 PolarHBondContact O-N 3.32Å; T484-N488 VanDerWaalsContact O-CB 3.28Å; T484-N488 WeakPolarHBondContact O-CB 3.42Å; T484-N488 PolarHBondContact O-N 3.34Å; T484-N488 PolarHBondContact O-ND2 3.4Å |
| 485 | L | 66.2 | Low | 61.4 | Low | 46 Ų | 46 | 71.5 Ų | 71.5 | 24% | 0.241 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -60.5 | -43.6 | 173.3 | -76.9 | 169.4 | 0 | 0 | 0 | 111.6 | K458 N481 Y482 N488 C489 | K458-L485 HydrophobicContact CD-CD2 4.12Å; N481-L485 VanDerWaalsContact O-CB 3.25Å; N481-L485 WeakPolarHBondContact O-CB 3.44Å; N481-L485 WeakPolarHBondContact O-CD1 3.46Å; N481-L485 WeakPolarHBondContact O-CG 3.28Å; N481-L485 PolarHBondContact O-N 2.95Å; Y482-L485 CarbonylContact O-C 3.53Å; Y482-L485 PolarHBondContact O-N 3.29Å; Y482-L485 VanDerWaalsContact O-N 3.15Å; L485-N488 CarbonylContact O-C 3.36Å; L485-N488 PolarHBondContact O-N 3.02Å; L485-C489 WeakPolarHBondContact O-CB 3.36Å; L485-C489 PolarHBondContact O-N 3.29Å; L485-C489 PolarHBondContact O-SG 3.32Å |
| 486 | F | 67.9 | Low | 63.3 | Low | 7 Ų | 7 | 72.6 Ų | 72.6 | 3% | 0.031 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.6 | -50 | 176.4 | -178 | -96.1 | 0 | 0 | 0 | 111.1 | V451 Y482 T484 N488 C489 I490 L504 F507 | V451-F486 HydrophobicContact CB-CE2 4.37Å; V451-F486 HydrophobicContact CG1-CD2 3.43Å; V451-F486 VanDerWaalsContact CG1-CD2 3.43Å; V451-F486 HydrophobicContact CG1-CE2 3.59Å; V451-F486 HydrophobicContact CG1-CG 4.5Å; V451-F486 HydrophobicContact CG2-CE2 4.31Å; Y482-F486 HydrophobicContact CD1-CB 4.31Å; Y482-F486 HydrophobicContact CE1-CB 4.21Å; Y482-F486 HydrophobicContact CE1-CD2 4.19Å; Y482-F486 HydrophobicContact CE1-CG 4.49Å; Y482-F486 WeakPolarHBondContact O-CB 3.48Å; Y482-F486 PolarHBondContact O-N 2.88Å; T484-F486 VanDerWaalsContact C-N 3.34Å; T484-F486 PolarHBondContact O-N 3.19Å; F486-N488 VanDerWaalsContact C-N 3.33Å; F486-N488 PolarHBondContact O-N 2.83Å; F486-C489 PolarHBondContact O-N 2.69Å; F486-I490 HydrophobicContact CD1-CD1 3.82Å; F486-I490 HydrophobicContact CE1-CD1 3.13Å; F486-I490 HydrophobicContact CE1-CG1 4.22Å; F486-I490 HydrophobicContact CE2-CD1 4.13Å; F486-I490 HydrophobicContact CZ-CD1 3.27Å; F486-I490 HydrophobicContact CZ-CG1 4.22Å; F486-I490 PolarHBondContact O-N 2.71Å; F486-L504 HydrophobicContact CD1-CD2 4.29Å; F486-L504 HydrophobicContact CE1-CD2 4.1Å; F486-F507 HydrophobicContact CE1-CB 3.52Å; F486-F507 HydrophobicContact CE1-CG 4.27Å; F486-F507 HydrophobicContact CE2-CB 4.01Å; F486-F507 AromaticContact CE2-CD1 3.95Å; F486-F507 HydrophobicContact CE2-CD1 3.95Å; F486-F507 HydrophobicContact CE2-CG 4.06Å; F486-F507 HydrophobicContact CZ-CB 3.13Å; F486-F507 AromaticContact CZ-CD1 3.79Å; F486-F507 HydrophobicContact CZ-CD1 3.79Å; F486-F507 HydrophobicContact CZ-CD2 4.07Å; F486-F507 AromaticContact CZ-CG 3.41Å; F486-F507 HydrophobicContact CZ-CG 3.41Å; F486-F507 VanDerWaalsContact CZ-CG 3.41Å |
| 487 | Q | 68.9 | Low | 65.3 | Low | 102 Ų | 102 | 71.2 Ų | 71.2 | 48% | 0.477 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -42.6 | 174.5 | -77.5 | -174.7 | -3.2 | 0 | 0 | 112.2 | N483 T484 C489 I490 S491 L504 | N483-Q487 WeakPolarHBondContact O-CB 3.18Å; N483-Q487 VanDerWaalsContact O-CG 3.25Å; N483-Q487 WeakPolarHBondContact O-CG 3.27Å; N483-Q487 PolarHBondContact O-N 2.79Å; T484-Q487 PolarHBondContact O-N 3.32Å; Q487-C489 VanDerWaalsContact C-N 3.35Å; Q487-C489 PolarHBondContact O-N 3Å; Q487-I490 PolarHBondContact O-N 2.83Å; Q487-S491 WeakPolarHBondContact O-CB 3.17Å; Q487-S491 PolarHBondContact O-N 3.22Å; Q487-L504 HydrophobicContact CG-CD2 3.83Å |
| 488 | N | 70 | Confident | 67 | Low | 88 Ų | 88 | 73.3 Ų | 73.3 | 47% | 0.471 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -66.3 | -34.1 | 176.2 | -73.5 | -25.4 | 0 | 0 | 0 | 112.8 | T484 L485 F486 S491 Q492 | T484-N488 VanDerWaalsContact O-CB 3.28Å; T484-N488 WeakPolarHBondContact O-CB 3.42Å; T484-N488 PolarHBondContact O-N 3.34Å; T484-N488 PolarHBondContact O-ND2 3.4Å; L485-N488 CarbonylContact O-C 3.36Å; L485-N488 PolarHBondContact O-N 3.02Å; F486-N488 VanDerWaalsContact C-N 3.33Å; F486-N488 PolarHBondContact O-N 2.83Å; N488-S491 PolarHBondContact O-OG 3.06Å; N488-Q492 VanDerWaalsContact O-CG 3.31Å; N488-Q492 WeakPolarHBondContact O-CG 3.49Å; N488-Q492 PolarHBondContact O-N 3.32Å |
| 489 | C | 69.3 | Low | 68.4 | Low | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -72.2 | -44 | 175.7 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | V451 N454 K458 L485 F486 Q487 S491 Q492 I493 | V451-C489 HydrophobicContact CG1-CB 4.44Å; N454-C489 HydrophobicContact CB-CB 4.38Å; K458-C489 PolarHBondContact NZ-SG 2.93Å; K458-C489 VanDerWaalsContact NZ-SG 3.36Å; L485-C489 WeakPolarHBondContact O-CB 3.36Å; L485-C489 PolarHBondContact O-N 3.29Å; L485-C489 PolarHBondContact O-SG 3.32Å; F486-C489 PolarHBondContact O-N 2.69Å; Q487-C489 VanDerWaalsContact C-N 3.35Å; Q487-C489 PolarHBondContact O-N 3Å; C489-S491 VanDerWaalsContact C-N 3.3Å; C489-S491 PolarHBondContact O-N 3.12Å; C489-Q492 WeakPolarHBondContact O-CB 3.35Å; C489-Q492 PolarHBondContact O-N 3.24Å; C489-I493 WeakPolarHBondContact O-CG1 3.46Å; C489-I493 PolarHBondContact O-N 3.05Å |
| 490 | I | 71.3 | Confident | 69.5 | Low | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.015 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.6 | -36.4 | 176 | -72.1 | 179.7 | 0 | 0 | 0 | 111.9 | V451 F486 Q487 Q492 I493 K500 I503 L504 | V451-I490 HydrophobicContact CG2-CG1 4.14Å; F486-I490 HydrophobicContact CD1-CD1 3.82Å; F486-I490 HydrophobicContact CE1-CD1 3.13Å; F486-I490 HydrophobicContact CE1-CG1 4.22Å; F486-I490 HydrophobicContact CE2-CD1 4.13Å; F486-I490 HydrophobicContact CZ-CD1 3.27Å; F486-I490 HydrophobicContact CZ-CG1 4.22Å; F486-I490 PolarHBondContact O-N 2.71Å; Q487-I490 PolarHBondContact O-N 2.83Å; I490-Q492 PolarHBondContact O-N 3.29Å; I490-I493 PolarHBondContact O-N 3.49Å; I490-K500 PolarHBondContact O-NZ 2.92Å; I490-K500 WeakPolarHBondContact O-CE 3.36Å; I490-K500 HydrophobicContact CG2-CG 4.18Å; I490-K500 HydrophobicContact CG2-CD 4.36Å; I490-K500 HydrophobicContact CG2-CB 4.28Å; I490-I503 HydrophobicContact CD1-CG2 3.56Å; I490-L504 HydrophobicContact CD1-CD2 3.75Å; I490-L504 HydrophobicContact CD1-CG 4.12Å; I490-L504 HydrophobicContact CG2-CD2 4.49Å; I490-L504 HydrophobicContact CG2-CG 4.34Å |
| 491 | S | 70.1 | Confident | 70.5 | Confident | 71 Ų | 71 | 71 Ų | 71 | 50% | 0.497 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -61.8 | -35.5 | 177.5 | 71.7 | 0 | 0 | 0 | 0 | 111.5 | Q487 N488 C489 K500 | Q487-S491 WeakPolarHBondContact O-CB 3.17Å; Q487-S491 PolarHBondContact O-N 3.22Å; N488-S491 PolarHBondContact O-OG 3.06Å; C489-S491 VanDerWaalsContact C-N 3.3Å; C489-S491 PolarHBondContact O-N 3.12Å; S491-K500 PolarHBondContact O-NZ 2.92Å |
| 492 | Q | 70.5 | Confident | 71 | Confident | 118 Ų | 118 | 70.7 Ų | 70.7 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -71.4 | -23.7 | 176.7 | -69.9 | 174.7 | -21.6 | 0 | 0 | 114.3 | N488 C489 I490 | N488-Q492 VanDerWaalsContact O-CG 3.31Å; N488-Q492 WeakPolarHBondContact O-CG 3.49Å; N488-Q492 PolarHBondContact O-N 3.32Å; C489-Q492 WeakPolarHBondContact O-CB 3.35Å; C489-Q492 PolarHBondContact O-N 3.24Å; I490-Q492 PolarHBondContact O-N 3.29Å |
| 493 | I | 70.5 | Confident | 71.4 | Confident | 35 Ų | 35 | 68.4 Ų | 68.4 | 18% | 0.179 | 37% | 0.37 | C | S | . | . | S | Bend | trans | -76.1 | 129.1 | 178.4 | -54.8 | 171.2 | 0 | 0 | 0 | 109.3 | C450 V451 C489 I490 L495 K500 | C450-I493 HydrophobicContact CB-CD1 4.32Å; V451-I493 HydrophobicContact CG2-CD1 4.06Å; C489-I493 WeakPolarHBondContact O-CG1 3.46Å; C489-I493 PolarHBondContact O-N 3.05Å; I490-I493 PolarHBondContact O-N 3.49Å; I493-L495 PolarHBondContact O-N 3.49Å; I493-L495 HydrophobicContact CG2-CG 3.7Å; I493-L495 HydrophobicContact CG2-CD1 3.69Å; I493-L495 VanDerWaalsContact C-N 3.29Å; I493-L495 HydrophobicContact CB-CD1 4.27Å; I493-K500 WeakPolarHBondContact O-CE 3.08Å; I493-K500 PolarHBondContact O-NZ 2.98Å |
| 494 | H | 74.4 | Confident | 71.4 | Confident | 197 Ų | 197 | 68 Ų | 68 | 91% | 0.912 | 37% | 0.368 | S | S | * | . | trans | -73.4 | 78.1 | 173.9 | -71.8 | -65.5 | 0 | 0 | 0 | 111.5 | ||||
| 495 | L | 74.5 | Confident | 71.4 | Confident | 48 Ų | 48 | 74.3 Ų | 74.3 | 25% | 0.251 | 38% | 0.384 | S | S | . | . | trans | -116.1 | 149.4 | 174.1 | -74.2 | 164.9 | 0 | 0 | 0 | 111.6 | I447 I493 V499 K500 I503 | I447-L495 HydrophobicContact CD1-CD1 4.28Å; I447-L495 HydrophobicContact CG1-CD1 4.24Å; I493-L495 PolarHBondContact O-N 3.49Å; I493-L495 HydrophobicContact CG2-CG 3.7Å; I493-L495 HydrophobicContact CG2-CD1 3.69Å; I493-L495 VanDerWaalsContact C-N 3.29Å; I493-L495 HydrophobicContact CB-CD1 4.27Å; L495-V499 HydrophobicContact CD1-CG1 4.48Å; L495-V499 HydrophobicContact CD2-CG1 4.23Å; L495-K500 HydrophobicContact CB-CD 4.49Å; L495-K500 HydrophobicContact CB-CG 3.77Å; L495-K500 VanDerWaalsContact O-CE 3.24Å; L495-K500 WeakPolarHBondContact O-CE 3.11Å; L495-I503 HydrophobicContact CD1-CD1 3.7Å | ||
| 496 | P | 79.1 | Confident | 71.1 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 53% | 0.526 | 40% | 0.397 | S | S | . | . | trans | -54.2 | 141.1 | 169.6 | -24 | 33.6 | 0 | 0 | 0 | 111.7 | P498 V499 K500 | P496-P498 VanDerWaalsContact C-CD 3.43Å; P496-P498 HydrophobicContact CB-CG 4.31Å; P496-V499 HydrophobicContact CB-CG2 4.3Å; P496-V499 HydrophobicContact CG-CG2 4.46Å; P496-V499 WeakPolarHBondContact O-CB 3.37Å; P496-V499 PolarHBondContact O-N 2.92Å; P496-K500 PolarHBondContact O-N 2.8Å; P496-K500 VanDerWaalsContact O-N 3.08Å | ||
| 497 | S | 77.7 | Confident | 70.6 | Confident | 88 Ų | 88 | 78.5 Ų | 78.5 | 62% | 0.615 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -53.4 | -38.9 | -178.9 | 63.7 | 0 | 0 | 0 | 0 | 115.5 | V499 K500 K501 | S497-V499 PolarHBondContact O-N 3.11Å; S497-K500 PolarHBondContact O-N 3.14Å; S497-K501 PolarHBondContact O-N 3.27Å; S497-K501 VanDerWaalsContact O-N 3.12Å |
| 498 | P | 78.3 | Confident | 69.7 | Low | 81 Ų | 81 | 76.6 Ų | 76.6 | 53% | 0.526 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -65.8 | -38.1 | 176.5 | 24 | -33.8 | 0 | 0 | 0 | 112.2 | P496 K501 T502 | P496-P498 VanDerWaalsContact C-CD 3.43Å; P496-P498 HydrophobicContact CB-CG 4.31Å; P498-K501 PolarHBondContact O-N 2.77Å; P498-T502 PolarHBondContact O-N 3.22Å; P498-T502 PolarHBondContact O-OG1 2.76Å; P498-T502 VanDerWaalsContact O-OG1 3.1Å |
| 499 | V | 73.1 | Confident | 68.2 | Low | 59 Ų | 59 | 81.2 Ų | 81.2 | 36% | 0.358 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 178.2 | 176.6 | 0 | 0 | 0 | 0 | 110.2 | L495 P496 S497 K501 T502 I503 | L495-V499 HydrophobicContact CD1-CG1 4.48Å; L495-V499 HydrophobicContact CD2-CG1 4.23Å; P496-V499 HydrophobicContact CB-CG2 4.3Å; P496-V499 HydrophobicContact CG-CG2 4.46Å; P496-V499 WeakPolarHBondContact O-CB 3.37Å; P496-V499 PolarHBondContact O-N 2.92Å; S497-V499 PolarHBondContact O-N 3.11Å; V499-K501 VanDerWaalsContact C-N 3.32Å; V499-K501 PolarHBondContact O-N 2.93Å; V499-T502 PolarHBondContact O-N 3.42Å; V499-I503 WeakPolarHBondContact O-CD1 3.29Å; V499-I503 PolarHBondContact O-N 2.96Å; V499-I503 WeakPolarHBondContact O-CG1 3.48Å; V499-I503 HydrophobicContact CG1-CG1 4.35Å; V499-I503 HydrophobicContact CG1-CD1 3.63Å |
| 500 | K | 71.2 | Confident | 68.2 | Low | 46 Ų | 46 | 85.3 Ų | 85.3 | 20% | 0.2 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -56.2 | -44.6 | 174.2 | -69 | -169.7 | 176.4 | -171.2 | 0 | 112.3 | I490 S491 I493 L495 P496 S497 I503 L504 | I490-K500 PolarHBondContact O-NZ 2.92Å; I490-K500 WeakPolarHBondContact O-CE 3.36Å; I490-K500 HydrophobicContact CG2-CG 4.18Å; I490-K500 HydrophobicContact CG2-CD 4.36Å; I490-K500 HydrophobicContact CG2-CB 4.28Å; S491-K500 PolarHBondContact O-NZ 2.92Å; I493-K500 WeakPolarHBondContact O-CE 3.08Å; I493-K500 PolarHBondContact O-NZ 2.98Å; L495-K500 HydrophobicContact CB-CD 4.49Å; L495-K500 HydrophobicContact CB-CG 3.77Å; L495-K500 VanDerWaalsContact O-CE 3.24Å; L495-K500 WeakPolarHBondContact O-CE 3.11Å; P496-K500 PolarHBondContact O-N 2.8Å; P496-K500 VanDerWaalsContact O-N 3.08Å; S497-K500 PolarHBondContact O-N 3.14Å; K500-I503 PolarHBondContact O-N 3.13Å; K500-L504 WeakPolarHBondContact O-CB 3.31Å; K500-L504 VanDerWaalsContact O-CG 3.28Å; K500-L504 WeakPolarHBondContact O-CG 3.43Å; K500-L504 PolarHBondContact O-N 2.88Å |
| 501 | K | 73 | Confident | 68 | Low | 156 Ų | 156 | 89.6 Ų | 89.6 | 68% | 0.678 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 178.2 | -74.2 | -177.2 | 179.2 | -177.1 | 0 | 112.3 | S497 P498 V499 L504 R505 | S497-K501 PolarHBondContact O-N 3.27Å; S497-K501 VanDerWaalsContact O-N 3.12Å; P498-K501 PolarHBondContact O-N 2.77Å; V499-K501 VanDerWaalsContact C-N 3.32Å; V499-K501 PolarHBondContact O-N 2.93Å; K501-L504 PolarHBondContact O-N 3Å; K501-R505 WeakPolarHBondContact O-CB 3.25Å; K501-R505 PolarHBondContact O-N 2.85Å |
| 502 | T | 71.6 | Confident | 67.9 | Low | 81 Ų | 81 | 90.7 Ų | 90.7 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -64.9 | -41.6 | 178 | -53.7 | 0 | 0 | 0 | 0 | 112 | P498 V499 R505 N506 | P498-T502 PolarHBondContact O-N 3.22Å; P498-T502 PolarHBondContact O-OG1 2.76Å; P498-T502 VanDerWaalsContact O-OG1 3.1Å; V499-T502 PolarHBondContact O-N 3.42Å; T502-R505 PolarHBondContact O-N 3Å; T502-N506 PolarHBondContact O-N 2.83Å |
| 503 | I | 67.6 | Low | 67.7 | Low | 7 Ų | 7 | 89.1 Ų | 89.1 | 4% | 0.036 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -61.4 | -53.2 | 175 | -65.1 | 159.2 | 0 | 0 | 0 | 109.5 | I447 I490 L495 V499 K500 R505 N506 F507 | I447-I503 HydrophobicContact CD1-CD1 3.36Å; I447-I503 HydrophobicContact CD1-CG1 4Å; I447-I503 HydrophobicContact CG1-CD1 4.21Å; I447-I503 HydrophobicContact CG2-CD1 4.12Å; I447-I503 HydrophobicContact CG2-CG2 3.94Å; I490-I503 HydrophobicContact CD1-CG2 3.56Å; L495-I503 HydrophobicContact CD1-CD1 3.7Å; V499-I503 WeakPolarHBondContact O-CD1 3.29Å; V499-I503 PolarHBondContact O-N 2.96Å; V499-I503 WeakPolarHBondContact O-CG1 3.48Å; V499-I503 HydrophobicContact CG1-CG1 4.35Å; V499-I503 HydrophobicContact CG1-CD1 3.63Å; K500-I503 PolarHBondContact O-N 3.13Å; I503-R505 PolarHBondContact O-N 3.24Å; I503-N506 PolarHBondContact O-N 3.09Å; I503-F507 WeakPolarHBondContact O-CB 3.42Å; I503-F507 PolarHBondContact O-N 2.9Å; I503-F507 WeakPolarHBondContact O-CD2 3.36Å; I503-F507 VanDerWaalsContact O-CD2 3.26Å; I503-F507 HydrophobicContact CG2-CG 4.43Å; I503-F507 HydrophobicContact CG2-CE2 3.77Å; I503-F507 VanDerWaalsContact CG2-CD2 3.46Å; I503-F507 HydrophobicContact CG2-CD2 3.46Å; I503-F507 HydrophobicContact CB-CD2 4.39Å |
| 504 | L | 66.9 | Low | 67.5 | Low | 50 Ų | 50 | 92.4 Ų | 92.4 | 26% | 0.262 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -54.2 | -40.1 | 178.2 | -73.9 | 166 | 0 | 0 | 0 | 112 | F486 Q487 I490 K500 K501 V508 | F486-L504 HydrophobicContact CD1-CD2 4.29Å; F486-L504 HydrophobicContact CE1-CD2 4.1Å; Q487-L504 HydrophobicContact CG-CD2 3.83Å; I490-L504 HydrophobicContact CD1-CD2 3.75Å; I490-L504 HydrophobicContact CD1-CG 4.12Å; I490-L504 HydrophobicContact CG2-CD2 4.49Å; I490-L504 HydrophobicContact CG2-CG 4.34Å; K500-L504 WeakPolarHBondContact O-CB 3.31Å; K500-L504 VanDerWaalsContact O-CG 3.28Å; K500-L504 WeakPolarHBondContact O-CG 3.43Å; K500-L504 PolarHBondContact O-N 2.88Å; K501-L504 PolarHBondContact O-N 3Å; L504-V508 VanDerWaalsContact O-CB 3.3Å; L504-V508 WeakPolarHBondContact O-CB 3.47Å; L504-V508 WeakPolarHBondContact O-CG2 3.41Å; L504-V508 PolarHBondContact O-N 3.08Å; L504-V508 VanDerWaalsContact O-N 3.13Å |
| 505 | R | 66.5 | Low | 67.1 | Low | 197 Ų | 197 | 85.5 Ų | 85.5 | 74% | 0.743 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 176.4 | -171.3 | 178.5 | -176.7 | 172.4 | 1.5 | 113.5 | K501 T502 I503 | K501-R505 WeakPolarHBondContact O-CB 3.25Å; K501-R505 PolarHBondContact O-N 2.85Å; T502-R505 PolarHBondContact O-N 3Å; I503-R505 PolarHBondContact O-N 3.24Å |
| 506 | N | 61.6 | Low | 66.6 | Low | 94 Ų | 94 | 88.1 Ų | 88.1 | 50% | 0.503 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -84.4 | -14.8 | -176.8 | -73.2 | -12.3 | 0 | 0 | 0 | 114.2 | T502 I503 | T502-N506 PolarHBondContact O-N 2.83Å; I503-N506 PolarHBondContact O-N 3.09Å |
| 507 | F | 56.8 | Low | 65.6 | Low | 46 Ų | 46 | 88.7 Ų | 88.7 | 20% | 0.202 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -111 | -22.3 | -175.6 | -85.1 | -84.7 | 0 | 0 | 0 | 115.1 | L444 R448 F486 I503 N509 | L444-F507 HydrophobicContact CD1-CE2 3.97Å; L444-F507 HydrophobicContact CD1-CZ 4.5Å; L444-F507 HydrophobicContact CD2-CE2 4.39Å; L444-F507 HydrophobicContact CD2-CZ 4.13Å; L444-F507 HydrophobicContact CG-CE2 3.99Å; L444-F507 HydrophobicContact CG-CZ 4.04Å; R448-F507 HydrophobicContact CG-CE1 3.37Å; R448-F507 HydrophobicContact CG-CE2 4.48Å; R448-F507 HydrophobicContact CG-CZ 3.21Å; F486-F507 HydrophobicContact CE1-CB 3.52Å; F486-F507 HydrophobicContact CE1-CG 4.27Å; F486-F507 HydrophobicContact CE2-CB 4.01Å; F486-F507 AromaticContact CE2-CD1 3.95Å; F486-F507 HydrophobicContact CE2-CD1 3.95Å; F486-F507 HydrophobicContact CE2-CG 4.06Å; F486-F507 HydrophobicContact CZ-CB 3.13Å; F486-F507 AromaticContact CZ-CD1 3.79Å; F486-F507 HydrophobicContact CZ-CD1 3.79Å; F486-F507 HydrophobicContact CZ-CD2 4.07Å; F486-F507 AromaticContact CZ-CG 3.41Å; F486-F507 HydrophobicContact CZ-CG 3.41Å; F486-F507 VanDerWaalsContact CZ-CG 3.41Å; I503-F507 WeakPolarHBondContact O-CB 3.42Å; I503-F507 PolarHBondContact O-N 2.9Å; I503-F507 WeakPolarHBondContact O-CD2 3.36Å; I503-F507 VanDerWaalsContact O-CD2 3.26Å; I503-F507 HydrophobicContact CG2-CG 4.43Å; I503-F507 HydrophobicContact CG2-CE2 3.77Å; I503-F507 VanDerWaalsContact CG2-CD2 3.46Å; I503-F507 HydrophobicContact CG2-CD2 3.46Å; I503-F507 HydrophobicContact CB-CD2 4.39Å; F507-N509 VanDerWaalsContact C-N 3.26Å |
| 508 | V | 50.1 | Low | 64.6 | Low | 63 Ų | 63 | 88.8 Ų | 88.8 | 38% | 0.382 | 45% | 0.448 | S | S | . | . | trans | -75.3 | -22.1 | 175.4 | 172 | 0 | 0 | 0 | 0 | 111.2 | L504 | L504-V508 VanDerWaalsContact O-CB 3.3Å; L504-V508 WeakPolarHBondContact O-CB 3.47Å; L504-V508 WeakPolarHBondContact O-CG2 3.41Å; L504-V508 PolarHBondContact O-N 3.08Å; L504-V508 VanDerWaalsContact O-N 3.13Å | ||
| 509 | N | 38.4 | Very low | 63.3 | Low | 185 Ų | 185 | 89.5 Ų | 89.5 | 99% | 0.989 | 44% | 0.441 | S | S | * | . | trans | -93.3 | 0 | 169.4 | -63.8 | -10.3 | 0 | 0 | 0 | 109.8 | F507 | F507-N509 VanDerWaalsContact C-N 3.26Š|
Retrieved 509 of 509 residues in 155.8 ms
(Link to these results)