| 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 | 65.3 | Low | 88.9 | Confident | 234 Ų | 234 | 101 Ų | 101 | 100% | 1.153 | 52% | 0.519 | S | S | * | . | 0 | 111.9 | 0 | -163.1 | 148.4 | -167 | 0 | 0 | 106 | |||||
| 2 | A | 71.3 | Confident | 89.4 | Confident | 61 Ų | 61 | 98.4 Ų | 98.4 | 50% | 0.504 | 51% | 0.507 | S | S | . | . | trans | -68.5 | 129.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | F4 I54 | A2-F4 HydrophobicContact CB-CZ 4.33Å; A2-I54 HydrophobicContact CB-CD1 3.94Å | ||
| 3 | V | 83.9 | Confident | 90 | Very high | 127 Ų | 127 | 91.2 Ų | 91.2 | 77% | 0.77 | 47% | 0.469 | S | S | * | . | trans | -94.8 | 112.3 | 174.1 | 180 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 4 | F | 92 | Very high | 90.4 | Very high | 68 Ų | 68 | 89.2 Ų | 89.2 | 30% | 0.298 | 46% | 0.457 | S | S | . | . | trans | -77.9 | 141.4 | 174.6 | -61.4 | -75.8 | 0 | 0 | 0 | 109.5 | A2 V45 I54 K56 | A2-F4 HydrophobicContact CB-CZ 4.33Å; F4-V45 HydrophobicContact CE1-CG1 4.22Å; F4-V45 HydrophobicContact CE1-CG2 3.92Å; F4-V45 HydrophobicContact CZ-CG2 4.3Å; F4-I54 HydrophobicContact CD1-CD1 4.12Å; F4-I54 HydrophobicContact CD1-CG1 4.07Å; F4-I54 HydrophobicContact CE1-CD1 4.12Å; F4-I54 HydrophobicContact CE1-CG1 4.49Å; F4-K56 HydrophobicContact CB-CB 4.47Å; F4-K56 HydrophobicContact CD1-CB 3.85Å; F4-K56 HydrophobicContact CD2-CB 4.36Å; F4-K56 HydrophobicContact CE1-CB 4.12Å; F4-K56 HydrophobicContact CE2-CD 4.42Å; F4-K56 HydrophobicContact CG-CB 3.97Å; F4-K56 HydrophobicContact CZ-CB 4.5Å | ||
| 5 | H | 90.8 | Very high | 90.7 | Very high | 87 Ų | 87 | 88.5 Ų | 88.5 | 40% | 0.403 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -66.9 | -46.9 | 172.5 | -177.1 | 52.7 | 0 | 0 | 0 | 110 | I54 I55 | H5-I54 WeakPolarHBondContact CB-O 3.42Å; H5-I54 PolarHBondContact N-O 2.85Å; H5-I55 HydrophobicContact CB-CG2 3.95Å |
| 6 | D | 93.6 | Very high | 90.9 | Very high | 87 Ų | 87 | 86.5 Ų | 86.5 | 47% | 0.465 | 44% | 0.438 | S | S | . | . | trans | -153.7 | 168.9 | -179.7 | -73.5 | -76.1 | 0 | 0 | 0 | 110.9 | V8 I55 K56 | D6-V8 HydrophobicContact CB-CG2 4.17Å; D6-I55 HydrophobicContact CB-CG2 4.16Å; D6-I55 WeakPolarHBondContact O-CA 3.29Å; D6-I55 WeakPolarHBondContact O-CB 3.43Å; D6-K56 PolarHBondContact O-N 3.47Å | ||
| 7 | E | 95.9 | Very high | 91 | Very high | 137 Ų | 137 | 90.9 Ų | 90.9 | 64% | 0.64 | 46% | 0.457 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 120.9 | 169 | -55.1 | -175.4 | 84.9 | 0 | 0 | 107.9 | K56 I58 | E7-K56 CarbonylContact C-O 3.58Å; E7-K56 WeakPolarHBondContact CA-O 3.46Å; E7-K56 HydrophobicContact CB-CB 4.43Å; E7-K56 HydrophobicContact CG-CB 4.03Å; E7-K56 HydrophobicContact CG-CD 4.3Å; E7-K56 WeakPolarHBondContact OE1-CD 3.34Å; E7-I58 HydrophobicContact CB-CD1 4.25Å; E7-I58 HydrophobicContact CB-CG1 4.2Å |
| 8 | V | 96.8 | Very high | 91 | Very high | 14 Ų | 14 | 94.8 Ų | 94.8 | 9% | 0.085 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 132.6 | -170.2 | -177.3 | 0 | 0 | 0 | 0 | 109.8 | D6 D12 F13 Y24 I55 K56 V57 I58 | D6-V8 HydrophobicContact CB-CG2 4.17Å; V8-D12 HydrophobicContact CG1-CB 4.17Å; V8-F13 HydrophobicContact CB-CE2 3.82Å; V8-F13 HydrophobicContact CG1-CD2 4.06Å; V8-F13 HydrophobicContact CG1-CE2 3.59Å; V8-Y24 HydrophobicContact CG1-CD2 3.88Å; V8-Y24 HydrophobicContact CG1-CE1 4.27Å; V8-Y24 HydrophobicContact CG1-CE2 3.54Å; V8-Y24 HydrophobicContact CG1-CG 4.4Å; V8-Y24 HydrophobicContact CG2-CD1 4.49Å; V8-Y24 HydrophobicContact CG2-CE1 4.06Å; V8-I55 HydrophobicContact CB-CD1 4.37Å; V8-I55 HydrophobicContact CG2-CD1 4.09Å; V8-K56 PolarHBondContact N-O 3.34Å; V8-V57 CarbonylContact O-C 3.56Å; V8-V57 WeakPolarHBondContact O-CA 3.31Å; V8-I58 PolarHBondContact O-N 3.02Å |
| 9 | E | 97.2 | Very high | 91.1 | Very high | 127 Ų | 127 | 93.6 Ų | 93.6 | 59% | 0.593 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 138.4 | 176.8 | -63.4 | -177.2 | 117.5 | 0 | 0 | 111.2 | E11 D12 F13 I58 | E9-E11 PolarHBondContact O-N 3.01Å; E9-E11 VanDerWaalsContact O-N 3.09Å; E9-D12 PolarHBondContact O-N 2.88Å; E9-F13 WeakPolarHBondContact O-CD2 3.4Å; E9-I58 CarbonylContact C-O 3.42Å; E9-I58 WeakPolarHBondContact CA-O 3.46Å; E9-I58 HydrophobicContact CG-CB 4.29Å |
| 10 | I | 95.7 | Very high | 91.3 | Very high | 16 Ų | 16 | 93.9 Ų | 93.9 | 8% | 0.082 | 48% | 0.479 | C | S | . | . | G | 310 helix | trans | -57.6 | -26.9 | -179.2 | -170.7 | 60.8 | 0 | 0 | 0 | 112.9 | D12 F13 Y22 L39 V57 I58 F64 | I10-D12 PolarHBondContact O-N 3.01Å; I10-F13 HydrophobicContact CD1-CB 4.35Å; I10-F13 HydrophobicContact CD1-CD2 4.44Å; I10-F13 HydrophobicContact CD1-CG 4.31Å; I10-F13 WeakPolarHBondContact O-CB 3.44Å; I10-F13 PolarHBondContact O-N 3.06Å; I10-Y22 HydrophobicContact CD1-CD1 3.49Å; I10-Y22 VanDerWaalsContact CD1-CD1 3.49Å; I10-Y22 HydrophobicContact CD1-CD2 4.04Å; I10-Y22 HydrophobicContact CD1-CE1 3.87Å; I10-Y22 HydrophobicContact CD1-CE2 4.39Å; I10-Y22 HydrophobicContact CD1-CG 3.58Å; I10-Y22 HydrophobicContact CG1-CD1 4.11Å; I10-Y22 HydrophobicContact CG1-CE1 4.01Å; I10-L39 HydrophobicContact CD1-CD1 3.69Å; I10-L39 HydrophobicContact CG1-CD1 4.32Å; I10-V57 HydrophobicContact CB-CG1 4.09Å; I10-V57 HydrophobicContact CD1-CG1 3.8Å; I10-V57 HydrophobicContact CG1-CG1 4.48Å; I10-I58 PolarHBondContact N-O 3.43Å; I10-F64 HydrophobicContact CG1-CE2 4.48Å; I10-F64 HydrophobicContact CG1-CZ 4.07Å |
| 11 | E | 94.7 | Very high | 91.5 | Very high | 153 Ų | 153 | 89.8 Ų | 89.8 | 72% | 0.715 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -67.6 | -20.6 | 176.9 | -61.5 | -173 | 91.1 | 0 | 0 | 113.4 | E9 | E9-E11 PolarHBondContact O-N 3.01Å; E9-E11 VanDerWaalsContact O-N 3.09Å |
| 12 | D | 96 | Very high | 93 | Very high | 70 Ų | 70 | 80.2 Ų | 80.2 | 37% | 0.374 | 41% | 0.411 | S | S | . | . | G | 310 helix | trans | -86.8 | -11.8 | 175.3 | -156.5 | -140.7 | 0 | 0 | 0 | 112.6 | V8 E9 I10 Y24 K77 | V8-D12 HydrophobicContact CG1-CB 4.17Å; E9-D12 PolarHBondContact O-N 2.88Å; I10-D12 PolarHBondContact O-N 3.01Å; D12-Y24 HydrophobicContact CB-CE2 4.13Å; D12-Y24 WeakPolarHBondContact OD1-CE2 3.43Å; D12-Y24 PolarHBondContact OD1-OH 2.94Å; D12-Y24 VanDerWaalsContact OD1-OH 3.09Å; D12-K77 IonicContact OD2-NZ 3.6Å |
| 13 | F | 96 | Very high | 94.2 | Very high | 4 Ų | 4 | 79.9 Ų | 79.9 | 2% | 0.018 | 40% | 0.398 | C | S | . | . | S | Bend | trans | -74.5 | 149.7 | 173 | -74.2 | -118.5 | 0 | 0 | 0 | 110.9 | V8 E9 I10 Y22 F23 Y24 I34 A46 I55 V57 | V8-F13 HydrophobicContact CB-CE2 3.82Å; V8-F13 HydrophobicContact CG1-CD2 4.06Å; V8-F13 HydrophobicContact CG1-CE2 3.59Å; E9-F13 WeakPolarHBondContact O-CD2 3.4Å; I10-F13 HydrophobicContact CD1-CB 4.35Å; I10-F13 HydrophobicContact CD1-CD2 4.44Å; I10-F13 HydrophobicContact CD1-CG 4.31Å; I10-F13 WeakPolarHBondContact O-CB 3.44Å; I10-F13 PolarHBondContact O-N 3.06Å; F13-Y22 HydrophobicContact CB-CD1 4.01Å; F13-Y22 HydrophobicContact CB-CG 4.46Å; F13-F23 WeakPolarHBondContact CA-O 3.44Å; F13-Y24 HydrophobicContact CD2-CD2 4.08Å; F13-Y24 HydrophobicContact CE1-CG 4.42Å; F13-Y24 HydrophobicContact CE2-CD2 4.24Å; F13-Y24 HydrophobicContact CE2-CG 4.37Å; F13-Y24 HydrophobicContact CG-CD2 4.3Å; F13-Y24 HydrophobicContact CZ-CG 4.29Å; F13-I34 HydrophobicContact CE1-CG2 4.29Å; F13-A46 HydrophobicContact CE1-CB 3.84Å; F13-A46 HydrophobicContact CZ-CB 4.1Å; F13-I55 HydrophobicContact CE1-CD1 4.19Å; F13-I55 HydrophobicContact CE2-CD1 4.31Å; F13-I55 HydrophobicContact CZ-CD1 3.5Å; F13-I55 VanDerWaalsContact CZ-CD1 3.5Å; F13-I55 HydrophobicContact CZ-CG1 4.29Å; F13-V57 HydrophobicContact CE1-CG2 4.33Å; F13-V57 HydrophobicContact CE2-CG1 4.13Å; F13-V57 HydrophobicContact CE2-CG2 4.36Å; F13-V57 HydrophobicContact CZ-CG1 4.28Å; F13-V57 HydrophobicContact CZ-CG2 3.75Å |
| 14 | Q | 96 | Very high | 94.8 | Very high | 64 Ų | 64 | 76.4 Ų | 76.4 | 30% | 0.299 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 120.1 | 169.2 | -178.5 | 169.5 | 86.8 | 0 | 0 | 109.3 | Y22 F23 K77 | Q14-Y22 CarbonylContact O-C 3.6Å; Q14-Y22 WeakPolarHBondContact O-CA 3.35Å; Q14-F23 PolarHBondContact N-O 2.76Å; Q14-F23 PolarHBondContact O-N 3.5Å; Q14-K77 PolarHBondContact NE2-O 2.95Å |
| 15 | Y | 94.9 | Very high | 95 | Very high | 78 Ų | 78 | 77.2 Ų | 77.2 | 31% | 0.306 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 129.3 | 175.7 | -175.5 | -119 | 0 | 0 | 0 | 111.3 | E17 Y22 K36 | Y15-E17 HydrophobicContact CD1-CG 3.92Å; Y15-E17 HydrophobicContact CE1-CB 4.38Å; Y15-E17 HydrophobicContact CE1-CG 3.75Å; Y15-Y22 AromaticContact CD2-CD1 3.79Å; Y15-Y22 HydrophobicContact CD2-CD1 3.79Å; Y15-Y22 AromaticContact CD2-CD2 3.77Å; Y15-Y22 HydrophobicContact CD2-CD2 3.77Å; Y15-Y22 AromaticContact CD2-CE1 3.5Å; Y15-Y22 HydrophobicContact CD2-CE1 3.5Å; Y15-Y22 VanDerWaalsContact CD2-CE1 3.5Å; Y15-Y22 AromaticContact CD2-CE2 3.45Å; Y15-Y22 HydrophobicContact CD2-CE2 3.45Å; Y15-Y22 VanDerWaalsContact CD2-CE2 3.45Å; Y15-Y22 AromaticContact CD2-CG 3.93Å; Y15-Y22 HydrophobicContact CD2-CG 3.93Å; Y15-Y22 AromaticContact CD2-CZ 3.31Å; Y15-Y22 HydrophobicContact CE2-CD2 4.14Å; Y15-Y22 HydrophobicContact CE2-CE1 4.4Å; Y15-Y22 AromaticContact CE2-CE2 3.62Å; Y15-Y22 HydrophobicContact CE2-CE2 3.62Å; Y15-Y22 AromaticContact CE2-CZ 3.77Å; Y15-Y22 HydrophobicContact CG-CD1 4.28Å; Y15-Y22 AromaticContact CG-CE1 3.85Å; Y15-Y22 HydrophobicContact CG-CE1 3.85Å; Y15-Y22 AromaticContact CG-CZ 3.97Å; Y15-K36 HydrophobicContact CE2-CB 4.35Å; Y15-K36 HydrophobicContact CE2-CD 4.45Å |
| 16 | D | 94.3 | Very high | 95.2 | Very high | 57 Ų | 57 | 73.4 Ų | 73.4 | 31% | 0.305 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 115 | 171.3 | -173.5 | -103.4 | 0 | 0 | 0 | 109.5 | S19 E20 T21 F23 | D16-S19 VanDerWaalsContact OD1-CB 3.23Å; D16-S19 WeakPolarHBondContact OD1-CB 3.29Å; D16-S19 PolarHBondContact OD1-N 2.97Å; D16-E20 WeakPolarHBondContact O-CA 3.26Å; D16-E20 PolarHBondContact O-N 2.97Å; D16-T21 PolarHBondContact N-O 2.68Å; D16-T21 PolarHBondContact O-N 2.83Å; D16-T21 VanDerWaalsContact O-N 3.14Å; D16-F23 HydrophobicContact CB-CD2 3.95Å; D16-F23 HydrophobicContact CB-CE2 3.55Å |
| 17 | E | 91.9 | Very high | 95.2 | Very high | 162 Ų | 162 | 73.9 Ų | 73.9 | 76% | 0.757 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -30.1 | -176.9 | -63.7 | -179.7 | 94.2 | 0 | 0 | 112.4 | Y15 | Y15-E17 HydrophobicContact CD1-CG 3.92Å; Y15-E17 HydrophobicContact CE1-CB 4.38Å; Y15-E17 HydrophobicContact CE1-CG 3.75Å |
| 18 | D | 92.3 | Very high | 95.1 | Very high | 160 Ų | 160 | 70.1 Ų | 70.1 | 86% | 0.856 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -39.7 | -178.8 | -72.3 | -84.5 | 0 | 0 | 0 | 112.1 | ||
| 19 | S | 92.7 | Very high | 95 | Very high | 72 Ų | 72 | 72.8 Ų | 72.8 | 50% | 0.503 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 1.4 | 178.9 | -165.2 | 0 | 0 | 0 | 0 | 113.7 | D16 T21 | D16-S19 VanDerWaalsContact OD1-CB 3.23Å; D16-S19 WeakPolarHBondContact OD1-CB 3.29Å; D16-S19 PolarHBondContact OD1-N 2.97Å; S19-T21 PolarHBondContact O-N 3.28Å; S19-T21 VanDerWaalsContact O-N 3.15Å; S19-T21 PolarHBondContact O-OG1 2.86Å; S19-T21 PolarHBondContact OG-OG1 2.72Å |
| 20 | E | 94 | Very high | 94.9 | Very high | 99 Ų | 99 | 70 Ų | 70 | 46% | 0.463 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 44 | 45.6 | -171.7 | -62.1 | -171.5 | 90.9 | 0 | 0 | 112.1 | D16 K36 | D16-E20 WeakPolarHBondContact O-CA 3.26Å; D16-E20 PolarHBondContact O-N 2.97Å; E20-K36 HydrophobicContact CB-CB 4.21Å; E20-K36 WeakPolarHBondContact O-CB 3.12Å; E20-K36 PolarHBondContact O-N 3.17Å; E20-K36 IonicContact OE1-NZ 3.3Å; E20-K36 PolarHBondContact OE1-NZ 2.97Å |
| 21 | T | 95.7 | Very high | 94.9 | Very high | 9 Ų | 9 | 72.9 Ų | 72.9 | 6% | 0.055 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 136.3 | -170.7 | -61.8 | 0 | 0 | 0 | 0 | 110.7 | D16 S19 F23 I34 | D16-T21 PolarHBondContact N-O 2.68Å; D16-T21 PolarHBondContact O-N 2.83Å; D16-T21 VanDerWaalsContact O-N 3.14Å; S19-T21 PolarHBondContact O-N 3.28Å; S19-T21 VanDerWaalsContact O-N 3.15Å; S19-T21 PolarHBondContact O-OG1 2.86Å; S19-T21 PolarHBondContact OG-OG1 2.72Å; T21-F23 HydrophobicContact CG2-CD1 4.33Å; T21-F23 HydrophobicContact CG2-CD2 4.32Å; T21-F23 HydrophobicContact CG2-CE1 3.78Å; T21-F23 HydrophobicContact CG2-CE2 3.77Å; T21-F23 HydrophobicContact CG2-CZ 3.47Å; T21-F23 VanDerWaalsContact CG2-CZ 3.47Å; T21-I34 WeakPolarHBondContact CG2-O 3.3Å |
| 22 | Y | 96.5 | Very high | 95 | Very high | 33 Ų | 33 | 65.7 Ų | 65.7 | 13% | 0.129 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.1 | 173.8 | -68.4 | -91.8 | 0 | 0 | 0 | 110 | I10 F13 Q14 Y15 S33 I34 K36 L39 F64 | I10-Y22 HydrophobicContact CD1-CD1 3.49Å; I10-Y22 VanDerWaalsContact CD1-CD1 3.49Å; I10-Y22 HydrophobicContact CD1-CD2 4.04Å; I10-Y22 HydrophobicContact CD1-CE1 3.87Å; I10-Y22 HydrophobicContact CD1-CE2 4.39Å; I10-Y22 HydrophobicContact CD1-CG 3.58Å; I10-Y22 HydrophobicContact CG1-CD1 4.11Å; I10-Y22 HydrophobicContact CG1-CE1 4.01Å; F13-Y22 HydrophobicContact CB-CD1 4.01Å; F13-Y22 HydrophobicContact CB-CG 4.46Å; Q14-Y22 CarbonylContact O-C 3.6Å; Q14-Y22 WeakPolarHBondContact O-CA 3.35Å; Y15-Y22 AromaticContact CD2-CD1 3.79Å; Y15-Y22 HydrophobicContact CD2-CD1 3.79Å; Y15-Y22 AromaticContact CD2-CD2 3.77Å; Y15-Y22 HydrophobicContact CD2-CD2 3.77Å; Y15-Y22 AromaticContact CD2-CE1 3.5Å; Y15-Y22 HydrophobicContact CD2-CE1 3.5Å; Y15-Y22 VanDerWaalsContact CD2-CE1 3.5Å; Y15-Y22 AromaticContact CD2-CE2 3.45Å; Y15-Y22 HydrophobicContact CD2-CE2 3.45Å; Y15-Y22 VanDerWaalsContact CD2-CE2 3.45Å; Y15-Y22 AromaticContact CD2-CG 3.93Å; Y15-Y22 HydrophobicContact CD2-CG 3.93Å; Y15-Y22 AromaticContact CD2-CZ 3.31Å; Y15-Y22 HydrophobicContact CE2-CD2 4.14Å; Y15-Y22 HydrophobicContact CE2-CE1 4.4Å; Y15-Y22 AromaticContact CE2-CE2 3.62Å; Y15-Y22 HydrophobicContact CE2-CE2 3.62Å; Y15-Y22 AromaticContact CE2-CZ 3.77Å; Y15-Y22 HydrophobicContact CG-CD1 4.28Å; Y15-Y22 AromaticContact CG-CE1 3.85Å; Y15-Y22 HydrophobicContact CG-CE1 3.85Å; Y15-Y22 AromaticContact CG-CZ 3.97Å; Y22-S33 WeakPolarHBondContact O-CA 3.26Å; Y22-I34 PolarHBondContact N-O 2.74Å; Y22-I34 PolarHBondContact O-N 3.46Å; Y22-K36 HydrophobicContact CE2-CB 4.12Å; Y22-K36 HydrophobicContact CE2-CG 4.44Å; Y22-L39 HydrophobicContact CD2-CD1 3.49Å; Y22-L39 VanDerWaalsContact CD2-CD1 3.49Å; Y22-L39 HydrophobicContact CE2-CD1 3.52Å; Y22-L39 HydrophobicContact CG-CD1 4.32Å; Y22-F64 AromaticContact CE2-CE1 3.84Å; Y22-F64 HydrophobicContact CE2-CE1 3.84Å; Y22-F64 HydrophobicContact CE2-CZ 4.26Å; Y22-F64 AromaticContact CZ-CE1 3.88Å; Y22-F64 AromaticContact CZ-CZ 3.98Å; Y22-F64 WeakPolarHBondContact OH-CE1 3.23Å |
| 23 | F | 96.8 | Very high | 95.1 | Very high | 54 Ų | 54 | 64 Ų | 64 | 24% | 0.237 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 138.7 | -178.8 | -64.9 | -76.9 | 0 | 0 | 0 | 112.2 | F13 Q14 D16 T21 N31 F32 | F13-F23 WeakPolarHBondContact CA-O 3.44Å; Q14-F23 PolarHBondContact N-O 2.76Å; Q14-F23 PolarHBondContact O-N 3.5Å; D16-F23 HydrophobicContact CB-CD2 3.95Å; D16-F23 HydrophobicContact CB-CE2 3.55Å; T21-F23 HydrophobicContact CG2-CD1 4.33Å; T21-F23 HydrophobicContact CG2-CD2 4.32Å; T21-F23 HydrophobicContact CG2-CE1 3.78Å; T21-F23 HydrophobicContact CG2-CE2 3.77Å; T21-F23 HydrophobicContact CG2-CZ 3.47Å; T21-F23 VanDerWaalsContact CG2-CZ 3.47Å; F23-N31 HydrophobicContact CB-CB 4.18Å; F23-N31 HydrophobicContact CD1-CB 3.97Å; F23-F32 CarbonylContact C-O 3.58Å; F23-F32 VanDerWaalsContact CA-O 3.25Å; F23-F32 WeakPolarHBondContact CA-O 3.42Å |
| 24 | Y | 96.6 | Very high | 95.1 | Very high | 54 Ų | 54 | 64 Ų | 64 | 21% | 0.212 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 135.6 | 173.1 | -165.1 | -102.7 | 0 | 0 | 0 | 110.8 | V8 D12 F13 C26 N31 F32 I55 | V8-Y24 HydrophobicContact CG1-CD2 3.88Å; V8-Y24 HydrophobicContact CG1-CE1 4.27Å; V8-Y24 HydrophobicContact CG1-CE2 3.54Å; V8-Y24 HydrophobicContact CG1-CG 4.4Å; V8-Y24 HydrophobicContact CG2-CD1 4.49Å; V8-Y24 HydrophobicContact CG2-CE1 4.06Å; D12-Y24 HydrophobicContact CB-CE2 4.13Å; D12-Y24 WeakPolarHBondContact OD1-CE2 3.43Å; D12-Y24 PolarHBondContact OD1-OH 2.94Å; D12-Y24 VanDerWaalsContact OD1-OH 3.09Å; F13-Y24 HydrophobicContact CD2-CD2 4.08Å; F13-Y24 HydrophobicContact CE1-CG 4.42Å; F13-Y24 HydrophobicContact CE2-CD2 4.24Å; F13-Y24 HydrophobicContact CE2-CG 4.37Å; F13-Y24 HydrophobicContact CG-CD2 4.3Å; F13-Y24 HydrophobicContact CZ-CG 4.29Å; Y24-C26 PolarHBondContact O-N 2.8Å; Y24-N31 CarbonylContact O-C 3.58Å; Y24-N31 WeakPolarHBondContact O-CA 3.47Å; Y24-N31 WeakPolarHBondContact O-CB 3.4Å; Y24-F32 HydrophobicContact CD1-CD2 4.1Å; Y24-F32 PolarHBondContact N-O 3.12Å; Y24-F32 PolarHBondContact O-N 3.08Å; Y24-I55 HydrophobicContact CD1-CD1 3.82Å; Y24-I55 HydrophobicContact CG-CD1 4.09Å |
| 25 | P | 96.1 | Very high | 95.1 | Very high | 84 Ų | 84 | 63.2 Ų | 63.2 | 55% | 0.545 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 128.3 | -178.8 | 24.7 | -34.7 | 0 | 0 | 0 | 111.5 | ||
| 26 | C | 95.7 | Very high | 95 | Very high | 8 Ų | 8 | 62.2 Ų | 62.2 | 5% | 0.054 | 35% | 0.354 | C | S | . | . | trans | -96.6 | 139.7 | 173.7 | -175.4 | 0 | 0 | 0 | 0 | 110.1 | Y24 C28 G29 D30 F32 C48 C51 | Y24-C26 PolarHBondContact O-N 2.8Å; C26-C28 PolarHBondContact O-N 3.19Å; C26-C28 PolarHBondContact SG-SG 3.46Å; C26-G29 PolarHBondContact O-N 2.89Å; C26-D30 WeakPolarHBondContact CA-O 3.38Å; C26-D30 WeakPolarHBondContact CB-O 2.86Å; C26-D30 PolarHBondContact N-O 2.87Å; C26-F32 HydrophobicContact CB-CD2 3.75Å; C26-F32 HydrophobicContact CB-CE2 3.55Å; C26-F32 HydrophobicContact CB-CG 4.39Å; C26-F32 HydrophobicContact CB-CZ 3.99Å; C26-F32 WeakPolarHBondContact SG-CZ 3.35Å; C26-C48 HydrophobicContact CB-CB 4.26Å; C26-C51 PolarHBondContact SG-SG 3.46Å | ||
| 27 | P | 93.4 | Very high | 95 | Very high | 97 Ų | 97 | 65.9 Ų | 65.9 | 63% | 0.63 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -13.7 | 178.1 | 23.6 | -36.2 | 0 | 0 | 0 | 114.6 | G29 L53 | P27-G29 VanDerWaalsContact C-N 3.3Å; P27-L53 HydrophobicContact CG-CD1 4.4Å |
| 28 | C | 94.4 | Very high | 95.2 | Very high | 58 Ų | 58 | 61 Ų | 61 | 39% | 0.392 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -12.8 | 174.3 | 75.7 | 0 | 0 | 0 | 0 | 114.1 | C26 C51 | C26-C28 PolarHBondContact O-N 3.19Å; C26-C28 PolarHBondContact SG-SG 3.46Å; C28-C51 HydrophobicContact CB-CB 3.87Å; C28-C51 VanDerWaalsContact SG-SG 3.64Å |
| 29 | G | 93.7 | Very high | 95.3 | Very high | 69 Ų | 69 | 53.4 Ų | 53.4 | 71% | 0.711 | 31% | 0.308 | S | S | * | . | S | Bend | trans | 103.6 | -5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | C26 P27 | C26-G29 PolarHBondContact O-N 2.89Å; P27-G29 VanDerWaalsContact C-N 3.3Å |
| 30 | D | 95.8 | Very high | 95.3 | Very high | 70 Ų | 70 | 53.4 Ų | 53.4 | 37% | 0.374 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -97.4 | -169.5 | 168.5 | -72.6 | -89.1 | 0 | 0 | 0 | 110.3 | C26 S50 | C26-D30 WeakPolarHBondContact CA-O 3.38Å; C26-D30 WeakPolarHBondContact CB-O 2.86Å; C26-D30 PolarHBondContact N-O 2.87Å; D30-S50 WeakPolarHBondContact OD2-CB 3.49Å; D30-S50 PolarHBondContact OD2-OG 2.62Å |
| 31 | N | 95.7 | Very high | 95.3 | Very high | 75 Ų | 75 | 54.4 Ų | 54.4 | 40% | 0.401 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 144.1 | 172.7 | -62.6 | -30.7 | 0 | 0 | 0 | 110.5 | F23 Y24 P49 | F23-N31 HydrophobicContact CB-CB 4.18Å; F23-N31 HydrophobicContact CD1-CB 3.97Å; Y24-N31 CarbonylContact O-C 3.58Å; Y24-N31 WeakPolarHBondContact O-CA 3.47Å; Y24-N31 WeakPolarHBondContact O-CB 3.4Å; N31-P49 WeakPolarHBondContact O-CD 3.32Å |
| 32 | F | 97.2 | Very high | 95.2 | Very high | 2 Ų | 2 | 54.9 Ų | 54.9 | 1% | 0.009 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 144.3 | 154.8 | -59.6 | -82.8 | 0 | 0 | 0 | 108.8 | F23 Y24 C26 A46 T47 C48 L53 I55 | F23-F32 CarbonylContact C-O 3.58Å; F23-F32 VanDerWaalsContact CA-O 3.25Å; F23-F32 WeakPolarHBondContact CA-O 3.42Å; Y24-F32 HydrophobicContact CD1-CD2 4.1Å; Y24-F32 PolarHBondContact N-O 3.12Å; Y24-F32 PolarHBondContact O-N 3.08Å; C26-F32 HydrophobicContact CB-CD2 3.75Å; C26-F32 HydrophobicContact CB-CE2 3.55Å; C26-F32 HydrophobicContact CB-CG 4.39Å; C26-F32 HydrophobicContact CB-CZ 3.99Å; C26-F32 WeakPolarHBondContact SG-CZ 3.35Å; F32-A46 HydrophobicContact CB-CB 4.03Å; F32-T47 CarbonylContact C-O 3.56Å; F32-T47 WeakPolarHBondContact CA-O 3.21Å; F32-C48 HydrophobicContact CD1-CB 3.6Å; F32-C48 HydrophobicContact CE1-CB 3.69Å; F32-C48 HydrophobicContact CG-CB 4.27Å; F32-C48 HydrophobicContact CZ-CB 4.45Å; F32-L53 HydrophobicContact CE1-CB 3.63Å; F32-L53 WeakPolarHBondContact CE1-O 3.48Å; F32-L53 HydrophobicContact CZ-CB 3.91Å; F32-I55 HydrophobicContact CB-CD1 4.02Å; F32-I55 HydrophobicContact CB-CG1 4.3Å; F32-I55 HydrophobicContact CD1-CD1 4.42Å; F32-I55 HydrophobicContact CD1-CG1 4.1Å; F32-I55 HydrophobicContact CD1-CG2 4.38Å; F32-I55 HydrophobicContact CD2-CD1 3.78Å; F32-I55 HydrophobicContact CD2-CG1 4.32Å; F32-I55 HydrophobicContact CD2-CG2 4.41Å; F32-I55 HydrophobicContact CE1-CG2 3.98Å; F32-I55 HydrophobicContact CE2-CD1 4.33Å; F32-I55 HydrophobicContact CE2-CG2 3.97Å; F32-I55 HydrophobicContact CG-CD1 3.83Å; F32-I55 HydrophobicContact CG-CG1 4Å; F32-I55 HydrophobicContact CZ-CG2 3.77Å |
| 33 | S | 96.5 | Very high | 95.1 | Very high | 36 Ų | 36 | 58.3 Ų | 58.3 | 25% | 0.252 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.9 | 177.2 | 56 | 0 | 0 | 0 | 0 | 110.9 | Y22 A46 T47 | Y22-S33 WeakPolarHBondContact O-CA 3.26Å; S33-A46 WeakPolarHBondContact O-CA 3.32Å; S33-T47 PolarHBondContact N-O 3.36Å; S33-T47 PolarHBondContact O-N 3.24Å; S33-T47 VanDerWaalsContact O-N 3.08Å; S33-T47 PolarHBondContact OG-O 2.98Å |
| 34 | I | 96.6 | Very high | 95 | Very high | 4 Ų | 4 | 57.5 Ų | 57.5 | 2% | 0.021 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.3 | 133.3 | 166.8 | -173.4 | 164.8 | 0 | 0 | 0 | 108.3 | F13 T21 Y22 D38 L39 A46 V57 | F13-I34 HydrophobicContact CE1-CG2 4.29Å; T21-I34 WeakPolarHBondContact CG2-O 3.3Å; Y22-I34 PolarHBondContact N-O 2.74Å; Y22-I34 PolarHBondContact O-N 3.46Å; I34-D38 HydrophobicContact CD1-CB 4.35Å; I34-D38 HydrophobicContact CG1-CB 3.8Å; I34-L39 HydrophobicContact CD1-CD2 3.64Å; I34-L39 HydrophobicContact CD1-CG 4.09Å; I34-L39 HydrophobicContact CG1-CD2 4.29Å; I34-L39 HydrophobicContact CG1-CG 4.23Å; I34-A46 HydrophobicContact CB-CB 3.9Å; I34-A46 HydrophobicContact CG2-CB 4.08Å; I34-V57 HydrophobicContact CD1-CG2 4.1Å; I34-V57 HydrophobicContact CG2-CG2 4.23Å |
| 35 | T | 95.7 | Very high | 95 | Very high | 46 Ų | 46 | 57.1 Ų | 57.1 | 28% | 0.282 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 155.1 | 179.1 | 69.8 | 0 | 0 | 0 | 0 | 110.2 | E37 D38 L39 | T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 2.94Å; T35-D38 WeakPolarHBondContact CB-OD2 3.35Å; T35-D38 PolarHBondContact N-OD2 3.17Å; T35-D38 WeakPolarHBondContact O-CB 3.46Å; T35-D38 PolarHBondContact O-N 3.02Å; T35-D38 PolarHBondContact OG1-N 3.37Å; T35-D38 PolarHBondContact OG1-OD2 2.95Å; T35-L39 PolarHBondContact O-N 3.34Å |
| 36 | K | 94.2 | Very high | 95 | Very high | 58 Ų | 58 | 53.1 Ų | 53.1 | 25% | 0.252 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.5 | -43.8 | 170.5 | -177.6 | -178.2 | 153.9 | -154 | 0 | 110.2 | Y15 E20 Y22 D38 L39 E40 F64 | Y15-K36 HydrophobicContact CE2-CB 4.35Å; Y15-K36 HydrophobicContact CE2-CD 4.45Å; E20-K36 HydrophobicContact CB-CB 4.21Å; E20-K36 WeakPolarHBondContact O-CB 3.12Å; E20-K36 PolarHBondContact O-N 3.17Å; E20-K36 IonicContact OE1-NZ 3.3Å; E20-K36 PolarHBondContact OE1-NZ 2.97Å; Y22-K36 HydrophobicContact CE2-CB 4.12Å; Y22-K36 HydrophobicContact CE2-CG 4.44Å; K36-D38 VanDerWaalsContact C-N 3.26Å; K36-D38 PolarHBondContact O-N 3.44Å; K36-L39 WeakPolarHBondContact O-CA 3.5Å; K36-L39 WeakPolarHBondContact O-CB 3.19Å; K36-L39 PolarHBondContact O-N 3.09Å; K36-E40 HydrophobicContact CG-CG 4.31Å; K36-E40 VanDerWaalsContact O-CG 3.31Å; K36-E40 WeakPolarHBondContact O-CG 3.25Å; K36-E40 PolarHBondContact O-N 2.82Å; K36-F64 HydrophobicContact CG-CD1 4.13Å; K36-F64 HydrophobicContact CG-CE1 4.23Å |
| 37 | E | 93.9 | Very high | 95 | Very high | 133 Ų | 133 | 55.9 Ų | 55.9 | 62% | 0.621 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -53.9 | -42.9 | 175.9 | -177.6 | 177.6 | 93.2 | 0 | 0 | 111.7 | T35 L39 E40 N41 | T35-E37 VanDerWaalsContact C-N 3.26Å; T35-E37 PolarHBondContact O-N 2.94Å; E37-L39 PolarHBondContact O-N 2.73Å; E37-E40 PolarHBondContact O-N 2.79Å; E37-N41 WeakPolarHBondContact CG-ND2 3.15Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 2.82Å |
| 38 | D | 95.2 | Very high | 95.2 | Very high | 60 Ų | 60 | 51.4 Ų | 51.4 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59 | -46.7 | 175.5 | -68.2 | -48.3 | 0 | 0 | 0 | 111.4 | I34 T35 K36 E40 N41 G42 E43 | I34-D38 HydrophobicContact CD1-CB 4.35Å; I34-D38 HydrophobicContact CG1-CB 3.8Å; T35-D38 WeakPolarHBondContact CB-OD2 3.35Å; T35-D38 PolarHBondContact N-OD2 3.17Å; T35-D38 WeakPolarHBondContact O-CB 3.46Å; T35-D38 PolarHBondContact O-N 3.02Å; T35-D38 PolarHBondContact OG1-N 3.37Å; T35-D38 PolarHBondContact OG1-OD2 2.95Å; K36-D38 VanDerWaalsContact C-N 3.26Å; K36-D38 PolarHBondContact O-N 3.44Å; D38-E40 VanDerWaalsContact C-N 3.34Å; D38-E40 PolarHBondContact O-N 3.13Å; D38-N41 CarbonylContact O-C 3.52Å; D38-N41 PolarHBondContact O-N 3.09Å; D38-N41 VanDerWaalsContact O-N 3.13Å; D38-G42 PolarHBondContact O-N 3Å; D38-E43 HydrophobicContact CB-CB 3.95Å; D38-E43 HydrophobicContact CB-CG 4.3Å; D38-E43 VanDerWaalsContact O-CB 3.3Å; D38-E43 WeakPolarHBondContact O-CB 3.42Å; D38-E43 PolarHBondContact O-N 3.29Å |
| 39 | L | 94.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.005 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 177.2 | -64.2 | 169.3 | 0 | 0 | 0 | 111.8 | I10 Y22 I34 T35 K36 E37 N41 G42 V57 Y59 F64 | I10-L39 HydrophobicContact CD1-CD1 3.69Å; I10-L39 HydrophobicContact CG1-CD1 4.32Å; Y22-L39 HydrophobicContact CD2-CD1 3.49Å; Y22-L39 VanDerWaalsContact CD2-CD1 3.49Å; Y22-L39 HydrophobicContact CE2-CD1 3.52Å; Y22-L39 HydrophobicContact CG-CD1 4.32Å; I34-L39 HydrophobicContact CD1-CD2 3.64Å; I34-L39 HydrophobicContact CD1-CG 4.09Å; I34-L39 HydrophobicContact CG1-CD2 4.29Å; I34-L39 HydrophobicContact CG1-CG 4.23Å; T35-L39 PolarHBondContact O-N 3.34Å; K36-L39 WeakPolarHBondContact O-CA 3.5Å; K36-L39 WeakPolarHBondContact O-CB 3.19Å; K36-L39 PolarHBondContact O-N 3.09Å; E37-L39 PolarHBondContact O-N 2.73Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 2.96Å; L39-G42 PolarHBondContact O-N 3.42Å; L39-V57 HydrophobicContact CD2-CG1 4.17Å; L39-Y59 HydrophobicContact CB-CD2 4.45Å; L39-Y59 HydrophobicContact CB-CE2 3.98Å; L39-Y59 HydrophobicContact CD2-CD1 3.65Å; L39-Y59 HydrophobicContact CD2-CD2 4.16Å; L39-Y59 HydrophobicContact CD2-CE1 3.6Å; L39-Y59 HydrophobicContact CD2-CE2 4.09Å; L39-Y59 HydrophobicContact CD2-CG 3.93Å; L39-Y59 WeakPolarHBondContact O-CE2 3.37Å; L39-Y59 PolarHBondContact O-OH 3.02Å; L39-F64 HydrophobicContact CB-CD1 3.83Å; L39-F64 HydrophobicContact CB-CE1 4.14Å; L39-F64 HydrophobicContact CB-CG 4.08Å; L39-F64 HydrophobicContact CD1-CD1 4.19Å; L39-F64 HydrophobicContact CD1-CE1 3.62Å; L39-F64 HydrophobicContact CD1-CE2 4.5Å; L39-F64 HydrophobicContact CD1-CZ 3.79Å |
| 40 | E | 93 | Very high | 95.2 | Very high | 72 Ų | 72 | 53.5 Ų | 53.5 | 34% | 0.336 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -62.8 | -35.1 | 175.7 | -60.1 | -178.4 | 84 | 0 | 0 | 111.6 | K36 E37 D38 G42 F64 | K36-E40 HydrophobicContact CG-CG 4.31Å; K36-E40 VanDerWaalsContact O-CG 3.31Å; K36-E40 WeakPolarHBondContact O-CG 3.25Å; K36-E40 PolarHBondContact O-N 2.82Å; E37-E40 PolarHBondContact O-N 2.79Å; D38-E40 VanDerWaalsContact C-N 3.34Å; D38-E40 PolarHBondContact O-N 3.13Å; E40-G42 PolarHBondContact O-N 3.16Å; E40-F64 HydrophobicContact CG-CB 4.08Å; E40-F64 HydrophobicContact CG-CD1 4.44Å; E40-F64 WeakPolarHBondContact CG-O 3.42Å |
| 41 | N | 93.6 | Very high | 95 | Very high | 120 Ų | 120 | 52.4 Ų | 52.4 | 64% | 0.642 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -4.6 | 174.4 | -77.4 | -75.9 | 0 | 0 | 0 | 113.6 | E37 D38 L39 | E37-N41 WeakPolarHBondContact CG-ND2 3.15Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 2.82Å; D38-N41 CarbonylContact O-C 3.52Å; D38-N41 PolarHBondContact O-N 3.09Å; D38-N41 VanDerWaalsContact O-N 3.13Å; L39-N41 VanDerWaalsContact C-N 3.28Å; L39-N41 PolarHBondContact O-N 2.96Å |
| 42 | G | 93 | Very high | 94.6 | Very high | 19 Ų | 19 | 53.6 Ų | 53.6 | 20% | 0.196 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 93.6 | 7.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D38 L39 E40 Y59 K61 | D38-G42 PolarHBondContact O-N 3Å; L39-G42 PolarHBondContact O-N 3.42Å; E40-G42 PolarHBondContact O-N 3.16Å; G42-Y59 WeakPolarHBondContact CA-OH 3.47Å; G42-Y59 PolarHBondContact O-OH 3.46Å; G42-K61 PolarHBondContact O-NZ 2.93Å |
| 43 | E | 95.3 | Very high | 94.5 | Very high | 104 Ų | 104 | 56.6 Ų | 56.6 | 49% | 0.486 | 33% | 0.325 | S | S | . | . | trans | -74.1 | 139.4 | 175.8 | -65.9 | -70.1 | 100.8 | 0 | 0 | 110.7 | D38 Y59 | D38-E43 HydrophobicContact CB-CB 3.95Å; D38-E43 HydrophobicContact CB-CG 4.3Å; D38-E43 VanDerWaalsContact O-CB 3.3Å; D38-E43 WeakPolarHBondContact O-CB 3.42Å; D38-E43 PolarHBondContact O-N 3.29Å; E43-Y59 VanDerWaalsContact O-CE1 3.26Å; E43-Y59 WeakPolarHBondContact O-CE1 3.21Å; E43-Y59 PolarHBondContact O-OH 2.76Å; E43-Y59 VanDerWaalsContact O-OH 3.12Å | ||
| 44 | D | 95.3 | Very high | 94.5 | Very high | 37 Ų | 37 | 56.8 Ų | 56.8 | 20% | 0.198 | 32% | 0.322 | C | S | . | . | trans | -126.6 | 24.5 | -178.2 | 58.6 | -99.2 | 0 | 0 | 0 | 112.4 | K56 V57 Y59 | D44-K56 CarbonylContact O-C 3.55Å; D44-K56 WeakPolarHBondContact O-CA 3.45Å; D44-K56 IonicContact OD1-NZ 3.92Å; D44-K56 WeakPolarHBondContact OD2-CG 3.43Å; D44-K56 IonicContact OD2-NZ 2.68Å; D44-K56 PolarHBondContact OD2-NZ 2.91Å; D44-V57 PolarHBondContact O-N 3.27Å; D44-Y59 HydrophobicContact CB-CD1 4.42Å; D44-Y59 HydrophobicContact CB-CE1 3.85Å | ||
| 45 | V | 96.3 | Very high | 94.4 | Very high | 46 Ų | 46 | 56.6 Ų | 56.6 | 28% | 0.279 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 106.2 | -173.9 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | F4 T47 I54 | F4-V45 HydrophobicContact CE1-CG1 4.22Å; F4-V45 HydrophobicContact CE1-CG2 3.92Å; F4-V45 HydrophobicContact CZ-CG2 4.3Å; V45-T47 HydrophobicContact CG1-CG2 4.24Å; V45-I54 HydrophobicContact CG1-CB 3.91Å; V45-I54 HydrophobicContact CG1-CD1 4.34Å; V45-I54 HydrophobicContact CG1-CG2 4.17Å |
| 46 | A | 96.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 137.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 110 | F13 F32 S33 I34 I54 I55 V57 | F13-A46 HydrophobicContact CE1-CB 3.84Å; F13-A46 HydrophobicContact CZ-CB 4.1Å; F32-A46 HydrophobicContact CB-CB 4.03Å; S33-A46 WeakPolarHBondContact O-CA 3.32Å; I34-A46 HydrophobicContact CB-CB 3.9Å; I34-A46 HydrophobicContact CG2-CB 4.08Å; A46-I54 VanDerWaalsContact O-CA 3.29Å; A46-I54 WeakPolarHBondContact O-CA 3.45Å; A46-I55 HydrophobicContact CB-CD1 4.32Å; A46-I55 HydrophobicContact CB-CG1 3.82Å; A46-I55 PolarHBondContact N-O 3.26Å; A46-I55 PolarHBondContact O-N 3.24Å; A46-V57 HydrophobicContact CB-CG2 3.71Å |
| 47 | T | 95.9 | Very high | 94.6 | Very high | 66 Ų | 66 | 54.5 Ų | 54.5 | 41% | 0.405 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 142.2 | -173.4 | 68 | 0 | 0 | 0 | 0 | 111 | F32 S33 V45 I54 | F32-T47 CarbonylContact C-O 3.56Å; F32-T47 WeakPolarHBondContact CA-O 3.21Å; S33-T47 PolarHBondContact N-O 3.36Å; S33-T47 PolarHBondContact O-N 3.24Å; S33-T47 VanDerWaalsContact O-N 3.08Å; S33-T47 PolarHBondContact OG-O 2.98Å; V45-T47 HydrophobicContact CG1-CG2 4.24Å; T47-I54 HydrophobicContact CG2-CG2 3.82Å |
| 48 | C | 96.3 | Very high | 94.8 | Very high | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.02 | 30% | 0.296 | C | S | . | . | trans | -95.6 | 121.8 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 109.6 | C26 F32 S50 S52 L53 | C26-C48 HydrophobicContact CB-CB 4.26Å; F32-C48 HydrophobicContact CD1-CB 3.6Å; F32-C48 HydrophobicContact CE1-CB 3.69Å; F32-C48 HydrophobicContact CG-CB 4.27Å; F32-C48 HydrophobicContact CZ-CB 4.45Å; C48-S50 PolarHBondContact O-N 3.19Å; C48-S52 VanDerWaalsContact O-CA 3.26Å; C48-S52 WeakPolarHBondContact O-CA 3.47Å; C48-S52 PolarHBondContact O-N 2.99Å; C48-L53 PolarHBondContact N-O 3.04Å | ||
| 49 | P | 94.2 | Very high | 94.8 | Very high | 100 Ų | 100 | 50 Ų | 50 | 65% | 0.649 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -18.8 | -177.5 | 26.9 | -34.5 | 0 | 0 | 0 | 113.6 | N31 | N31-P49 WeakPolarHBondContact O-CD 3.32Š|
| 50 | S | 94.1 | Very high | 94.7 | Very high | 71 Ų | 71 | 53.8 Ų | 53.8 | 50% | 0.497 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | -50.5 | -172.4 | -176.8 | 0 | 0 | 0 | 0 | 113.3 | D30 C48 | D30-S50 WeakPolarHBondContact OD2-CB 3.49Å; D30-S50 PolarHBondContact OD2-OG 2.62Å; C48-S50 PolarHBondContact O-N 3.19Å |
| 51 | C | 92.7 | Very high | 94.5 | Very high | 48 Ų | 48 | 55.3 Ų | 55.3 | 32% | 0.324 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | -2.7 | -178.7 | 63.6 | 0 | 0 | 0 | 0 | 113.9 | C26 C28 L53 | C26-C51 PolarHBondContact SG-SG 3.46Å; C28-C51 HydrophobicContact CB-CB 3.87Å; C28-C51 VanDerWaalsContact SG-SG 3.64Å; C51-L53 HydrophobicContact CB-CG 4.35Å; C51-L53 PolarHBondContact O-N 3.24Å; C51-L53 VanDerWaalsContact SG-CG 3.52Å |
| 52 | S | 87.6 | Confident | 94.3 | Very high | 99 Ų | 99 | 55.8 Ų | 55.8 | 69% | 0.692 | 32% | 0.315 | S | S | * | . | trans | 57.8 | 14.7 | -177.3 | -48.1 | 0 | 0 | 0 | 0 | 114.6 | C48 | C48-S52 VanDerWaalsContact O-CA 3.26Å; C48-S52 WeakPolarHBondContact O-CA 3.47Å; C48-S52 PolarHBondContact O-N 2.99Å | ||
| 53 | L | 94.1 | Very high | 93.9 | Very high | 65 Ų | 65 | 59.9 Ų | 59.9 | 34% | 0.34 | 33% | 0.329 | S | S | . | . | trans | -63.9 | 154.7 | 167.6 | -68.9 | 178.8 | 0 | 0 | 0 | 109.3 | P27 F32 C48 C51 | P27-L53 HydrophobicContact CG-CD1 4.4Å; F32-L53 HydrophobicContact CE1-CB 3.63Å; F32-L53 WeakPolarHBondContact CE1-O 3.48Å; F32-L53 HydrophobicContact CZ-CB 3.91Å; C48-L53 PolarHBondContact N-O 3.04Å; C51-L53 HydrophobicContact CB-CG 4.35Å; C51-L53 PolarHBondContact O-N 3.24Å; C51-L53 VanDerWaalsContact SG-CG 3.52Å | ||
| 54 | I | 95.8 | Very high | 93.4 | Very high | 40 Ų | 40 | 55.9 Ų | 55.9 | 21% | 0.205 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132 | 144.4 | 176.3 | 62.5 | 177.4 | 0 | 0 | 0 | 109.6 | A2 F4 H5 V45 A46 T47 | A2-I54 HydrophobicContact CB-CD1 3.94Å; F4-I54 HydrophobicContact CD1-CD1 4.12Å; F4-I54 HydrophobicContact CD1-CG1 4.07Å; F4-I54 HydrophobicContact CE1-CD1 4.12Å; F4-I54 HydrophobicContact CE1-CG1 4.49Å; H5-I54 WeakPolarHBondContact CB-O 3.42Å; H5-I54 PolarHBondContact N-O 2.85Å; V45-I54 HydrophobicContact CG1-CB 3.91Å; V45-I54 HydrophobicContact CG1-CD1 4.34Å; V45-I54 HydrophobicContact CG1-CG2 4.17Å; A46-I54 VanDerWaalsContact O-CA 3.29Å; A46-I54 WeakPolarHBondContact O-CA 3.45Å; T47-I54 HydrophobicContact CG2-CG2 3.82Å |
| 55 | I | 96 | Very high | 92.7 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.005 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 152.8 | 171.5 | 58.4 | 176.7 | 0 | 0 | 0 | 109.1 | H5 D6 V8 F13 Y24 F32 A46 | H5-I55 HydrophobicContact CB-CG2 3.95Å; D6-I55 HydrophobicContact CB-CG2 4.16Å; D6-I55 WeakPolarHBondContact O-CA 3.29Å; D6-I55 WeakPolarHBondContact O-CB 3.43Å; V8-I55 HydrophobicContact CB-CD1 4.37Å; V8-I55 HydrophobicContact CG2-CD1 4.09Å; F13-I55 HydrophobicContact CE1-CD1 4.19Å; F13-I55 HydrophobicContact CE2-CD1 4.31Å; F13-I55 HydrophobicContact CZ-CD1 3.5Å; F13-I55 VanDerWaalsContact CZ-CD1 3.5Å; F13-I55 HydrophobicContact CZ-CG1 4.29Å; Y24-I55 HydrophobicContact CD1-CD1 3.82Å; Y24-I55 HydrophobicContact CG-CD1 4.09Å; F32-I55 HydrophobicContact CB-CD1 4.02Å; F32-I55 HydrophobicContact CB-CG1 4.3Å; F32-I55 HydrophobicContact CD1-CD1 4.42Å; F32-I55 HydrophobicContact CD1-CG1 4.1Å; F32-I55 HydrophobicContact CD1-CG2 4.38Å; F32-I55 HydrophobicContact CD2-CD1 3.78Å; F32-I55 HydrophobicContact CD2-CG1 4.32Å; F32-I55 HydrophobicContact CD2-CG2 4.41Å; F32-I55 HydrophobicContact CE1-CG2 3.98Å; F32-I55 HydrophobicContact CE2-CD1 4.33Å; F32-I55 HydrophobicContact CE2-CG2 3.97Å; F32-I55 HydrophobicContact CG-CD1 3.83Å; F32-I55 HydrophobicContact CG-CG1 4Å; F32-I55 HydrophobicContact CZ-CG2 3.77Å; A46-I55 HydrophobicContact CB-CD1 4.32Å; A46-I55 HydrophobicContact CB-CG1 3.82Å; A46-I55 PolarHBondContact N-O 3.26Å; A46-I55 PolarHBondContact O-N 3.24Å |
| 56 | K | 96.9 | Very high | 91.2 | Very high | 56 Ų | 56 | 61.7 Ų | 61.7 | 24% | 0.243 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 128.6 | 173.6 | -169.3 | 175.8 | 171.8 | 72.8 | 0 | 109 | F4 D6 E7 V8 D44 I58 | F4-K56 HydrophobicContact CB-CB 4.47Å; F4-K56 HydrophobicContact CD1-CB 3.85Å; F4-K56 HydrophobicContact CD2-CB 4.36Å; F4-K56 HydrophobicContact CE1-CB 4.12Å; F4-K56 HydrophobicContact CE2-CD 4.42Å; F4-K56 HydrophobicContact CG-CB 3.97Å; F4-K56 HydrophobicContact CZ-CB 4.5Å; D6-K56 PolarHBondContact O-N 3.47Å; E7-K56 CarbonylContact C-O 3.58Å; E7-K56 WeakPolarHBondContact CA-O 3.46Å; E7-K56 HydrophobicContact CB-CB 4.43Å; E7-K56 HydrophobicContact CG-CB 4.03Å; E7-K56 HydrophobicContact CG-CD 4.3Å; E7-K56 WeakPolarHBondContact OE1-CD 3.34Å; V8-K56 PolarHBondContact N-O 3.34Å; D44-K56 CarbonylContact O-C 3.55Å; D44-K56 WeakPolarHBondContact O-CA 3.45Å; D44-K56 IonicContact OD1-NZ 3.92Å; D44-K56 WeakPolarHBondContact OD2-CG 3.43Å; D44-K56 IonicContact OD2-NZ 2.68Å; D44-K56 PolarHBondContact OD2-NZ 2.91Å; K56-I58 HydrophobicContact CD-CD1 4.31Å; K56-I58 HydrophobicContact CG-CD1 4.27Å |
| 57 | V | 97.2 | Very high | 89.5 | Confident | 3 Ų | 3 | 63.9 Ų | 63.9 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | 119.2 | 179.2 | -170.7 | 0 | 0 | 0 | 0 | 108.3 | V8 I10 F13 I34 L39 D44 A46 Y59 | V8-V57 CarbonylContact O-C 3.56Å; V8-V57 WeakPolarHBondContact O-CA 3.31Å; I10-V57 HydrophobicContact CB-CG1 4.09Å; I10-V57 HydrophobicContact CD1-CG1 3.8Å; I10-V57 HydrophobicContact CG1-CG1 4.48Å; F13-V57 HydrophobicContact CE1-CG2 4.33Å; F13-V57 HydrophobicContact CE2-CG1 4.13Å; F13-V57 HydrophobicContact CE2-CG2 4.36Å; F13-V57 HydrophobicContact CZ-CG1 4.28Å; F13-V57 HydrophobicContact CZ-CG2 3.75Å; I34-V57 HydrophobicContact CD1-CG2 4.1Å; I34-V57 HydrophobicContact CG2-CG2 4.23Å; L39-V57 HydrophobicContact CD2-CG1 4.17Å; D44-V57 PolarHBondContact O-N 3.27Å; A46-V57 HydrophobicContact CB-CG2 3.71Å; V57-Y59 HydrophobicContact CG1-CD1 4.34Å |
| 58 | I | 97.2 | Very high | 87.3 | Confident | 69 Ų | 69 | 69.3 Ų | 69.3 | 35% | 0.354 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 109.9 | 174.9 | -52.2 | -55.9 | 0 | 0 | 0 | 107.5 | E7 V8 E9 I10 K56 | E7-I58 HydrophobicContact CB-CD1 4.25Å; E7-I58 HydrophobicContact CB-CG1 4.2Å; V8-I58 PolarHBondContact O-N 3.02Å; E9-I58 CarbonylContact C-O 3.42Å; E9-I58 WeakPolarHBondContact CA-O 3.46Å; E9-I58 HydrophobicContact CG-CB 4.29Å; I10-I58 PolarHBondContact N-O 3.43Å; K56-I58 HydrophobicContact CD-CD1 4.31Å; K56-I58 HydrophobicContact CG-CD1 4.27Å |
| 59 | Y | 95.4 | Very high | 85 | Confident | 29 Ų | 29 | 75.8 Ų | 75.8 | 11% | 0.114 | 43% | 0.433 | C | S | . | . | trans | -143.7 | 157.3 | -179.7 | 75.9 | -78.4 | 0 | 0 | 0 | 110.8 | L39 G42 E43 D44 V57 K61 F64 | L39-Y59 HydrophobicContact CB-CD2 4.45Å; L39-Y59 HydrophobicContact CB-CE2 3.98Å; L39-Y59 HydrophobicContact CD2-CD1 3.65Å; L39-Y59 HydrophobicContact CD2-CD2 4.16Å; L39-Y59 HydrophobicContact CD2-CE1 3.6Å; L39-Y59 HydrophobicContact CD2-CE2 4.09Å; L39-Y59 HydrophobicContact CD2-CG 3.93Å; L39-Y59 WeakPolarHBondContact O-CE2 3.37Å; L39-Y59 PolarHBondContact O-OH 3.02Å; G42-Y59 WeakPolarHBondContact CA-OH 3.47Å; G42-Y59 PolarHBondContact O-OH 3.46Å; E43-Y59 VanDerWaalsContact O-CE1 3.26Å; E43-Y59 WeakPolarHBondContact O-CE1 3.21Å; E43-Y59 PolarHBondContact O-OH 2.76Å; E43-Y59 VanDerWaalsContact O-OH 3.12Å; D44-Y59 HydrophobicContact CB-CD1 4.42Å; D44-Y59 HydrophobicContact CB-CE1 3.85Å; V57-Y59 HydrophobicContact CG1-CD1 4.34Å; Y59-K61 HydrophobicContact CD2-CG 4.43Å; Y59-K61 HydrophobicContact CE2-CB 4.37Å; Y59-K61 HydrophobicContact CE2-CG 3.75Å; Y59-F64 AromaticContact CD2-CD2 3.53Å; Y59-F64 HydrophobicContact CD2-CD2 3.53Å; Y59-F64 AromaticContact CD2-CE2 3.82Å; Y59-F64 HydrophobicContact CD2-CE2 3.82Å; Y59-F64 HydrophobicContact CD2-CG 4.32Å; Y59-F64 HydrophobicContact CE2-CB 4.49Å; Y59-F64 HydrophobicContact CE2-CD2 4.02Å; Y59-F64 HydrophobicContact CE2-CG 4.41Å; Y59-F64 HydrophobicContact CG-CE2 4.48Å | ||
| 60 | D | 93.3 | Very high | 83.1 | Confident | 81 Ų | 81 | 76.1 Ų | 76.1 | 43% | 0.433 | 43% | 0.433 | S | S | . | . | trans | -88.2 | 118.1 | 173.7 | -173.7 | -78.8 | 0 | 0 | 0 | 109.3 | D62 Q63 F64 | D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 3.14Å; D60-D62 WeakPolarHBondContact OD1-CA 3.44Å; D60-D62 VanDerWaalsContact OD1-CB 3.29Å; D60-D62 WeakPolarHBondContact OD1-CB 3.47Å; D60-D62 PolarHBondContact OD1-N 3.15Å; D60-Q63 HydrophobicContact CB-CG 4.02Å; D60-Q63 WeakPolarHBondContact O-CB 3.38Å; D60-Q63 PolarHBondContact O-N 3.31Å; D60-Q63 VanDerWaalsContact O-N 3.16Å; D60-Q63 PolarHBondContact OD1-N 2.77Å; D60-F64 WeakPolarHBondContact O-CD2 3.36Å | ||
| 61 | K | 88.8 | Confident | 81.1 | Confident | 105 Ų | 105 | 78.4 Ų | 78.4 | 46% | 0.457 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -65.2 | -31.9 | -175.8 | -65 | -170.5 | 176 | -165.9 | 0 | 112.1 | G42 Y59 Q63 F64 V65 | G42-K61 PolarHBondContact O-NZ 2.93Å; Y59-K61 HydrophobicContact CD2-CG 4.43Å; Y59-K61 HydrophobicContact CE2-CB 4.37Å; Y59-K61 HydrophobicContact CE2-CG 3.75Å; K61-Q63 PolarHBondContact O-N 2.78Å; K61-F64 CarbonylContact O-C 3.56Å; K61-F64 PolarHBondContact O-N 2.74Å; K61-V65 WeakPolarHBondContact O-CG1 3.22Å; K61-V65 PolarHBondContact O-N 3.03Å |
| 62 | D | 88.2 | Confident | 79.2 | Confident | 130 Ų | 130 | 80.6 Ų | 80.6 | 70% | 0.695 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -66.5 | -22.4 | 178.1 | -81.7 | -102 | 0 | 0 | 0 | 112.1 | D60 F64 V65 | D60-D62 VanDerWaalsContact C-N 3.27Å; D60-D62 PolarHBondContact O-N 3.14Å; D60-D62 WeakPolarHBondContact OD1-CA 3.44Å; D60-D62 VanDerWaalsContact OD1-CB 3.29Å; D60-D62 WeakPolarHBondContact OD1-CB 3.47Å; D60-D62 PolarHBondContact OD1-N 3.15Å; D62-F64 PolarHBondContact O-N 3.06Å; D62-V65 WeakPolarHBondContact O-CG2 3.47Å |
| 63 | Q | 84.7 | Confident | 77.6 | Confident | 104 Ų | 104 | 80.8 Ų | 80.8 | 49% | 0.486 | 47% | 0.467 | S | S | . | . | G | 310 helix | trans | -71.2 | -19.6 | 171.7 | -66 | -168.4 | 78.2 | 0 | 0 | 113.6 | D60 K61 | D60-Q63 HydrophobicContact CB-CG 4.02Å; D60-Q63 WeakPolarHBondContact O-CB 3.38Å; D60-Q63 PolarHBondContact O-N 3.31Å; D60-Q63 VanDerWaalsContact O-N 3.16Å; D60-Q63 PolarHBondContact OD1-N 2.77Å; K61-Q63 PolarHBondContact O-N 2.78Å |
| 64 | F | 86.1 | Confident | 75.3 | Confident | 21 Ų | 21 | 82.8 Ų | 82.8 | 9% | 0.092 | 49% | 0.486 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -114.7 | -4.7 | -176.5 | -67.5 | -93.7 | 0 | 0 | 0 | 113.1 | I10 Y22 K36 L39 E40 Y59 D60 K61 D62 C66 | I10-F64 HydrophobicContact CG1-CE2 4.48Å; I10-F64 HydrophobicContact CG1-CZ 4.07Å; Y22-F64 AromaticContact CE2-CE1 3.84Å; Y22-F64 HydrophobicContact CE2-CE1 3.84Å; Y22-F64 HydrophobicContact CE2-CZ 4.26Å; Y22-F64 AromaticContact CZ-CE1 3.88Å; Y22-F64 AromaticContact CZ-CZ 3.98Å; Y22-F64 WeakPolarHBondContact OH-CE1 3.23Å; K36-F64 HydrophobicContact CG-CD1 4.13Å; K36-F64 HydrophobicContact CG-CE1 4.23Å; L39-F64 HydrophobicContact CB-CD1 3.83Å; L39-F64 HydrophobicContact CB-CE1 4.14Å; L39-F64 HydrophobicContact CB-CG 4.08Å; L39-F64 HydrophobicContact CD1-CD1 4.19Å; L39-F64 HydrophobicContact CD1-CE1 3.62Å; L39-F64 HydrophobicContact CD1-CE2 4.5Å; L39-F64 HydrophobicContact CD1-CZ 3.79Å; E40-F64 HydrophobicContact CG-CB 4.08Å; E40-F64 HydrophobicContact CG-CD1 4.44Å; E40-F64 WeakPolarHBondContact CG-O 3.42Å; Y59-F64 AromaticContact CD2-CD2 3.53Å; Y59-F64 HydrophobicContact CD2-CD2 3.53Å; Y59-F64 AromaticContact CD2-CE2 3.82Å; Y59-F64 HydrophobicContact CD2-CE2 3.82Å; Y59-F64 HydrophobicContact CD2-CG 4.32Å; Y59-F64 HydrophobicContact CE2-CB 4.49Å; Y59-F64 HydrophobicContact CE2-CD2 4.02Å; Y59-F64 HydrophobicContact CE2-CG 4.41Å; Y59-F64 HydrophobicContact CG-CE2 4.48Å; D60-F64 WeakPolarHBondContact O-CD2 3.36Å; K61-F64 CarbonylContact O-C 3.56Å; K61-F64 PolarHBondContact O-N 2.74Å; D62-F64 PolarHBondContact O-N 3.06Å; F64-C66 PolarHBondContact O-N 3.18Å |
| 65 | V | 79.2 | Confident | 73 | Confident | 75 Ų | 75 | 86 Ų | 86 | 46% | 0.455 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -69 | 135.7 | 172.5 | -66.1 | 0 | 0 | 0 | 0 | 110.2 | K61 D62 G67 | K61-V65 WeakPolarHBondContact O-CG1 3.22Å; K61-V65 PolarHBondContact O-N 3.03Å; D62-V65 WeakPolarHBondContact O-CG2 3.47Å; V65-G67 PolarHBondContact O-N 3.15Å |
| 66 | C | 66.2 | Low | 70.6 | Confident | 130 Ų | 130 | 89.3 Ų | 89.3 | 88% | 0.878 | 54% | 0.537 | S | S | * | . | S | Bend | trans | -65.9 | 20.5 | -175.1 | -155.9 | 0 | 0 | 0 | 0 | 115.1 | F64 | F64-C66 PolarHBondContact O-N 3.18Š|
| 67 | G | 59.6 | Low | 68.2 | Low | 45 Ų | 45 | 92.4 Ų | 92.4 | 46% | 0.464 | 55% | 0.55 | S | S | . | . | S | Bend | trans | -113.7 | 109.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | V65 | V65-G67 PolarHBondContact O-N 3.15Š|
| 68 | E | 49.9 | Very low | 65.6 | Low | 180 Ų | 180 | 101.2 Ų | 101.2 | 84% | 0.841 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 75.8 | 86.1 | 158.4 | -58.2 | 177.2 | 82.5 | 0 | 0 | 116.9 | ||
| 69 | T | 48.4 | Very low | 63.4 | Low | 140 Ų | 140 | 103.7 Ų | 103.7 | 86% | 0.859 | 60% | 0.604 | S | S | * | * | trans | 40.3 | 89.1 | 143.7 | 48.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 70 | V | 54.8 | Low | 60.9 | Low | 106 Ų | 106 | 107.7 Ų | 107.7 | 64% | 0.642 | 63% | 0.632 | S | S | * | * | trans | -125 | 126.4 | 154.2 | -79.5 | 0 | 0 | 0 | 0 | 110.3 | A72 | V70-A72 PolarHBondContact O-N 2.87Š| ||
| 71 | P | 51 | Low | 58.7 | Low | 120 Ų | 120 | 112.3 Ų | 112.3 | 78% | 0.779 | 65% | 0.648 | S | S | * | * | trans | -70.5 | 130.5 | -177.2 | 29 | -31.7 | 0 | 0 | 0 | 109.5 | ||||
| 72 | A | 53.1 | Low | 56.8 | Low | 93 Ų | 93 | 116.4 Ų | 116.4 | 77% | 0.769 | 69% | 0.687 | S | S | * | * | trans | -29.7 | 116.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | V70 S74 | V70-A72 PolarHBondContact O-N 2.87Å; A72-S74 PolarHBondContact O-N 2.87Å; A72-S74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | P | 53.1 | Low | 55.2 | Low | 103 Ų | 103 | 115.7 Ų | 115.7 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | trans | -71.7 | 110.1 | 173.2 | 25.7 | -28.4 | 0 | 0 | 0 | 110 | ||||
| 74 | S | 46.6 | Very low | 53.7 | Low | 107 Ų | 107 | 116.3 Ų | 116.3 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | trans | 45.6 | 95.6 | 135.5 | -43.8 | 0 | 0 | 0 | 0 | 118.8 | A72 | A72-S74 PolarHBondContact O-N 2.87Å; A72-S74 VanDerWaalsContact O-N 3.15Å | ||
| 75 | A | 46.4 | Very low | 51.9 | Low | 108 Ų | 108 | 121.6 Ų | 121.6 | 89% | 0.893 | 73% | 0.731 | S | S | * | * | trans | -13.5 | 127.8 | 150.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 76 | N | 45.4 | Very low | 50.3 | Low | 71 Ų | 71 | 124.4 Ų | 124.4 | 38% | 0.38 | 75% | 0.747 | S | S | . | * | trans | -144.7 | 128.7 | 152.4 | 58.2 | -30 | 0 | 0 | 0 | 113.2 | ||||
| 77 | K | 46.7 | Very low | 49.3 | Very low | 120 Ų | 120 | 124 Ų | 124 | 52% | 0.522 | 74% | 0.739 | S | S | . | * | trans | 65 | 81.5 | 149.7 | 68.4 | -164.6 | 170.8 | -174.3 | 0 | 118.8 | D12 Q14 L79 | D12-K77 IonicContact OD2-NZ 3.6Å; Q14-K77 PolarHBondContact NE2-O 2.95Å; K77-L79 PolarHBondContact O-N 3.49Å | ||
| 78 | E | 44.4 | Very low | 48.6 | Very low | 189 Ų | 189 | 129.3 Ų | 129.3 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | 27 | 81.9 | 115.5 | -163.2 | 164.5 | 99.2 | 0 | 0 | 115 | V80 | E78-V80 VanDerWaalsContact C-N 3.35Å; E78-V80 PolarHBondContact O-N 3.3Å | |||
| 79 | L | 50.8 | Low | 48.5 | Very low | 120 Ų | 120 | 125.6 Ų | 125.6 | 63% | 0.628 | 75% | 0.751 | S | S | * | * | trans | -73.6 | 96.3 | 161.4 | -170.1 | 76 | 0 | 0 | 0 | 107.4 | K77 K81 | K77-L79 PolarHBondContact O-N 3.49Å; L79-K81 PolarHBondContact O-N 3Å | ||
| 80 | V | 41.7 | Very low | 48.5 | Very low | 114 Ų | 114 | 124.5 Ų | 124.5 | 69% | 0.691 | 74% | 0.743 | S | S | * | * | trans | -58.8 | 104.3 | 169.7 | 58 | 0 | 0 | 0 | 0 | 109.1 | E78 | E78-V80 VanDerWaalsContact C-N 3.35Å; E78-V80 PolarHBondContact O-N 3.3Å | ||
| 81 | K | 48.4 | Very low | 48 | Very low | 178 Ų | 178 | 126.1 Ų | 126.1 | 77% | 0.774 | 75% | 0.752 | S | S | * | * | trans | -91 | 103.5 | 167.4 | -56.3 | 169.4 | -169.7 | -179 | 0 | 105.5 | L79 | L79-K81 PolarHBondContact O-N 3Š| ||
| 82 | C | 48.3 | Very low | 47.7 | Very low | 190 Ų | 190 | 126.6 Ų | 126.6 | 100% | 1.284 | 75% | 0.749 | S | S | * | * | trans | -61.1 | 0 | 166.6 | -75.9 | 0 | 0 | 0 | 0 | 111.1 |
Retrieved 82 of 82 residues in 385.5 ms
(Link to these results)