| 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 | 35.5 | Very low | 52.9 | Low | 244 Ų | 244 | 103.9 Ų | 103.9 | 100% | 1.202 | 59% | 0.594 | S | S | * | * | 0 | 113.9 | 0 | -70.2 | -141.4 | -100.3 | 0 | 0 | 107.7 | |||||
| 2 | T | 37.9 | Very low | 56.4 | Low | 141 Ų | 141 | 99.1 Ų | 99.1 | 87% | 0.865 | 57% | 0.567 | S | S | * | * | trans | -91.1 | 114.4 | -179.1 | -20 | 0 | 0 | 0 | 0 | 107.7 | V4 | T2-V4 PolarHBondContact O-N 3.16Š| ||
| 3 | F | 49.2 | Very low | 59.4 | Low | 134 Ų | 134 | 103.2 Ų | 103.2 | 59% | 0.588 | 57% | 0.57 | S | S | * | * | trans | -77.6 | 115.3 | 178 | -174 | -94.9 | 0 | 0 | 0 | 108.8 | A5 I150 | F3-A5 HydrophobicContact CE1-CB 4.39Å; F3-I150 HydrophobicContact CE1-CD1 3.89Å; F3-I150 HydrophobicContact CE1-CG1 4.2Å; F3-I150 HydrophobicContact CE1-CG2 4.38Å; F3-I150 HydrophobicContact CZ-CD1 4Å; F3-I150 HydrophobicContact CZ-CG1 4.37Å; F3-I150 HydrophobicContact CZ-CG2 3.74Å | ||
| 4 | V | 42.8 | Very low | 62.1 | Low | 127 Ų | 127 | 104.4 Ų | 104.4 | 77% | 0.77 | 58% | 0.575 | S | S | * | * | trans | -95.1 | 111 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 107.3 | T2 | T2-V4 PolarHBondContact O-N 3.16Š| ||
| 5 | A | 45.3 | Very low | 64.4 | Low | 28 Ų | 28 | 98.7 Ų | 98.7 | 23% | 0.231 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -64.5 | 139.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | F3 Y9 | F3-A5 HydrophobicContact CE1-CB 4.39Å; A5-Y9 WeakPolarHBondContact CB-O 2.79Å |
| 6 | P | 45.2 | Very low | 66.5 | Low | 67 Ų | 67 | 98.6 Ų | 98.6 | 44% | 0.435 | 55% | 0.554 | S | S | . | * | P | Polyproline II helix | trans | -55.1 | 149.6 | 174.8 | -23.6 | 32.5 | 0 | 0 | 0 | 111.9 | G8 Y9 | P6-G8 PolarHBondContact O-N 2.84Å; P6-G8 VanDerWaalsContact O-N 3.15Å; P6-Y9 PolarHBondContact O-N 2.92Å |
| 7 | P | 42.9 | Very low | 68.3 | Low | 130 Ų | 130 | 95.9 Ų | 95.9 | 84% | 0.844 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54 | 121.9 | 176.7 | -20.9 | 30.6 | 0 | 0 | 0 | 110.7 | ||
| 8 | G | 53 | Low | 70 | Confident | 49 Ų | 49 | 96.2 Ų | 96.2 | 51% | 0.505 | 54% | 0.544 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 118.3 | -17.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | P6 | P6-G8 PolarHBondContact O-N 2.84Å; P6-G8 VanDerWaalsContact O-N 3.15Å |
| 9 | Y | 64.5 | Low | 71.4 | Confident | 15 Ų | 15 | 93.4 Ų | 93.4 | 6% | 0.059 | 52% | 0.524 | C | S | . | . | trans | -119.5 | 78.5 | 173 | -61.5 | -78.1 | 0 | 0 | 0 | 110 | A5 P6 I23 Y24 G26 I149 A152 A153 | A5-Y9 WeakPolarHBondContact CB-O 2.79Å; P6-Y9 PolarHBondContact O-N 2.92Å; Y9-I23 HydrophobicContact CE1-CG2 4.08Å; Y9-Y24 WeakPolarHBondContact CE1-O 3.49Å; Y9-Y24 PolarHBondContact OH-O 2.85Å; Y9-G26 PolarHBondContact OH-O 3.36Å; Y9-I149 WeakPolarHBondContact CB-O 3.29Å; Y9-I149 HydrophobicContact CD1-CB 3.93Å; Y9-I149 HydrophobicContact CD1-CG2 4.11Å; Y9-I149 HydrophobicContact CE1-CG2 4.24Å; Y9-A152 HydrophobicContact CD1-CB 4.15Å; Y9-A152 HydrophobicContact CD2-CB 4.45Å; Y9-A152 HydrophobicContact CE1-CB 3.4Å; Y9-A152 HydrophobicContact CE2-CB 3.75Å; Y9-A152 VanDerWaalsContact OH-C 3.28Å; Y9-A152 WeakPolarHBondContact OH-CB 3.48Å; Y9-A153 VanDerWaalsContact OH-C 3.25Å; Y9-A153 PolarHBondContact OH-N 3.33Å; Y9-A153 PolarHBondContact OH-O 3.15Å | ||
| 10 | Q | 78.1 | Confident | 72.7 | Confident | 175 Ų | 175 | 92.5 Ų | 92.5 | 82% | 0.818 | 52% | 0.517 | S | S | * | . | P | Polyproline II helix | trans | -78.9 | 136.3 | 170 | -68.6 | -160.6 | -18.2 | 0 | 0 | 109.6 | ||
| 11 | P | 88.1 | Confident | 73.8 | Confident | 33 Ų | 33 | 88.1 Ų | 88.1 | 21% | 0.214 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 140.8 | 171.3 | -19.4 | 30.4 | 0 | 0 | 0 | 110.6 | Y13 T146 I147 N148 | P11-Y13 HydrophobicContact CB-CE1 4.27Å; P11-Y13 HydrophobicContact CB-CE2 3.81Å; P11-Y13 HydrophobicContact CG-CE2 4.4Å; P11-Y13 WeakPolarHBondContact O-CD2 3.2Å; P11-T146 HydrophobicContact CB-CG2 3.88Å; P11-I147 CarbonylContact C-O 3.57Å; P11-I147 VanDerWaalsContact CA-O 3.31Å; P11-I147 WeakPolarHBondContact CA-O 3.21Å; P11-N148 HydrophobicContact CB-CB 4.19Å; P11-N148 HydrophobicContact CG-CB 4.37Å |
| 12 | V | 93.9 | Very high | 76.5 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 28% | 0.279 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 122.4 | 172.9 | 179.7 | 0 | 0 | 0 | 0 | 107.4 | P15 Y19 T146 I147 | V12-P15 HydrophobicContact CG1-CB 3.98Å; V12-P15 HydrophobicContact CG1-CG 4.18Å; V12-Y19 HydrophobicContact CG1-CE2 4.01Å; V12-Y19 WeakPolarHBondContact CG2-OH 3.36Å; V12-T146 CarbonylContact O-C 3.55Å; V12-T146 VanDerWaalsContact O-CA 3.26Å; V12-T146 WeakPolarHBondContact O-CA 3.17Å; V12-I147 HydrophobicContact CB-CB 4.32Å; V12-I147 PolarHBondContact N-O 3.36Å; V12-I147 PolarHBondContact O-N 2.77Å |
| 13 | Y | 96.5 | Very high | 79 | Confident | 152 Ų | 152 | 72.2 Ų | 72.2 | 60% | 0.596 | 41% | 0.41 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 135.3 | -177.2 | -63.6 | -79.3 | 0 | 0 | 0 | 111.4 | P11 P15 Q145 T146 | P11-Y13 HydrophobicContact CB-CE1 4.27Å; P11-Y13 HydrophobicContact CB-CE2 3.81Å; P11-Y13 HydrophobicContact CG-CE2 4.4Å; P11-Y13 WeakPolarHBondContact O-CD2 3.2Å; Y13-P15 VanDerWaalsContact C-CD 3.46Å; Y13-Q145 WeakPolarHBondContact CA-O 3.43Å; Y13-T146 HydrophobicContact CD1-CG2 4.2Å; Y13-T146 WeakPolarHBondContact CD1-OG1 3.36Å; Y13-T146 HydrophobicContact CE1-CG2 4Å |
| 14 | N | 96.6 | Very high | 80.6 | Confident | 120 Ų | 120 | 73.4 Ų | 73.4 | 64% | 0.642 | 41% | 0.412 | S | S | * | . | S | Bend | trans | 44.5 | 49.5 | 175.2 | -54.2 | -60 | 0 | 0 | 0 | 114.6 | I144 Q145 | N14-I144 WeakPolarHBondContact CA-O 3.27Å; N14-Q145 PolarHBondContact N-O 2.69Å |
| 15 | P | 97.1 | Very high | 82.4 | Confident | 19 Ų | 19 | 70.2 Ų | 70.2 | 12% | 0.123 | 41% | 0.405 | C | S | . | . | trans | -64.9 | 143.7 | 179.6 | 28.9 | -34.8 | 0 | 0 | 0 | 111.3 | V12 Y13 Y19 I144 I147 | V12-P15 HydrophobicContact CG1-CB 3.98Å; V12-P15 HydrophobicContact CG1-CG 4.18Å; Y13-P15 VanDerWaalsContact C-CD 3.46Å; P15-Y19 HydrophobicContact CB-CD2 3.46Å; P15-Y19 VanDerWaalsContact CB-CD2 3.46Å; P15-Y19 HydrophobicContact CB-CE2 3.94Å; P15-Y19 HydrophobicContact CB-CG 3.89Å; P15-Y19 HydrophobicContact CG-CD2 4.35Å; P15-Y19 HydrophobicContact CG-CG 4.37Å; P15-I144 WeakPolarHBondContact CD-O 3.49Å; P15-I144 HydrophobicContact CG-CB 4.01Å; P15-I144 HydrophobicContact CG-CG2 3.85Å; P15-I147 HydrophobicContact CG-CD1 4.19Å | ||
| 16 | S | 97.3 | Very high | 84.4 | Confident | 98 Ų | 98 | 69 Ų | 69 | 69% | 0.685 | 40% | 0.395 | S | S | * | . | trans | -65 | 142.5 | 167.8 | 57 | 0 | 0 | 0 | 0 | 110.8 | P18 Y19 | S16-P18 CarbonylContact O-C 3.58Å; S16-P18 VanDerWaalsContact O-C 3.32Å; S16-Y19 PolarHBondContact O-N 3.02Å | ||
| 17 | I | 97.8 | Very high | 86.5 | Confident | 53 Ų | 53 | 66.3 Ų | 66.3 | 27% | 0.272 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -105 | 129.7 | 177.2 | -56.7 | -54.8 | 0 | 0 | 0 | 109.4 | V138 V142 I144 | I17-V138 HydrophobicContact CD1-CB 4.11Å; I17-V138 HydrophobicContact CD1-CG1 3.99Å; I17-V142 HydrophobicContact CG1-CG1 4.49Å; I17-V142 HydrophobicContact CG2-CG1 4.46Å; I17-I144 HydrophobicContact CD1-CB 4.41Å; I17-I144 HydrophobicContact CD1-CG1 3.86Å; I17-I144 HydrophobicContact CG1-CG1 4.49Å |
| 18 | P | 97.9 | Very high | 88.7 | Confident | 101 Ų | 101 | 65.9 Ų | 65.9 | 66% | 0.656 | 36% | 0.359 | S | S | * | . | S | Bend | cis | -72.2 | 142 | 6.6 | 31.5 | -35.8 | 0 | 0 | 0 | 113.5 | S16 V138 | S16-P18 CarbonylContact O-C 3.58Å; S16-P18 VanDerWaalsContact O-C 3.32Å; P18-V138 WeakPolarHBondContact CA-O 3.26Å |
| 19 | Y | 97.9 | Very high | 90.7 | Very high | 42 Ų | 42 | 66.9 Ų | 66.9 | 17% | 0.165 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 136.6 | 175.9 | 177.1 | -106.5 | 0 | 0 | 0 | 110 | V12 P15 S16 G21 I136 Q137 V138 I147 | V12-Y19 HydrophobicContact CG1-CE2 4.01Å; V12-Y19 WeakPolarHBondContact CG2-OH 3.36Å; P15-Y19 HydrophobicContact CB-CD2 3.46Å; P15-Y19 VanDerWaalsContact CB-CD2 3.46Å; P15-Y19 HydrophobicContact CB-CE2 3.94Å; P15-Y19 HydrophobicContact CB-CG 3.89Å; P15-Y19 HydrophobicContact CG-CD2 4.35Å; P15-Y19 HydrophobicContact CG-CG 4.37Å; S16-Y19 PolarHBondContact O-N 3.02Å; Y19-G21 WeakPolarHBondContact OH-CA 3.38Å; Y19-I136 HydrophobicContact CD1-CG2 4.45Å; Y19-I136 HydrophobicContact CE1-CG2 3.85Å; Y19-Q137 CarbonylContact O-C 3.52Å; Y19-Q137 VanDerWaalsContact O-CA 3.24Å; Y19-Q137 WeakPolarHBondContact O-CA 3.28Å; Y19-V138 HydrophobicContact CD1-CG2 4.39Å; Y19-V138 PolarHBondContact N-O 3.13Å; Y19-V138 PolarHBondContact O-N 2.88Å; Y19-I147 HydrophobicContact CD1-CD1 3.56Å; Y19-I147 HydrophobicContact CE1-CD1 3.58Å; Y19-I147 HydrophobicContact CG-CD1 4.44Å |
| 20 | L | 97.4 | Very high | 92 | Very high | 75 Ų | 75 | 69 Ų | 69 | 39% | 0.393 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 118.8 | 167.9 | 173.6 | 62 | 0 | 0 | 0 | 107.3 | L51 D56 A135 I136 Q137 | L20-L51 HydrophobicContact CD1-CD1 3.62Å; L20-D56 HydrophobicContact CD2-CB 4.46Å; L20-A135 HydrophobicContact CD1-CB 3.98Å; L20-I136 WeakPolarHBondContact CA-O 3.24Å; L20-Q137 HydrophobicContact CD1-CB 4.09Å |
| 21 | G | 94.1 | Very high | 92.7 | Very high | 2 Ų | 2 | 60.7 Ų | 60.7 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 137.7 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y19 A135 I136 | Y19-G21 WeakPolarHBondContact OH-CA 3.38Å; G21-A135 CarbonylContact O-C 3.32Å; G21-A135 VanDerWaalsContact O-CA 3.24Å; G21-A135 WeakPolarHBondContact O-CA 3.32Å; G21-A135 VanDerWaalsContact O-CB 3.32Å; G21-A135 WeakPolarHBondContact O-CB 3.32Å; G21-I136 PolarHBondContact N-O 2.91Å; G21-I136 PolarHBondContact O-N 2.86Å |
| 22 | P | 92.6 | Very high | 93 | Very high | 47 Ų | 47 | 59.8 Ų | 59.8 | 31% | 0.305 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 150.4 | 175.4 | 31 | -35.1 | 0 | 0 | 0 | 111.1 | Y24 R134 | P22-Y24 HydrophobicContact CB-CE1 4.18Å; P22-Y24 HydrophobicContact CG-CD2 4.48Å; P22-Y24 HydrophobicContact CG-CE1 3.89Å; P22-Y24 HydrophobicContact CG-CE2 3.77Å; P22-Y24 VanDerWaalsContact CG-CZ 3.43Å; P22-Y24 WeakPolarHBondContact CG-OH 3.31Å; P22-R134 CarbonylContact C-O 3.28Å |
| 23 | I | 90.9 | Very high | 93.1 | Very high | 3 Ų | 3 | 57.6 Ų | 57.6 | 2% | 0.015 | 32% | 0.323 | C | S | . | . | trans | -106.2 | 86.5 | 168.6 | -54 | 178.4 | 0 | 0 | 0 | 106 | Y9 G25 G26 V27 I133 R134 I136 I149 | Y9-I23 HydrophobicContact CE1-CG2 4.08Å; I23-G25 PolarHBondContact O-N 2.8Å; I23-G26 PolarHBondContact O-N 2.68Å; I23-V27 HydrophobicContact CD1-CG1 4.16Å; I23-V27 HydrophobicContact CG2-CG1 3.74Å; I23-I133 HydrophobicContact CD1-CG2 3.95Å; I23-R134 PolarHBondContact N-O 3.31Å; I23-I136 HydrophobicContact CD1-CB 4.43Å; I23-I149 HydrophobicContact CB-CD1 4.03Å; I23-I149 HydrophobicContact CD1-CD1 3.94Å; I23-I149 HydrophobicContact CG1-CD1 3.54Å; I23-I149 HydrophobicContact CG2-CD1 3.61Å; I23-I149 HydrophobicContact CG2-CG2 4.41Å | ||
| 24 | Y | 82.9 | Confident | 93.2 | Very high | 160 Ų | 160 | 54.3 Ų | 54.3 | 63% | 0.627 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | 137.7 | 179.5 | -63.6 | -66.4 | 0 | 0 | 0 | 110.6 | Y9 P22 G26 | Y9-Y24 WeakPolarHBondContact CE1-O 3.49Å; Y9-Y24 PolarHBondContact OH-O 2.85Å; P22-Y24 HydrophobicContact CB-CE1 4.18Å; P22-Y24 HydrophobicContact CG-CD2 4.48Å; P22-Y24 HydrophobicContact CG-CE1 3.89Å; P22-Y24 HydrophobicContact CG-CE2 3.77Å; P22-Y24 VanDerWaalsContact CG-CZ 3.43Å; P22-Y24 WeakPolarHBondContact CG-OH 3.31Å; Y24-G26 PolarHBondContact O-N 2.84Å; Y24-G26 VanDerWaalsContact O-N 3.12Å |
| 25 | G | 81.2 | Confident | 93.3 | Very high | 60 Ų | 60 | 48.6 Ų | 48.6 | 62% | 0.619 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | -6.4 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | I23 | I23-G25 PolarHBondContact O-N 2.8Š|
| 26 | G | 86.1 | Confident | 93.3 | Very high | 2 Ų | 2 | 52.2 Ų | 52.2 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | trans | 69.4 | -176.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | Y9 I23 Y24 A152 A153 | Y9-G26 PolarHBondContact OH-O 3.36Å; I23-G26 PolarHBondContact O-N 2.68Å; Y24-G26 PolarHBondContact O-N 2.84Å; Y24-G26 VanDerWaalsContact O-N 3.12Å; G26-A152 WeakPolarHBondContact O-CB 3.43Å; G26-A153 PolarHBondContact O-N 3.01Å | ||
| 27 | V | 89.6 | Confident | 93.4 | Very high | 11 Ų | 11 | 47.5 Ų | 47.5 | 7% | 0.067 | 26% | 0.263 | C | S | . | . | trans | -115.1 | 158.8 | 179.9 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | I23 A31 I107 V130 I133 A152 | I23-V27 HydrophobicContact CD1-CG1 4.16Å; I23-V27 HydrophobicContact CG2-CG1 3.74Å; V27-A31 HydrophobicContact CB-CB 4.42Å; V27-I107 HydrophobicContact CB-CD1 3.53Å; V27-I107 HydrophobicContact CG1-CD1 3.93Å; V27-I107 HydrophobicContact CG2-CD1 3.56Å; V27-V130 WeakPolarHBondContact CG2-O 3.21Å; V27-I133 HydrophobicContact CG1-CG2 4.4Å; V27-I133 HydrophobicContact CG2-CB 3.64Å; V27-I133 HydrophobicContact CG2-CD1 3.97Å; V27-I133 HydrophobicContact CG2-CG1 4.37Å; V27-I133 HydrophobicContact CG2-CG2 3.91Å; V27-A152 HydrophobicContact CG1-CB 4.5Å | ||
| 28 | R | 90.1 | Very high | 93.4 | Very high | 121 Ų | 121 | 46.7 Ų | 46.7 | 46% | 0.457 | 26% | 0.261 | S | S | . | . | trans | -138.7 | 166.9 | 173.2 | 65.3 | 175.3 | -172.5 | -75.8 | -1.2 | 110.3 | G30 A31 G151 A152 A153 | R28-G30 PolarHBondContact O-N 3.19Å; R28-A31 WeakPolarHBondContact O-CB 3.42Å; R28-A31 PolarHBondContact O-N 3.35Å; R28-G151 PolarHBondContact NH1-O 3.18Å; R28-G151 PolarHBondContact NH2-O 2.92Å; R28-A152 PolarHBondContact NH1-O 2.75Å; R28-A153 VanDerWaalsContact NH1-N 3.15Å | ||
| 29 | V | 93.9 | Very high | 93.5 | Very high | 70 Ų | 70 | 42 Ų | 42 | 42% | 0.424 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | 133.1 | 167.8 | 175.7 | 0 | 0 | 0 | 0 | 110 | I107 V130 | V29-I107 CarbonylContact C-O 3.52Å; V29-I107 WeakPolarHBondContact CA-O 3.31Å; V29-V130 HydrophobicContact CG2-CG2 4.46Å |
| 30 | G | 91.9 | Very high | 93.4 | Very high | 59 Ų | 59 | 41.8 Ų | 41.8 | 61% | 0.608 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 96.1 | -16.5 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | R28 I107 | R28-G30 PolarHBondContact O-N 3.19Å; G30-I107 PolarHBondContact N-O 2.87Å |
| 31 | A | 93.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | trans | -72.1 | 157.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | V27 R28 I107 I150 G151 A152 | V27-A31 HydrophobicContact CB-CB 4.42Å; R28-A31 WeakPolarHBondContact O-CB 3.42Å; R28-A31 PolarHBondContact O-N 3.35Å; A31-I107 HydrophobicContact CB-CD1 4.26Å; A31-I107 PolarHBondContact O-N 2.82Å; A31-I150 CarbonylContact C-O 3.58Å; A31-I150 VanDerWaalsContact CA-O 3.28Å; A31-I150 WeakPolarHBondContact CA-O 3.43Å; A31-G151 WeakPolarHBondContact CB-O 3.17Å; A31-A152 HydrophobicContact CB-CB 4.35Å | ||
| 32 | S | 94.8 | Very high | 93.5 | Very high | 14 Ų | 14 | 51 Ų | 51 | 10% | 0.098 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.9 | 139.3 | 179.1 | -65.2 | 0 | 0 | 0 | 0 | 111.2 | I105 M106 I149 I150 | S32-I105 CarbonylContact C-O 3.55Å; S32-I105 WeakPolarHBondContact CA-O 3.19Å; S32-M106 WeakPolarHBondContact OG-CG 3.48Å; S32-I149 WeakPolarHBondContact O-CA 3.41Å; S32-I150 PolarHBondContact N-O 2.99Å; S32-I150 PolarHBondContact O-N 3.21Å |
| 33 | V | 96.2 | Very high | 93.8 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 122.4 | 170.5 | -174.9 | 0 | 0 | 0 | 0 | 107.8 | I35 L50 V104 I105 I136 I147 | V33-I35 HydrophobicContact CG1-CD1 4.02Å; V33-I35 HydrophobicContact CG1-CG1 4Å; V33-L50 HydrophobicContact CG2-CD2 4.31Å; V33-V104 WeakPolarHBondContact O-CA 3.31Å; V33-I105 HydrophobicContact CB-CB 4.3Å; V33-I105 PolarHBondContact N-O 2.87Å; V33-I105 PolarHBondContact O-N 3.28Å; V33-I136 HydrophobicContact CG1-CD1 3.85Å; V33-I147 HydrophobicContact CG1-CG2 4.48Å |
| 34 | Y | 97.1 | Very high | 94.1 | Very high | 83 Ų | 83 | 52.2 Ų | 52.2 | 33% | 0.325 | 29% | 0.286 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 127.2 | 178.1 | -73.3 | -96.1 | 0 | 0 | 0 | 109.2 | V104 I147 N148 I150 | Y34-V104 HydrophobicContact CD1-CB 4.32Å; Y34-V104 HydrophobicContact CD1-CG1 3.97Å; Y34-V104 HydrophobicContact CD1-CG2 3.55Å; Y34-V104 HydrophobicContact CD2-CG1 4.47Å; Y34-V104 HydrophobicContact CE1-CB 4.18Å; Y34-V104 HydrophobicContact CE1-CG1 3.58Å; Y34-V104 HydrophobicContact CE1-CG2 3.49Å; Y34-V104 VanDerWaalsContact CE1-CG2 3.49Å; Y34-V104 HydrophobicContact CE2-CG1 4.13Å; Y34-V104 HydrophobicContact CG-CG1 4.39Å; Y34-V104 HydrophobicContact CG-CG2 4.5Å; Y34-I147 CarbonylContact O-C 3.54Å; Y34-I147 WeakPolarHBondContact O-CA 3.32Å; Y34-N148 PolarHBondContact N-O 3.08Å; Y34-N148 PolarHBondContact O-N 2.96Å; Y34-I150 HydrophobicContact CD2-CB 4.3Å; Y34-I150 HydrophobicContact CD2-CD1 3.56Å; Y34-I150 HydrophobicContact CD2-CG1 3.79Å; Y34-I150 HydrophobicContact CE2-CB 4.07Å; Y34-I150 HydrophobicContact CE2-CD1 3.48Å; Y34-I150 VanDerWaalsContact CE2-CD1 3.48Å; Y34-I150 HydrophobicContact CE2-CG1 3.92Å; Y34-I150 HydrophobicContact CG-CD1 4.35Å |
| 35 | I | 98.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 124.7 | -177.5 | -58.8 | 170.9 | 0 | 0 | 0 | 108.4 | V33 I48 F101 L103 I136 I144 T146 I147 | V33-I35 HydrophobicContact CG1-CD1 4.02Å; V33-I35 HydrophobicContact CG1-CG1 4Å; I35-I48 HydrophobicContact CD1-CD1 3.71Å; I35-I48 HydrophobicContact CD1-CG1 4.38Å; I35-I48 HydrophobicContact CD1-CG2 3.95Å; I35-F101 HydrophobicContact CG2-CE2 4.15Å; I35-L103 HydrophobicContact CB-CB 4.34Å; I35-L103 HydrophobicContact CD1-CD2 4.28Å; I35-L103 PolarHBondContact N-O 3Å; I35-L103 PolarHBondContact O-N 3.22Å; I35-I136 HydrophobicContact CD1-CD1 3.94Å; I35-I144 HydrophobicContact CG2-CD1 3.71Å; I35-I144 HydrophobicContact CG2-CG2 4.34Å; I35-T146 WeakPolarHBondContact CA-O 3.44Å; I35-I147 HydrophobicContact CG1-CG1 4.49Å; I35-I147 HydrophobicContact CG1-CG2 4.4Å |
| 36 | Q | 98.7 | Very high | 95.7 | Very high | 95 Ų | 95 | 46.3 Ų | 46.3 | 44% | 0.444 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 128.4 | 169 | -69.8 | -178.3 | -23 | 0 | 0 | 108.2 | F101 Q145 T146 | Q36-F101 WeakPolarHBondContact CA-O 3.48Å; Q36-Q145 PolarHBondContact O-N 3.39Å; Q36-Q145 PolarHBondContact O-OE1 3.3Å; Q36-T146 PolarHBondContact N-O 3.05Å; Q36-T146 PolarHBondContact O-N 2.81Å; Q36-T146 VanDerWaalsContact O-N 3.17Å |
| 37 | G | 98.5 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 178.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A100 F101 S143 Q145 | G37-A100 CarbonylContact O-C 3.45Å; G37-A100 WeakPolarHBondContact O-CA 3.42Å; G37-F101 VanDerWaalsContact C-CE1 3.46Å; G37-F101 PolarHBondContact N-O 2.93Å; G37-F101 PolarHBondContact O-N 3.28Å; G37-S143 CarbonylContact C-O 3.51Å; G37-S143 WeakPolarHBondContact CA-O 3.35Å; G37-Q145 PolarHBondContact O-OE1 3.37Å |
| 38 | S | 98.5 | Very high | 96.7 | Very high | 35 Ų | 35 | 50 Ų | 50 | 25% | 0.245 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 148.9 | 163.4 | 59.5 | 0 | 0 | 0 | 0 | 111 | E99 S143 Q145 | S38-E99 WeakPolarHBondContact CA-O 3.28Å; S38-S143 PolarHBondContact N-O 3.4Å; S38-S143 PolarHBondContact O-N 3.38Å; S38-Q145 PolarHBondContact OG-NE2 2.97Å |
| 39 | V | 98.4 | Very high | 97.1 | Very high | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | trans | -94.2 | 121.4 | 176.6 | 176 | 0 | 0 | 0 | 0 | 108.8 | I43 F46 F68 F95 S96 G98 E99 F101 | V39-I43 HydrophobicContact CG1-CB 3.91Å; V39-I43 HydrophobicContact CG1-CD1 3.54Å; V39-I43 HydrophobicContact CG1-CG1 4.31Å; V39-I43 HydrophobicContact CG1-CG2 3.6Å; V39-F46 HydrophobicContact CG2-CE1 3.98Å; V39-F68 HydrophobicContact CG1-CE2 4.35Å; V39-F68 HydrophobicContact CG1-CZ 4.36Å; V39-F95 HydrophobicContact CG2-CB 4.14Å; V39-F95 HydrophobicContact CG2-CD1 4.39Å; V39-S96 WeakPolarHBondContact CB-O 2.71Å; V39-G98 CarbonylContact O-C 3.56Å; V39-G98 WeakPolarHBondContact O-CA 3.35Å; V39-G98 PolarHBondContact O-N 2.74Å; V39-E99 PolarHBondContact N-O 2.67Å; V39-F101 HydrophobicContact CG2-CD1 3.85Å; V39-F101 HydrophobicContact CG2-CE1 4.01Å | ||
| 40 | P | 97.8 | Very high | 97.4 | Very high | 38 Ų | 38 | 41.3 Ų | 41.3 | 25% | 0.247 | 22% | 0.216 | C | C | . | . | trans | -60.7 | 150.7 | 174.5 | -22.3 | 33.4 | 0 | 0 | 0 | 112.4 | N42 I43 D141 | P40-N42 VanDerWaalsContact C-N 3.26Å; P40-N42 WeakPolarHBondContact CB-OD1 3.23Å; P40-N42 PolarHBondContact O-N 2.86Å; P40-I43 WeakPolarHBondContact O-CB 3.43Å; P40-I43 VanDerWaalsContact O-CG2 3.31Å; P40-I43 WeakPolarHBondContact O-CG2 3.37Å; P40-I43 PolarHBondContact O-N 2.82Å; P40-D141 VanDerWaalsContact CD-O 3.31Å; P40-D141 WeakPolarHBondContact CD-O 3.47Å; P40-D141 HydrophobicContact CG-CB 4.48Å | ||
| 41 | E | 97.4 | Very high | 97.7 | Very high | 132 Ų | 132 | 38.5 Ų | 38.5 | 62% | 0.617 | 19% | 0.187 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -37.4 | 178.4 | -166.5 | 61.8 | -155.8 | 0 | 0 | 112.3 | I43 G98 | E41-I43 VanDerWaalsContact C-N 3.31Å; E41-I43 PolarHBondContact O-N 2.84Å; E41-G98 VanDerWaalsContact OE2-CA 3.31Å; E41-G98 WeakPolarHBondContact OE2-CA 3.46Å; E41-G98 PolarHBondContact OE2-N 3.43Å |
| 42 | N | 95.9 | Very high | 97.9 | Very high | 139 Ų | 139 | 39.6 Ų | 39.6 | 74% | 0.743 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.1 | 25.5 | -178.1 | 65.4 | -27.6 | 0 | 0 | 0 | 113.7 | P40 | P40-N42 VanDerWaalsContact C-N 3.26Å; P40-N42 WeakPolarHBondContact CB-OD1 3.23Å; P40-N42 PolarHBondContact O-N 2.86Å |
| 43 | I | 97.8 | Very high | 97.9 | Very high | 8 Ų | 8 | 39.6 Ų | 39.6 | 4% | 0.041 | 20% | 0.197 | C | C | . | . | trans | -59.4 | 136.8 | 179.6 | 178.4 | 162.4 | 0 | 0 | 0 | 112.9 | V39 P40 E41 F46 F68 K97 D141 | V39-I43 HydrophobicContact CG1-CB 3.91Å; V39-I43 HydrophobicContact CG1-CD1 3.54Å; V39-I43 HydrophobicContact CG1-CG1 4.31Å; V39-I43 HydrophobicContact CG1-CG2 3.6Å; P40-I43 WeakPolarHBondContact O-CB 3.43Å; P40-I43 VanDerWaalsContact O-CG2 3.31Å; P40-I43 WeakPolarHBondContact O-CG2 3.37Å; P40-I43 PolarHBondContact O-N 2.82Å; E41-I43 VanDerWaalsContact C-N 3.31Å; E41-I43 PolarHBondContact O-N 2.84Å; I43-F46 HydrophobicContact CD1-CD1 3.57Å; I43-F46 HydrophobicContact CD1-CE1 4.18Å; I43-F68 HydrophobicContact CB-CD2 4.35Å; I43-F68 HydrophobicContact CD1-CD2 3.43Å; I43-F68 VanDerWaalsContact CD1-CD2 3.43Å; I43-F68 HydrophobicContact CD1-CE2 3.39Å; I43-F68 HydrophobicContact CD1-CZ 4.47Å; I43-F68 HydrophobicContact CG1-CD2 3.61Å; I43-F68 HydrophobicContact CG1-CE2 4.08Å; I43-F68 HydrophobicContact CG1-CG 4.38Å; I43-F68 HydrophobicContact CG2-CB 4.28Å; I43-F68 HydrophobicContact CG2-CD1 4.31Å; I43-F68 HydrophobicContact CG2-CD2 3.75Å; I43-F68 HydrophobicContact CG2-CE2 4.08Å; I43-F68 HydrophobicContact CG2-CG 3.85Å; I43-F68 HydrophobicContact CG2-CZ 4.45Å; I43-K97 HydrophobicContact CG2-CD 4.08Å; I43-K97 HydrophobicContact CG2-CG 3.76Å; I43-D141 HydrophobicContact CB-CB 4.29Å; I43-D141 WeakPolarHBondContact CD1-O 3.49Å; I43-D141 HydrophobicContact CG1-CB 4.03Å | ||
| 44 | T | 98.1 | Very high | 97.7 | Very high | 67 Ų | 67 | 45.7 Ų | 45.7 | 41% | 0.411 | 23% | 0.226 | S | C | . | . | trans | -98.5 | -54.6 | 159.2 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | F68 D69 D141 | T44-F68 WeakPolarHBondContact O-CA 3.41Å; T44-F68 PolarHBondContact O-N 2.81Å; T44-D69 HydrophobicContact CG2-CB 4Å; T44-D69 PolarHBondContact O-N 2.86Å; T44-D141 WeakPolarHBondContact CA-OD2 3.44Å; T44-D141 WeakPolarHBondContact CB-OD2 3.49Å; T44-D141 PolarHBondContact N-OD2 2.88Å | ||
| 45 | R | 98.4 | Very high | 97.6 | Very high | 96 Ų | 96 | 44 Ų | 44 | 36% | 0.362 | 23% | 0.226 | S | C | . | . | B | Isolated β-bridge | trans | -166 | 153 | 179.4 | 68.5 | -169.2 | 87 | -167 | -1.5 | 111.9 | P66 R67 D69 G140 D141 | R45-P66 WeakPolarHBondContact CA-O 3.27Å; R45-P66 WeakPolarHBondContact CB-O 3.47Å; R45-R67 HydrophobicContact CB-CG 4.14Å; R45-D69 IonicContact CZ-OD2 3.26Å; R45-D69 VanDerWaalsContact CZ-OD2 3.26Å; R45-D69 IonicContact NH1-OD2 3.7Å; R45-D69 IonicContact NH2-OD1 2.75Å; R45-D69 IonicContact NH2-OD2 2.67Å; R45-D69 PolarHBondContact NH2-OD2 2.91Å; R45-G140 WeakPolarHBondContact O-CA 3.48Å; R45-D141 PolarHBondContact N-OD2 2.82Å; R45-D141 PolarHBondContact O-N 3.44Å |
| 46 | F | 98.8 | Very high | 97.2 | Very high | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 162.4 | 164 | 72.9 | -92.5 | 0 | 0 | 0 | 111 | V39 I43 I48 F64 N65 P66 F95 F101 S139 V142 | V39-F46 HydrophobicContact CG2-CE1 3.98Å; I43-F46 HydrophobicContact CD1-CD1 3.57Å; I43-F46 HydrophobicContact CD1-CE1 4.18Å; F46-I48 HydrophobicContact CD2-CD1 4.5Å; F46-I48 HydrophobicContact CD2-CG1 4.45Å; F46-I48 HydrophobicContact CE2-CD1 4.03Å; F46-I48 HydrophobicContact CE2-CG1 4.45Å; F46-F64 HydrophobicContact CE2-CE1 4.35Å; F46-N65 WeakPolarHBondContact O-CA 3.42Å; F46-N65 PolarHBondContact O-ND2 3.39Å; F46-P66 HydrophobicContact CD1-CB 4.26Å; F46-P66 HydrophobicContact CD1-CG 4.48Å; F46-P66 HydrophobicContact CE1-CB 3.78Å; F46-P66 HydrophobicContact CE1-CG 3.83Å; F46-P66 HydrophobicContact CE2-CG 3.87Å; F46-P66 HydrophobicContact CZ-CB 4Å; F46-P66 HydrophobicContact CZ-CG 3.5Å; F46-P66 VanDerWaalsContact CZ-CG 3.5Å; F46-P66 PolarHBondContact N-O 3.04Å; F46-P66 VanDerWaalsContact O-CD 3.3Å; F46-P66 WeakPolarHBondContact O-CD 3.42Å; F46-F95 HydrophobicContact CZ-CD1 4.33Å; F46-F95 HydrophobicContact CZ-CD2 4.32Å; F46-F95 HydrophobicContact CZ-CE1 4.11Å; F46-F95 HydrophobicContact CZ-CE2 4.11Å; F46-F95 HydrophobicContact CZ-CG 4.44Å; F46-F95 HydrophobicContact CZ-CZ 4Å; F46-F101 HydrophobicContact CZ-CZ 4.4Å; F46-S139 CarbonylContact C-O 3.52Å; F46-S139 WeakPolarHBondContact CA-O 3.37Å; F46-V142 HydrophobicContact CB-CB 3.72Å; F46-V142 HydrophobicContact CB-CG1 3.83Å; F46-V142 HydrophobicContact CD1-CB 4.22Å; F46-V142 HydrophobicContact CD1-CG2 4.45Å; F46-V142 HydrophobicContact CD2-CB 4.22Å; F46-V142 HydrophobicContact CD2-CG1 4.34Å; F46-V142 HydrophobicContact CD2-CG2 4.3Å; F46-V142 HydrophobicContact CG-CB 3.82Å; F46-V142 HydrophobicContact CG-CG1 4.21Å; F46-V142 HydrophobicContact CG-CG2 4.24Å |
| 47 | R | 98.7 | Very high | 96.9 | Very high | 90 Ų | 90 | 48.3 Ų | 48.3 | 34% | 0.34 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 145 | 179.3 | 65.3 | -173 | -178.4 | -87.2 | 2.4 | 111.7 | F64 N65 V138 S139 | R47-F64 CarbonylContact C-O 3.51Å; R47-F64 VanDerWaalsContact CA-O 3.25Å; R47-F64 WeakPolarHBondContact CA-O 3.31Å; R47-N65 HydrophobicContact CB-CB 4.14Å; R47-V138 WeakPolarHBondContact O-CA 3.32Å; R47-S139 PolarHBondContact N-O 3.24Å; R47-S139 VanDerWaalsContact NH2-CB 3.33Å; R47-S139 PolarHBondContact O-N 3.48Å |
| 48 | I | 98.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 123 | 169.9 | -62.5 | 161.4 | 0 | 0 | 0 | 106.6 | I35 F46 F64 L103 I105 I136 Q137 V138 | I35-I48 HydrophobicContact CD1-CD1 3.71Å; I35-I48 HydrophobicContact CD1-CG1 4.38Å; I35-I48 HydrophobicContact CD1-CG2 3.95Å; F46-I48 HydrophobicContact CD2-CD1 4.5Å; F46-I48 HydrophobicContact CD2-CG1 4.45Å; F46-I48 HydrophobicContact CE2-CD1 4.03Å; F46-I48 HydrophobicContact CE2-CG1 4.45Å; I48-F64 HydrophobicContact CB-CB 4.46Å; I48-F64 HydrophobicContact CB-CD1 4.5Å; I48-F64 HydrophobicContact CD1-CD1 4.31Å; I48-F64 PolarHBondContact N-O 2.84Å; I48-F64 PolarHBondContact O-N 2.81Å; I48-L103 HydrophobicContact CD1-CD2 3.36Å; I48-I105 HydrophobicContact CG2-CD1 4.33Å; I48-I136 HydrophobicContact CG2-CD1 4.05Å; I48-I136 HydrophobicContact CG2-CG1 4.2Å; I48-Q137 CarbonylContact C-O 3.59Å; I48-Q137 WeakPolarHBondContact CA-O 3.41Å; I48-V138 HydrophobicContact CG1-CG1 4.13Å; I48-V138 HydrophobicContact CG1-CG2 4.21Å |
| 49 | N | 98.8 | Very high | 96.9 | Very high | 6 Ų | 6 | 49.2 Ų | 49.2 | 3% | 0.032 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 135.7 | -179.6 | -67.2 | -21 | 0 | 0 | 0 | 110 | L51 V60 L62 H63 I136 Q137 | N49-L51 HydrophobicContact CB-CD2 3.82Å; N49-L51 HydrophobicContact CB-CG 4.45Å; N49-V60 HydrophobicContact CB-CG1 4Å; N49-L62 CarbonylContact C-O 3.42Å; N49-L62 VanDerWaalsContact CA-O 3.25Å; N49-L62 WeakPolarHBondContact CA-O 3.46Å; N49-H63 PolarHBondContact OD1-ND1 2.78Å; N49-I136 WeakPolarHBondContact O-CA 3.34Å; N49-Q137 HydrophobicContact CB-CB 4.19Å; N49-Q137 PolarHBondContact N-O 2.91Å; N49-Q137 PolarHBondContact ND2-OE1 2.93Å; N49-Q137 PolarHBondContact O-N 2.87Å |
| 50 | L | 98.4 | Very high | 96.9 | Very high | 2 Ų | 2 | 49.2 Ų | 49.2 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 113.4 | 162.4 | -59 | -177.5 | 0 | 0 | 0 | 108.2 | V33 A61 L62 I105 F112 I133 I136 | V33-L50 HydrophobicContact CG2-CD2 4.31Å; L50-A61 PolarHBondContact O-N 3.46Å; L50-L62 HydrophobicContact CB-CB 4.18Å; L50-L62 HydrophobicContact CD1-CB 4.17Å; L50-L62 HydrophobicContact CD1-CD2 3.94Å; L50-L62 HydrophobicContact CG-CB 4.21Å; L50-L62 HydrophobicContact CG-CD2 4.29Å; L50-L62 PolarHBondContact N-O 2.78Å; L50-I105 HydrophobicContact CD1-CG2 4.48Å; L50-F112 HydrophobicContact CD1-CD1 4Å; L50-F112 HydrophobicContact CD1-CE1 3.73Å; L50-I133 HydrophobicContact CB-CD1 4.21Å; L50-I133 HydrophobicContact CB-CG1 4.43Å; L50-I133 HydrophobicContact CB-CG2 4.04Å; L50-I133 HydrophobicContact CD1-CD1 4.29Å; L50-I136 HydrophobicContact CD2-CB 4.47Å; L50-I136 HydrophobicContact CD2-CG1 4.32Å |
| 51 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 137.8 | -171.2 | -56.8 | -178.5 | 0 | 0 | 0 | 111.5 | L20 N49 G53 D59 V60 I133 R134 A135 Q137 | L20-L51 HydrophobicContact CD1-CD1 3.62Å; N49-L51 HydrophobicContact CB-CD2 3.82Å; N49-L51 HydrophobicContact CB-CG 4.45Å; L51-G53 WeakPolarHBondContact CB-O 3.04Å; L51-G53 PolarHBondContact O-N 3.1Å; L51-D59 CarbonylContact C-O 3.58Å; L51-D59 WeakPolarHBondContact CA-O 3.49Å; L51-V60 HydrophobicContact CD2-CB 4.49Å; L51-V60 HydrophobicContact CD2-CG2 3.74Å; L51-I133 CarbonylContact O-C 3.51Å; L51-I133 VanDerWaalsContact O-CA 3.26Å; L51-I133 WeakPolarHBondContact O-CA 3.38Å; L51-R134 PolarHBondContact O-N 2.93Å; L51-A135 HydrophobicContact CB-CB 4.23Å; L51-A135 HydrophobicContact CD1-CB 4.31Å; L51-A135 PolarHBondContact N-O 3.5Å; L51-A135 PolarHBondContact O-N 2.92Å; L51-Q137 HydrophobicContact CD1-CB 3.9Å; L51-Q137 HydrophobicContact CG-CB 4.32Å |
| 52 | C | 97.3 | Very high | 97 | Very high | 24 Ų | 24 | 41.1 Ų | 41.1 | 16% | 0.162 | 22% | 0.222 | C | C | . | . | S | Bend | trans | -80.8 | 41.5 | 174.3 | -66.4 | 0 | 0 | 0 | 0 | 112.6 | D59 Q132 | C52-D59 HydrophobicContact CB-CB 3.95Å; C52-D59 PolarHBondContact N-O 3.42Å; C52-Q132 CarbonylContact C-O 3.58Å; C52-Q132 VanDerWaalsContact C-O 3.28Å; C52-Q132 WeakPolarHBondContact CA-O 3.26Å; C52-Q132 HydrophobicContact CB-CB 3.89Å |
| 53 | G | 95.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 35 Ų | 35 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | S | Bend | trans | 163.1 | 176.7 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.1 | L51 S58 A135 | L51-G53 WeakPolarHBondContact CB-O 3.04Å; L51-G53 PolarHBondContact O-N 3.1Å; G53-S58 WeakPolarHBondContact CA-OG 3.36Å; G53-A135 VanDerWaalsContact O-CB 3.29Å; G53-A135 WeakPolarHBondContact O-CB 3.48Å |
| 54 | E | 92.9 | Very high | 97.2 | Very high | 128 Ų | 128 | 34.7 Ų | 34.7 | 60% | 0.598 | 19% | 0.187 | S | C | * | . | S | Bend | trans | -99.5 | -2.7 | -176.2 | -63.9 | -178.2 | -163.5 | 0 | 0 | 113.4 | R134 | E54-R134 HydrophobicContact CG-CB 3.98Š|
| 55 | S | 93.7 | Very high | 97.2 | Very high | 48 Ų | 48 | 31.9 Ų | 31.9 | 34% | 0.336 | 17% | 0.169 | S | C | . | . | S | Bend | trans | -93.9 | 147.3 | 175 | 167.6 | 0 | 0 | 0 | 0 | 110.9 | S57 S58 | S55-S57 PolarHBondContact O-N 3.03Å; S55-S57 PolarHBondContact OG-N 3.33Å; S55-S57 VanDerWaalsContact OG-N 3.11Å; S55-S57 PolarHBondContact OG-OG 2.88Å; S55-S58 PolarHBondContact N-OG 2.85Å; S55-S58 WeakPolarHBondContact O-CB 3.18Å; S55-S58 PolarHBondContact O-N 3.28Å; S55-S58 PolarHBondContact O-OG 3.08Å; S55-S58 VanDerWaalsContact O-OG 3.08Å |
| 56 | D | 90.4 | Very high | 97.2 | Very high | 99 Ų | 99 | 27.3 Ų | 27.3 | 53% | 0.529 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | -25.2 | 168.1 | 62.1 | -18.6 | 0 | 0 | 0 | 114.5 | L20 R79 | L20-D56 HydrophobicContact CD2-CB 4.46Å; D56-R79 PolarHBondContact O-NH2 3.34Å |
| 57 | S | 93.6 | Very high | 97.2 | Very high | 85 Ų | 85 | 29.2 Ų | 29.2 | 59% | 0.594 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13.3 | 175.2 | 70.1 | 0 | 0 | 0 | 0 | 113.7 | S55 R79 | S55-S57 PolarHBondContact O-N 3.03Å; S55-S57 PolarHBondContact OG-N 3.33Å; S55-S57 VanDerWaalsContact OG-N 3.11Å; S55-S57 PolarHBondContact OG-OG 2.88Å; S57-R79 PolarHBondContact O-NH2 2.9Å |
| 58 | S | 97.4 | Very high | 97.2 | Very high | 25 Ų | 25 | 25.8 Ų | 25.8 | 18% | 0.175 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -60.4 | 155.8 | -179.3 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | G53 S55 R79 | G53-S58 WeakPolarHBondContact CA-OG 3.36Å; S55-S58 PolarHBondContact N-OG 2.85Å; S55-S58 WeakPolarHBondContact O-CB 3.18Å; S55-S58 PolarHBondContact O-N 3.28Å; S55-S58 PolarHBondContact O-OG 3.08Å; S55-S58 VanDerWaalsContact O-OG 3.08Å; S58-R79 PolarHBondContact O-NH2 2.84Å |
| 59 | D | 98.4 | Very high | 96.9 | Very high | 30 Ų | 30 | 28.2 Ų | 28.2 | 16% | 0.16 | 16% | 0.16 | C | C | . | . | trans | -56 | 153.5 | 174.8 | -80.3 | -9 | 0 | 0 | 0 | 111.9 | L51 C52 R79 K80 D81 L128 | L51-D59 CarbonylContact C-O 3.58Å; L51-D59 WeakPolarHBondContact CA-O 3.49Å; C52-D59 HydrophobicContact CB-CB 3.95Å; C52-D59 PolarHBondContact N-O 3.42Å; D59-R79 CarbonylContact C-O 3.59Å; D59-R79 WeakPolarHBondContact CA-O 3.42Å; D59-R79 VanDerWaalsContact CB-O 3.28Å; D59-R79 WeakPolarHBondContact CB-O 3.18Å; D59-K80 WeakPolarHBondContact OD1-CA 3.43Å; D59-K80 WeakPolarHBondContact OD2-CA 3.49Å; D59-D81 VanDerWaalsContact CG-N 3.35Å; D59-D81 PolarHBondContact OD1-N 3.49Å; D59-D81 PolarHBondContact OD2-N 2.85Å; D59-L128 HydrophobicContact CB-CD1 4.07Å | ||
| 60 | V | 98.8 | Very high | 96.5 | Very high | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.006 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 107.3 | -174.7 | -175.7 | 0 | 0 | 0 | 0 | 108 | N49 L51 L62 H63 S78 R79 W84 | N49-V60 HydrophobicContact CB-CG1 4Å; L51-V60 HydrophobicContact CD2-CB 4.49Å; L51-V60 HydrophobicContact CD2-CG2 3.74Å; V60-L62 VanDerWaalsContact CG1-C 3.43Å; V60-L62 VanDerWaalsContact CG1-O 3.25Å; V60-L62 WeakPolarHBondContact CG1-O 3.31Å; V60-H63 HydrophobicContact CG1-CB 3.93Å; V60-S78 CarbonylContact O-C 3.58Å; V60-S78 WeakPolarHBondContact O-CA 3.39Å; V60-S78 VanDerWaalsContact O-CB 3.26Å; V60-S78 WeakPolarHBondContact O-CB 3.48Å; V60-R79 HydrophobicContact CB-CB 3.8Å; V60-R79 HydrophobicContact CG2-CB 3.86Å; V60-R79 PolarHBondContact N-O 2.79Å; V60-R79 PolarHBondContact O-N 3.35Å; V60-W84 HydrophobicContact CG2-CH2 4.36Å |
| 61 | A | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.008 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | -44.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L50 S78 F112 L128 I133 | L50-A61 PolarHBondContact O-N 3.46Å; A61-S78 PolarHBondContact O-OG 2.77Å; A61-F112 HydrophobicContact CB-CZ 4.15Å; A61-L128 HydrophobicContact CB-CB 4.36Å; A61-I133 HydrophobicContact CB-CD1 3.71Å; A61-I133 HydrophobicContact CB-CG1 3.63Å |
| 62 | L | 98.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 120.6 | 177.4 | 172.2 | 67.8 | 0 | 0 | 0 | 109.4 | N49 L50 V60 F76 I105 F112 F124 | N49-L62 CarbonylContact C-O 3.42Å; N49-L62 VanDerWaalsContact CA-O 3.25Å; N49-L62 WeakPolarHBondContact CA-O 3.46Å; L50-L62 HydrophobicContact CB-CB 4.18Å; L50-L62 HydrophobicContact CD1-CB 4.17Å; L50-L62 HydrophobicContact CD1-CD2 3.94Å; L50-L62 HydrophobicContact CG-CB 4.21Å; L50-L62 HydrophobicContact CG-CD2 4.29Å; L50-L62 PolarHBondContact N-O 2.78Å; V60-L62 VanDerWaalsContact CG1-C 3.43Å; V60-L62 VanDerWaalsContact CG1-O 3.25Å; V60-L62 WeakPolarHBondContact CG1-O 3.31Å; L62-F76 HydrophobicContact CD1-CD1 3.88Å; L62-F76 HydrophobicContact CD1-CE1 4.46Å; L62-I105 HydrophobicContact CD2-CD1 4.09Å; L62-I105 HydrophobicContact CD2-CG2 3.71Å; L62-F112 HydrophobicContact CB-CD1 4.46Å; L62-F112 HydrophobicContact CB-CD2 4.05Å; L62-F112 HydrophobicContact CB-CE1 4.44Å; L62-F112 HydrophobicContact CB-CE2 3.99Å; L62-F112 HydrophobicContact CB-CG 4.28Å; L62-F112 HydrophobicContact CB-CZ 4.2Å; L62-F112 HydrophobicContact CD1-CB 4.39Å; L62-F112 HydrophobicContact CD1-CD2 4.22Å; L62-F112 HydrophobicContact CD1-CG 4.39Å; L62-F112 HydrophobicContact CD2-CB 3.94Å; L62-F112 HydrophobicContact CD2-CD1 4.05Å; L62-F112 HydrophobicContact CD2-CD2 4.39Å; L62-F112 HydrophobicContact CD2-CG 3.87Å; L62-F112 HydrophobicContact CG-CD2 4.45Å; L62-F112 HydrophobicContact CG-CG 4.41Å; L62-F124 HydrophobicContact CD1-CB 4.34Å; L62-F124 HydrophobicContact CD1-CD1 3.54Å; L62-F124 HydrophobicContact CD1-CE1 4.14Å; L62-F124 HydrophobicContact CD1-CG 4.18Å |
| 63 | H | 98.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 46.7 Ų | 46.7 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 109.2 | 164.1 | 175.7 | 65.1 | 0 | 0 | 0 | 108.4 | N49 V60 N65 F76 N77 W84 | N49-H63 PolarHBondContact OD1-ND1 2.78Å; V60-H63 HydrophobicContact CG1-CB 3.93Å; H63-N65 WeakPolarHBondContact NE2-CB 3.46Å; H63-N65 PolarHBondContact NE2-OD1 2.87Å; H63-F76 VanDerWaalsContact O-CA 3.25Å; H63-F76 WeakPolarHBondContact O-CA 3.44Å; H63-N77 HydrophobicContact CB-CB 4.34Å; H63-N77 WeakPolarHBondContact CB-O 3.33Å; H63-N77 PolarHBondContact N-O 3.15Å; H63-N77 PolarHBondContact O-N 2.88Å; H63-N77 VanDerWaalsContact O-N 3.16Å; H63-W84 HydrophobicContact CB-CH2 3.73Å; H63-W84 HydrophobicContact CB-CZ3 3.48Å; H63-W84 VanDerWaalsContact CB-CZ3 3.48Å; H63-W84 AromaticContact CD2-CH2 3.91Å; H63-W84 AromaticContact CD2-CZ3 3.91Å; H63-W84 AromaticContact CG-CH2 3.51Å; H63-W84 AromaticContact CG-CZ3 3.63Å; H63-W84 AromaticContact ND1-CH2 3.64Å |
| 64 | F | 98.8 | Very high | 96.5 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 112.4 | 174.1 | 177.9 | -91.9 | 0 | 0 | 0 | 108.8 | F46 R47 I48 P66 V74 F76 F95 L103 T114 F121 | F46-F64 HydrophobicContact CE2-CE1 4.35Å; R47-F64 CarbonylContact C-O 3.51Å; R47-F64 VanDerWaalsContact CA-O 3.25Å; R47-F64 WeakPolarHBondContact CA-O 3.31Å; I48-F64 HydrophobicContact CB-CB 4.46Å; I48-F64 HydrophobicContact CB-CD1 4.5Å; I48-F64 HydrophobicContact CD1-CD1 4.31Å; I48-F64 PolarHBondContact N-O 2.84Å; I48-F64 PolarHBondContact O-N 2.81Å; F64-P66 HydrophobicContact CD1-CG 4.01Å; F64-P66 HydrophobicContact CE1-CG 3.39Å; F64-P66 HydrophobicContact CZ-CG 3.97Å; F64-V74 HydrophobicContact CD2-CG1 4.04Å; F64-V74 HydrophobicContact CE2-CG1 3.71Å; F64-V74 HydrophobicContact CZ-CG1 3.99Å; F64-F76 HydrophobicContact CD2-CD1 4.24Å; F64-F76 AromaticContact CD2-CE1 3.45Å; F64-F76 HydrophobicContact CD2-CE1 3.45Å; F64-F76 VanDerWaalsContact CD2-CE1 3.45Å; F64-F76 HydrophobicContact CD2-CE2 4.46Å; F64-F76 AromaticContact CD2-CZ 3.57Å; F64-F76 HydrophobicContact CD2-CZ 3.57Å; F64-F76 AromaticContact CE2-CE1 3.95Å; F64-F76 HydrophobicContact CE2-CE1 3.95Å; F64-F76 HydrophobicContact CE2-CE2 4.48Å; F64-F76 AromaticContact CE2-CZ 3.61Å; F64-F76 HydrophobicContact CE2-CZ 3.61Å; F64-F95 AromaticContact CE1-CE2 3.76Å; F64-F95 HydrophobicContact CE1-CE2 3.76Å; F64-F95 AromaticContact CE1-CZ 3.69Å; F64-F95 HydrophobicContact CE1-CZ 3.69Å; F64-F95 AromaticContact CZ-CE2 3.58Å; F64-F95 HydrophobicContact CZ-CE2 3.58Å; F64-F95 AromaticContact CZ-CZ 3.63Å; F64-F95 HydrophobicContact CZ-CZ 3.63Å; F64-L103 HydrophobicContact CD1-CD2 4.21Å; F64-L103 HydrophobicContact CE1-CD2 3.93Å; F64-L103 HydrophobicContact CE2-CD1 4.48Å; F64-L103 HydrophobicContact CZ-CD1 4.14Å; F64-L103 HydrophobicContact CZ-CD2 4.38Å; F64-T114 HydrophobicContact CD2-CG2 4.15Å; F64-T114 HydrophobicContact CE2-CG2 4.16Å; F64-F121 HydrophobicContact CE2-CD1 4.37Å; F64-F121 HydrophobicContact CE2-CE1 4.4Å |
| 65 | N | 98.8 | Very high | 96.8 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.043 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 90 | -170.9 | 177.8 | -148 | 0 | 0 | 0 | 113.1 | F46 R47 H63 R67 V75 | F46-N65 WeakPolarHBondContact O-CA 3.42Å; F46-N65 PolarHBondContact O-ND2 3.39Å; R47-N65 HydrophobicContact CB-CB 4.14Å; H63-N65 WeakPolarHBondContact NE2-CB 3.46Å; H63-N65 PolarHBondContact NE2-OD1 2.87Å; N65-R67 PolarHBondContact O-N 2.85Å; N65-R67 PolarHBondContact OD1-NE 2.89Å; N65-R67 PolarHBondContact OD1-NH2 2.78Å; N65-R67 VanDerWaalsContact OD1-NH2 3.13Å; N65-V75 HydrophobicContact CB-CB 4.46Å; N65-V75 PolarHBondContact N-O 2.71Å; N65-V75 PolarHBondContact O-N 2.79Å |
| 66 | P | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -62.3 | 130.2 | 165.6 | -25.8 | 39.4 | 0 | 0 | 0 | 111.1 | R45 F46 F64 F68 V74 M93 F95 | R45-P66 WeakPolarHBondContact CA-O 3.27Å; R45-P66 WeakPolarHBondContact CB-O 3.47Å; F46-P66 HydrophobicContact CD1-CB 4.26Å; F46-P66 HydrophobicContact CD1-CG 4.48Å; F46-P66 HydrophobicContact CE1-CB 3.78Å; F46-P66 HydrophobicContact CE1-CG 3.83Å; F46-P66 HydrophobicContact CE2-CG 3.87Å; F46-P66 HydrophobicContact CZ-CB 4Å; F46-P66 HydrophobicContact CZ-CG 3.5Å; F46-P66 VanDerWaalsContact CZ-CG 3.5Å; F46-P66 PolarHBondContact N-O 3.04Å; F46-P66 VanDerWaalsContact O-CD 3.3Å; F46-P66 WeakPolarHBondContact O-CD 3.42Å; F64-P66 HydrophobicContact CD1-CG 4.01Å; F64-P66 HydrophobicContact CE1-CG 3.39Å; F64-P66 HydrophobicContact CZ-CG 3.97Å; P66-F68 HydrophobicContact CB-CE2 4.42Å; P66-V74 HydrophobicContact CB-CG2 4.32Å; P66-V74 HydrophobicContact CG-CG1 4.21Å; P66-V74 HydrophobicContact CG-CG2 4.25Å; P66-M93 HydrophobicContact CB-SD 4.31Å; P66-F95 HydrophobicContact CB-CD2 3.9Å; P66-F95 HydrophobicContact CB-CE2 4.05Å; P66-F95 HydrophobicContact CG-CD2 3.74Å; P66-F95 HydrophobicContact CG-CE2 3.35Å; P66-F95 HydrophobicContact CG-CZ 4.21Å |
| 67 | R | 98.5 | Very high | 97.4 | Very high | 42 Ų | 42 | 33.1 Ų | 33.1 | 16% | 0.158 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 121.5 | -175.4 | -76.4 | -169.1 | -163.8 | 167 | 14.2 | 109.3 | R45 N65 D69 D72 K73 E87 M93 | R45-R67 HydrophobicContact CB-CG 4.14Å; N65-R67 PolarHBondContact O-N 2.85Å; N65-R67 PolarHBondContact OD1-NE 2.89Å; N65-R67 PolarHBondContact OD1-NH2 2.78Å; N65-R67 VanDerWaalsContact OD1-NH2 3.13Å; R67-D69 VanDerWaalsContact CB-OD1 3.27Å; R67-D69 WeakPolarHBondContact CB-OD1 3.39Å; R67-D72 WeakPolarHBondContact O-CA 3.45Å; R67-K73 HydrophobicContact CB-CG 4.07Å; R67-K73 PolarHBondContact N-O 2.89Å; R67-K73 PolarHBondContact O-N 2.93Å; R67-K73 VanDerWaalsContact O-N 3.08Å; R67-E87 IonicContact CZ-OE1 3.6Å; R67-E87 IonicContact NH1-OE1 3.87Å; R67-E87 IonicContact NH2-OE1 3.99Å; R67-E87 PolarHBondContact NH2-OE1 2.84Å; R67-M93 VanDerWaalsContact O-CE 3.23Å; R67-M93 WeakPolarHBondContact O-CE 3.4Å |
| 68 | F | 97.5 | Very high | 97.7 | Very high | 17 Ų | 17 | 29 Ų | 29 | 8% | 0.075 | 15% | 0.151 | C | C | . | . | trans | -105.4 | 7.8 | 174.7 | -64.1 | -94.8 | 0 | 0 | 0 | 112 | V39 I43 T44 P66 D72 M93 F95 K97 | V39-F68 HydrophobicContact CG1-CE2 4.35Å; V39-F68 HydrophobicContact CG1-CZ 4.36Å; I43-F68 HydrophobicContact CB-CD2 4.35Å; I43-F68 HydrophobicContact CD1-CD2 3.43Å; I43-F68 VanDerWaalsContact CD1-CD2 3.43Å; I43-F68 HydrophobicContact CD1-CE2 3.39Å; I43-F68 HydrophobicContact CD1-CZ 4.47Å; I43-F68 HydrophobicContact CG1-CD2 3.61Å; I43-F68 HydrophobicContact CG1-CE2 4.08Å; I43-F68 HydrophobicContact CG1-CG 4.38Å; I43-F68 HydrophobicContact CG2-CB 4.28Å; I43-F68 HydrophobicContact CG2-CD1 4.31Å; I43-F68 HydrophobicContact CG2-CD2 3.75Å; I43-F68 HydrophobicContact CG2-CE2 4.08Å; I43-F68 HydrophobicContact CG2-CG 3.85Å; I43-F68 HydrophobicContact CG2-CZ 4.45Å; T44-F68 WeakPolarHBondContact O-CA 3.41Å; T44-F68 PolarHBondContact O-N 2.81Å; P66-F68 HydrophobicContact CB-CE2 4.42Å; F68-D72 WeakPolarHBondContact CA-OD1 3.41Å; F68-M93 HydrophobicContact CD1-CE 4.19Å; F68-M93 HydrophobicContact CD2-CE 4.29Å; F68-M93 HydrophobicContact CE1-CE 4.03Å; F68-M93 HydrophobicContact CE1-CG 3.8Å; F68-M93 HydrophobicContact CE1-SD 4.02Å; F68-M93 HydrophobicContact CE2-CE 4.1Å; F68-M93 HydrophobicContact CE2-SD 4.09Å; F68-M93 HydrophobicContact CG-CE 4.36Å; F68-M93 HydrophobicContact CZ-CE 4Å; F68-M93 HydrophobicContact CZ-CG 3.96Å; F68-M93 HydrophobicContact CZ-SD 3.67Å; F68-F95 HydrophobicContact CZ-CB 3.99Å; F68-K97 HydrophobicContact CD1-CG 4.18Å; F68-K97 HydrophobicContact CE1-CG 4.06Å | ||
| 69 | D | 93.4 | Very high | 97.7 | Very high | 52 Ų | 52 | 30 Ų | 30 | 28% | 0.278 | 15% | 0.151 | S | C | . | . | S | Bend | trans | -85 | 122.7 | 171.9 | 65.1 | -41.3 | 0 | 0 | 0 | 111.1 | T44 R45 R67 K73 | T44-D69 HydrophobicContact CG2-CB 4Å; T44-D69 PolarHBondContact O-N 2.86Å; R45-D69 IonicContact CZ-OD2 3.26Å; R45-D69 VanDerWaalsContact CZ-OD2 3.26Å; R45-D69 IonicContact NH1-OD2 3.7Å; R45-D69 IonicContact NH2-OD1 2.75Å; R45-D69 IonicContact NH2-OD2 2.67Å; R45-D69 PolarHBondContact NH2-OD2 2.91Å; R67-D69 VanDerWaalsContact CB-OD1 3.27Å; R67-D69 WeakPolarHBondContact CB-OD1 3.39Å; D69-K73 PolarHBondContact O-NZ 3.22Å; D69-K73 IonicContact OD1-NZ 3.9Å |
| 70 | G | 91.2 | Very high | 97.7 | Very high | 74 Ų | 74 | 33.6 Ų | 33.6 | 76% | 0.763 | 17% | 0.165 | S | C | * | . | S | Bend | trans | 71.4 | -125.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 71 | W | 93.4 | Very high | 97.6 | Very high | 237 Ų | 237 | 39.6 Ų | 39.6 | 90% | 0.898 | 20% | 0.197 | S | C | * | . | S | Bend | trans | -81.8 | 125.9 | 173.1 | -74.6 | 82.8 | 0 | 0 | 0 | 110.8 | K73 | W71-K73 WeakPolarHBondContact O-CD 3.32Å; W71-K73 PolarHBondContact O-N 3.17Å; W71-K73 PolarHBondContact O-NZ 3.35Å |
| 72 | D | 98.1 | Very high | 97.4 | Very high | 70 Ų | 70 | 42 Ų | 42 | 37% | 0.374 | 22% | 0.222 | S | C | . | . | trans | -57.1 | 129.1 | 179.5 | -72.3 | 2.3 | 0 | 0 | 0 | 111.8 | R67 F68 M93 | R67-D72 WeakPolarHBondContact O-CA 3.45Å; F68-D72 WeakPolarHBondContact CA-OD1 3.41Å; D72-M93 HydrophobicContact CB-CB 4.06Å; D72-M93 HydrophobicContact CB-CE 3.8Å; D72-M93 HydrophobicContact CB-CG 4.43Å | ||
| 73 | K | 98.4 | Very high | 97.4 | Very high | 39 Ų | 39 | 45.8 Ų | 45.8 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.4 | 158 | -176.7 | 61.1 | -153.2 | 165.5 | -63.8 | 0 | 111.5 | R67 D69 W71 V75 I90 M93 | R67-K73 HydrophobicContact CB-CG 4.07Å; R67-K73 PolarHBondContact N-O 2.89Å; R67-K73 PolarHBondContact O-N 2.93Å; R67-K73 VanDerWaalsContact O-N 3.08Å; D69-K73 PolarHBondContact O-NZ 3.22Å; D69-K73 IonicContact OD1-NZ 3.9Å; W71-K73 WeakPolarHBondContact O-CD 3.32Å; W71-K73 PolarHBondContact O-N 3.17Å; W71-K73 PolarHBondContact O-NZ 3.35Å; K73-V75 HydrophobicContact CG-CG2 4.33Å; K73-I90 VanDerWaalsContact CA-O 3.32Å; K73-I90 WeakPolarHBondContact CA-O 3.35Å; K73-M93 WeakPolarHBondContact O-CE 3.39Å |
| 74 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 125.6 | 164.2 | -173.5 | 0 | 0 | 0 | 0 | 108.5 | F64 P66 F76 I90 M93 P94 F121 | F64-V74 HydrophobicContact CD2-CG1 4.04Å; F64-V74 HydrophobicContact CE2-CG1 3.71Å; F64-V74 HydrophobicContact CZ-CG1 3.99Å; P66-V74 HydrophobicContact CB-CG2 4.32Å; P66-V74 HydrophobicContact CG-CG1 4.21Å; P66-V74 HydrophobicContact CG-CG2 4.25Å; V74-F76 HydrophobicContact CB-CE2 4.08Å; V74-F76 HydrophobicContact CG1-CD2 4.15Å; V74-F76 HydrophobicContact CG1-CE2 3.54Å; V74-F76 HydrophobicContact CG1-CZ 3.99Å; V74-I90 PolarHBondContact N-O 3.27Å; V74-I90 PolarHBondContact O-N 2.93Å; V74-M93 HydrophobicContact CG2-SD 4.21Å; V74-P94 HydrophobicContact CG2-CG 4.3Å; V74-F121 HydrophobicContact CB-CE1 3.72Å; V74-F121 HydrophobicContact CB-CZ 3.75Å; V74-F121 HydrophobicContact CG1-CE1 3.94Å; V74-F121 HydrophobicContact CG1-CZ 4.46Å; V74-F121 HydrophobicContact CG2-CE1 3.73Å; V74-F121 HydrophobicContact CG2-CZ 3.49Å; V74-F121 VanDerWaalsContact CG2-CZ 3.49Å |
| 75 | V | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 132.1 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 109.4 | N65 K73 E87 E88 K89 | N65-V75 HydrophobicContact CB-CB 4.46Å; N65-V75 PolarHBondContact N-O 2.71Å; N65-V75 PolarHBondContact O-N 2.79Å; K73-V75 HydrophobicContact CG-CG2 4.33Å; V75-E87 HydrophobicContact CG1-CB 4.12Å; V75-E87 HydrophobicContact CG1-CG 3.94Å; V75-E88 WeakPolarHBondContact CA-O 3.18Å; V75-K89 HydrophobicContact CG2-CG 4.34Å |
| 76 | F | 98.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 138 | 170 | -65 | -103.1 | 0 | 0 | 0 | 109.8 | L62 H63 F64 V74 E88 I90 T114 F121 F122 F124 | L62-F76 HydrophobicContact CD1-CD1 3.88Å; L62-F76 HydrophobicContact CD1-CE1 4.46Å; H63-F76 VanDerWaalsContact O-CA 3.25Å; H63-F76 WeakPolarHBondContact O-CA 3.44Å; F64-F76 HydrophobicContact CD2-CD1 4.24Å; F64-F76 AromaticContact CD2-CE1 3.45Å; F64-F76 HydrophobicContact CD2-CE1 3.45Å; F64-F76 VanDerWaalsContact CD2-CE1 3.45Å; F64-F76 HydrophobicContact CD2-CE2 4.46Å; F64-F76 AromaticContact CD2-CZ 3.57Å; F64-F76 HydrophobicContact CD2-CZ 3.57Å; F64-F76 AromaticContact CE2-CE1 3.95Å; F64-F76 HydrophobicContact CE2-CE1 3.95Å; F64-F76 HydrophobicContact CE2-CE2 4.48Å; F64-F76 AromaticContact CE2-CZ 3.61Å; F64-F76 HydrophobicContact CE2-CZ 3.61Å; V74-F76 HydrophobicContact CB-CE2 4.08Å; V74-F76 HydrophobicContact CG1-CD2 4.15Å; V74-F76 HydrophobicContact CG1-CE2 3.54Å; V74-F76 HydrophobicContact CG1-CZ 3.99Å; F76-E88 HydrophobicContact CB-CB 4.2Å; F76-E88 PolarHBondContact N-O 2.93Å; F76-E88 PolarHBondContact O-N 2.91Å; F76-I90 HydrophobicContact CD2-CG1 3.91Å; F76-I90 HydrophobicContact CE2-CG1 3.76Å; F76-T114 HydrophobicContact CE1-CG2 3.93Å; F76-T114 HydrophobicContact CZ-CG2 4.36Å; F76-F121 HydrophobicContact CE2-CD1 4.38Å; F76-F121 AromaticContact CE2-CE1 3.75Å; F76-F121 HydrophobicContact CE2-CE1 3.75Å; F76-F121 AromaticContact CZ-CD1 3.98Å; F76-F121 HydrophobicContact CZ-CD1 3.98Å; F76-F121 AromaticContact CZ-CE1 3.78Å; F76-F121 HydrophobicContact CZ-CE1 3.78Å; F76-F122 HydrophobicContact CD1-CD1 4.1Å; F76-F122 AromaticContact CD2-CD1 3.73Å; F76-F122 HydrophobicContact CD2-CD1 3.73Å; F76-F122 HydrophobicContact CD2-CE1 4.17Å; F76-F122 AromaticContact CE1-CD1 3.96Å; F76-F122 HydrophobicContact CE1-CD1 3.96Å; F76-F122 HydrophobicContact CE2-CB 4.04Å; F76-F122 AromaticContact CE2-CD1 3.6Å; F76-F122 HydrophobicContact CE2-CD1 3.6Å; F76-F122 HydrophobicContact CE2-CE1 4.46Å; F76-F122 HydrophobicContact CE2-CG 4.09Å; F76-F122 AromaticContact CG-CD1 3.99Å; F76-F122 HydrophobicContact CG-CD1 3.99Å; F76-F122 HydrophobicContact CG-CE1 4.27Å; F76-F122 HydrophobicContact CZ-CB 3.8Å; F76-F122 AromaticContact CZ-CD1 3.72Å; F76-F122 HydrophobicContact CZ-CD1 3.72Å; F76-F122 HydrophobicContact CZ-CG 4.18Å; F76-F124 HydrophobicContact CB-CB 4.49Å; F76-F124 HydrophobicContact CB-CD2 3.52Å; F76-F124 HydrophobicContact CB-CE2 3.79Å; F76-F124 HydrophobicContact CB-CG 4Å; F76-F124 HydrophobicContact CB-CZ 4.49Å; F76-F124 HydrophobicContact CD1-CB 3.74Å; F76-F124 HydrophobicContact CD1-CD2 4.35Å; F76-F124 HydrophobicContact CD1-CG 4.03Å; F76-F124 HydrophobicContact CE1-CB 4.3Å; F76-F124 HydrophobicContact CG-CB 4.36Å; F76-F124 HydrophobicContact CG-CD2 4.24Å; F76-F124 HydrophobicContact CG-CG 4.38Å |
| 77 | N | 98.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.016 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 176.1 | 173.2 | -150.5 | -13.1 | 0 | 0 | 0 | 111.7 | H63 W84 M85 S86 R127 | H63-N77 HydrophobicContact CB-CB 4.34Å; H63-N77 WeakPolarHBondContact CB-O 3.33Å; H63-N77 PolarHBondContact N-O 3.15Å; H63-N77 PolarHBondContact O-N 2.88Å; H63-N77 VanDerWaalsContact O-N 3.16Å; N77-W84 HydrophobicContact CB-CE3 3.91Å; N77-W84 HydrophobicContact CB-CZ3 4.07Å; N77-M85 PolarHBondContact ND2-O 2.73Å; N77-M85 WeakPolarHBondContact OD1-CB 3.26Å; N77-M85 PolarHBondContact OD1-O 2.8Å; N77-S86 PolarHBondContact OD1-O 3.23Å; N77-R127 PolarHBondContact OD1-NH1 3.12Å; N77-R127 VanDerWaalsContact OD1-NH1 3.12Å |
| 78 | S | 98.8 | Very high | 97.3 | Very high | 0 Ų | 0 | 63 Ų | 63 | 0% | 0 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 152.4 | 165.7 | -53.7 | 0 | 0 | 0 | 0 | 109 | V60 A61 M85 | V60-S78 CarbonylContact O-C 3.58Å; V60-S78 WeakPolarHBondContact O-CA 3.39Å; V60-S78 VanDerWaalsContact O-CB 3.26Å; V60-S78 WeakPolarHBondContact O-CB 3.48Å; A61-S78 PolarHBondContact O-OG 2.77Å; S78-M85 WeakPolarHBondContact O-CB 3.25Å; S78-M85 WeakPolarHBondContact O-CG 3.3Å; S78-M85 PolarHBondContact O-N 3.16Å |
| 79 | R | 98.6 | Very high | 97.3 | Very high | 46 Ų | 46 | 67.9 Ų | 67.9 | 17% | 0.174 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 126.2 | 173.8 | -175.1 | 177.5 | 70.2 | -179 | -4.1 | 108.2 | D56 S57 S58 D59 V60 S83 W84 | D56-R79 PolarHBondContact O-NH2 3.34Å; S57-R79 PolarHBondContact O-NH2 2.9Å; S58-R79 PolarHBondContact O-NH2 2.84Å; D59-R79 CarbonylContact C-O 3.59Å; D59-R79 WeakPolarHBondContact CA-O 3.42Å; D59-R79 VanDerWaalsContact CB-O 3.28Å; D59-R79 WeakPolarHBondContact CB-O 3.18Å; V60-R79 HydrophobicContact CB-CB 3.8Å; V60-R79 HydrophobicContact CG2-CB 3.86Å; V60-R79 PolarHBondContact N-O 2.79Å; V60-R79 PolarHBondContact O-N 3.35Å; R79-S83 CarbonylContact C-O 3.5Å; R79-S83 VanDerWaalsContact CA-O 3.32Å; R79-S83 WeakPolarHBondContact CA-O 3.35Å; R79-S83 WeakPolarHBondContact CG-O 3.27Å; R79-W84 HydrophobicContact CB-CD2 4.14Å; R79-W84 HydrophobicContact CB-CE3 3.85Å; R79-W84 HydrophobicContact CB-CH2 4.33Å; R79-W84 HydrophobicContact CB-CZ3 3.94Å; R79-W84 HydrophobicContact CG-CD2 4.44Å |
| 80 | K | 98.2 | Very high | 97.6 | Very high | 105 Ų | 105 | 66.9 Ų | 66.9 | 46% | 0.457 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.1 | 134.3 | 177.5 | -167.1 | -171.7 | 172.6 | -176.4 | 0 | 109.8 | D59 G82 S83 L128 | D59-K80 WeakPolarHBondContact OD1-CA 3.43Å; D59-K80 WeakPolarHBondContact OD2-CA 3.49Å; K80-G82 PolarHBondContact O-N 2.95Å; K80-S83 PolarHBondContact N-O 2.89Å; K80-S83 PolarHBondContact O-N 2.75Å; K80-L128 HydrophobicContact CB-CD2 4.11Å; K80-L128 HydrophobicContact CD-CD2 3.88Å; K80-L128 HydrophobicContact CG-CD2 3.89Å |
| 81 | D | 96.3 | Very high | 97.8 | Very high | 127 Ų | 127 | 74.6 Ų | 74.6 | 68% | 0.679 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.1 | 42.7 | -179.2 | -56.2 | -52.3 | 0 | 0 | 0 | 111.3 | D59 S83 | D59-D81 VanDerWaalsContact CG-N 3.35Å; D59-D81 PolarHBondContact OD1-N 3.49Å; D59-D81 PolarHBondContact OD2-N 2.85Å; D81-S83 PolarHBondContact O-N 2.85Å; D81-S83 VanDerWaalsContact O-N 3.15Å |
| 82 | G | 94.3 | Very high | 97.9 | Very high | 51 Ų | 51 | 69.7 Ų | 69.7 | 53% | 0.526 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | -6.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | K80 | K80-G82 PolarHBondContact O-N 2.95Š|
| 83 | S | 97.6 | Very high | 97.9 | Very high | 80 Ų | 80 | 68.2 Ų | 68.2 | 56% | 0.559 | 33% | 0.331 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 133.2 | -176.2 | -63.3 | 0 | 0 | 0 | 0 | 112.7 | R79 K80 D81 | R79-S83 CarbonylContact C-O 3.5Å; R79-S83 VanDerWaalsContact CA-O 3.32Å; R79-S83 WeakPolarHBondContact CA-O 3.35Å; R79-S83 WeakPolarHBondContact CG-O 3.27Å; K80-S83 PolarHBondContact N-O 2.89Å; K80-S83 PolarHBondContact O-N 2.75Å; D81-S83 PolarHBondContact O-N 2.85Å; D81-S83 VanDerWaalsContact O-N 3.15Å |
| 84 | W | 98.4 | Very high | 97.9 | Very high | 123 Ų | 123 | 67.9 Ų | 67.9 | 47% | 0.466 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 136 | 174.3 | -72 | 106.1 | 0 | 0 | 0 | 111 | V60 H63 N77 R79 | V60-W84 HydrophobicContact CG2-CH2 4.36Å; H63-W84 HydrophobicContact CB-CH2 3.73Å; H63-W84 HydrophobicContact CB-CZ3 3.48Å; H63-W84 VanDerWaalsContact CB-CZ3 3.48Å; H63-W84 AromaticContact CD2-CH2 3.91Å; H63-W84 AromaticContact CD2-CZ3 3.91Å; H63-W84 AromaticContact CG-CH2 3.51Å; H63-W84 AromaticContact CG-CZ3 3.63Å; H63-W84 AromaticContact ND1-CH2 3.64Å; N77-W84 HydrophobicContact CB-CE3 3.91Å; N77-W84 HydrophobicContact CB-CZ3 4.07Å; R79-W84 HydrophobicContact CB-CD2 4.14Å; R79-W84 HydrophobicContact CB-CE3 3.85Å; R79-W84 HydrophobicContact CB-CH2 4.33Å; R79-W84 HydrophobicContact CB-CZ3 3.94Å; R79-W84 HydrophobicContact CG-CD2 4.44Å |
| 85 | M | 98.6 | Very high | 97.8 | Very high | 82 Ų | 82 | 68.2 Ų | 68.2 | 40% | 0.404 | 33% | 0.334 | S | S | . | . | trans | -82 | -167.3 | 172.9 | -58.7 | -178.6 | 81.1 | 0 | 0 | 110.9 | N77 S78 E87 R127 | N77-M85 PolarHBondContact ND2-O 2.73Å; N77-M85 WeakPolarHBondContact OD1-CB 3.26Å; N77-M85 PolarHBondContact OD1-O 2.8Å; S78-M85 WeakPolarHBondContact O-CB 3.25Å; S78-M85 WeakPolarHBondContact O-CG 3.3Å; S78-M85 PolarHBondContact O-N 3.16Å; M85-E87 PolarHBondContact O-N 3.01Å; M85-R127 HydrophobicContact CE-CB 4.43Å; M85-R127 HydrophobicContact SD-CB 4.05Å | ||
| 86 | S | 98.4 | Very high | 97.8 | Very high | 92 Ų | 92 | 71.9 Ų | 71.9 | 64% | 0.643 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -68.8 | 126.9 | 179.6 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | N77 R127 | N77-S86 PolarHBondContact OD1-O 3.23Å; S86-R127 VanDerWaalsContact O-CZ 3.27Å; S86-R127 PolarHBondContact O-NH1 3.18Å; S86-R127 PolarHBondContact O-NH2 2.71Å |
| 87 | E | 98.4 | Very high | 97.7 | Very high | 71 Ų | 71 | 76.2 Ų | 76.2 | 33% | 0.332 | 38% | 0.378 | S | S | . | . | P | Polyproline II helix | trans | -69.1 | 135.7 | 177.6 | -68.7 | -175 | 137.9 | 0 | 0 | 112.1 | R67 V75 M85 K89 | R67-E87 IonicContact CZ-OE1 3.6Å; R67-E87 IonicContact NH1-OE1 3.87Å; R67-E87 IonicContact NH2-OE1 3.99Å; R67-E87 PolarHBondContact NH2-OE1 2.84Å; V75-E87 HydrophobicContact CG1-CB 4.12Å; V75-E87 HydrophobicContact CG1-CG 3.94Å; M85-E87 PolarHBondContact O-N 3.01Å; E87-K89 HydrophobicContact CB-CG 4.38Å; E87-K89 WeakPolarHBondContact OE2-CE 3.25Å; E87-K89 IonicContact OE2-NZ 3.91Å; E87-K89 PolarHBondContact OE2-NZ 2.89Å |
| 88 | E | 98.6 | Very high | 97.7 | Very high | 53 Ų | 53 | 78.1 Ų | 78.1 | 25% | 0.248 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 119.6 | 163 | -74.7 | 176.7 | -127.9 | 0 | 0 | 109.1 | V75 F76 F122 F124 R127 | V75-E88 WeakPolarHBondContact CA-O 3.18Å; F76-E88 HydrophobicContact CB-CB 4.2Å; F76-E88 PolarHBondContact N-O 2.93Å; F76-E88 PolarHBondContact O-N 2.91Å; E88-F122 WeakPolarHBondContact OE2-CE1 3.18Å; E88-F122 WeakPolarHBondContact OE2-CZ 3.41Å; E88-F124 HydrophobicContact CB-CE2 4.5Å; E88-F124 HydrophobicContact CG-CE2 4.39Å; E88-F124 VanDerWaalsContact OE1-CE2 3.27Å; E88-F124 WeakPolarHBondContact OE1-CE2 3.44Å; E88-R127 IonicContact OE1-CZ 2.83Å; E88-R127 IonicContact OE1-NE 3.27Å; E88-R127 IonicContact OE1-NH2 3.57Å; E88-R127 PolarHBondContact OE1-NH2 2.93Å |
| 89 | K | 98.3 | Very high | 97.7 | Very high | 120 Ų | 120 | 83.8 Ų | 83.8 | 52% | 0.522 | 43% | 0.425 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 111.5 | -172.5 | -64.7 | 176.2 | -178.8 | 172 | 0 | 110.3 | V75 E87 | V75-K89 HydrophobicContact CG2-CG 4.34Å; E87-K89 HydrophobicContact CB-CG 4.38Å; E87-K89 WeakPolarHBondContact OE2-CE 3.25Å; E87-K89 IonicContact OE2-NZ 3.91Å; E87-K89 PolarHBondContact OE2-NZ 2.89Å |
| 90 | I | 98.3 | Very high | 97.7 | Very high | 32 Ų | 32 | 84.8 Ų | 84.8 | 16% | 0.164 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 110 | 178.5 | -47.9 | -53.6 | 0 | 0 | 0 | 108.7 | K73 V74 F76 R92 F121 F122 | K73-I90 VanDerWaalsContact CA-O 3.32Å; K73-I90 WeakPolarHBondContact CA-O 3.35Å; V74-I90 PolarHBondContact N-O 3.27Å; V74-I90 PolarHBondContact O-N 2.93Å; F76-I90 HydrophobicContact CD2-CG1 3.91Å; F76-I90 HydrophobicContact CE2-CG1 3.76Å; I90-R92 HydrophobicContact CG2-CB 4.28Å; I90-R92 PolarHBondContact O-N 3.13Å; I90-F121 HydrophobicContact CB-CZ 4.09Å; I90-F121 HydrophobicContact CG2-CE2 4.15Å; I90-F121 HydrophobicContact CG2-CZ 3.78Å; I90-F122 HydrophobicContact CD1-CD1 4.2Å; I90-F122 HydrophobicContact CD1-CD2 3.62Å; I90-F122 HydrophobicContact CD1-CE1 4.03Å; I90-F122 HydrophobicContact CD1-CE2 3.45Å; I90-F122 VanDerWaalsContact CD1-CE2 3.45Å; I90-F122 HydrophobicContact CD1-CG 4.01Å; I90-F122 HydrophobicContact CD1-CZ 3.67Å; I90-F122 HydrophobicContact CG1-CD1 4.14Å; I90-F122 HydrophobicContact CG1-CD2 4.03Å; I90-F122 HydrophobicContact CG1-CE1 4.38Å; I90-F122 HydrophobicContact CG1-CE2 4.3Å; I90-F122 HydrophobicContact CG1-CG 3.96Å; I90-F122 HydrophobicContact CG1-CZ 4.48Å |
| 91 | R | 95.6 | Very high | 97.7 | Very high | 236 Ų | 236 | 80.2 Ų | 80.2 | 89% | 0.891 | 42% | 0.424 | S | S | * | . | trans | -79.4 | 41.7 | 179.9 | -64.7 | -176.2 | 176 | 152.9 | -1.7 | 112.7 | ||||
| 92 | R | 95.6 | Very high | 97.8 | Very high | 133 Ų | 133 | 77.5 Ų | 77.5 | 50% | 0.502 | 41% | 0.407 | S | S | . | . | trans | -137.3 | 126.5 | 173.4 | -178.5 | 177.8 | 65.6 | -158.4 | -0.8 | 106.9 | I90 P94 F121 | I90-R92 HydrophobicContact CG2-CB 4.28Å; I90-R92 PolarHBondContact O-N 3.13Å; R92-P94 WeakPolarHBondContact O-CD 3.47Å; R92-F121 HydrophobicContact CB-CE2 4.29Å; R92-F121 HydrophobicContact CG-CE2 4.37Å; R92-F121 PolarHBondContact NH2-O 3.39Å; R92-F121 VanDerWaalsContact O-CE2 3.31Å; R92-F121 WeakPolarHBondContact O-CE2 3.49Å; R92-F121 WeakPolarHBondContact O-CZ 3.5Å | ||
| 93 | M | 97.8 | Very high | 98 | Very high | 40 Ų | 40 | 75.1 Ų | 75.1 | 20% | 0.197 | 38% | 0.382 | C | S | . | . | trans | -98.5 | 115.5 | 178 | -173.3 | 57.1 | 73.2 | 0 | 0 | 109.5 | P66 R67 F68 D72 K73 V74 F95 | P66-M93 HydrophobicContact CB-SD 4.31Å; R67-M93 VanDerWaalsContact O-CE 3.23Å; R67-M93 WeakPolarHBondContact O-CE 3.4Å; F68-M93 HydrophobicContact CD1-CE 4.19Å; F68-M93 HydrophobicContact CD2-CE 4.29Å; F68-M93 HydrophobicContact CE1-CE 4.03Å; F68-M93 HydrophobicContact CE1-CG 3.8Å; F68-M93 HydrophobicContact CE1-SD 4.02Å; F68-M93 HydrophobicContact CE2-CE 4.1Å; F68-M93 HydrophobicContact CE2-SD 4.09Å; F68-M93 HydrophobicContact CG-CE 4.36Å; F68-M93 HydrophobicContact CZ-CE 4Å; F68-M93 HydrophobicContact CZ-CG 3.96Å; F68-M93 HydrophobicContact CZ-SD 3.67Å; D72-M93 HydrophobicContact CB-CB 4.06Å; D72-M93 HydrophobicContact CB-CE 3.8Å; D72-M93 HydrophobicContact CB-CG 4.43Å; K73-M93 WeakPolarHBondContact O-CE 3.39Å; V74-M93 HydrophobicContact CG2-SD 4.21Å; M93-F95 VanDerWaalsContact C-N 3.33Å; M93-F95 WeakPolarHBondContact CG-O 3.4Å; M93-F95 HydrophobicContact SD-CB 4.2Å; M93-F95 HydrophobicContact SD-CD2 3.97Å | ||
| 94 | P | 98.1 | Very high | 98.1 | Very high | 32 Ų | 32 | 71.7 Ų | 71.7 | 21% | 0.208 | 36% | 0.358 | C | S | . | . | trans | -90.1 | -0.9 | 178.2 | 37.3 | -35 | 0 | 0 | 0 | 112.9 | V74 R92 V116 F121 | V74-P94 HydrophobicContact CG2-CG 4.3Å; R92-P94 WeakPolarHBondContact O-CD 3.47Å; P94-V116 HydrophobicContact CB-CB 3.87Å; P94-V116 HydrophobicContact CB-CG1 3.99Å; P94-V116 HydrophobicContact CB-CG2 4.03Å; P94-V116 HydrophobicContact CG-CB 4.28Å; P94-V116 HydrophobicContact CG-CG1 4.41Å; P94-V116 HydrophobicContact CG-CG2 3.9Å; P94-F121 HydrophobicContact CB-CD2 3.71Å; P94-F121 HydrophobicContact CB-CE2 3.92Å; P94-F121 HydrophobicContact CB-CG 4.33Å; P94-F121 HydrophobicContact CG-CD1 4.29Å; P94-F121 HydrophobicContact CG-CD2 3.66Å; P94-F121 HydrophobicContact CG-CE1 4.18Å; P94-F121 HydrophobicContact CG-CE2 3.56Å; P94-F121 HydrophobicContact CG-CG 4.05Å; P94-F121 HydrophobicContact CG-CZ 3.84Å | ||
| 95 | F | 98.3 | Very high | 98.1 | Very high | 7 Ų | 7 | 65.9 Ų | 65.9 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | trans | -110.9 | 148.4 | -179.4 | -56.9 | -78.8 | 0 | 0 | 0 | 110.7 | V39 F46 F64 P66 F68 M93 F101 V116 | V39-F95 HydrophobicContact CG2-CB 4.14Å; V39-F95 HydrophobicContact CG2-CD1 4.39Å; F46-F95 HydrophobicContact CZ-CD1 4.33Å; F46-F95 HydrophobicContact CZ-CD2 4.32Å; F46-F95 HydrophobicContact CZ-CE1 4.11Å; F46-F95 HydrophobicContact CZ-CE2 4.11Å; F46-F95 HydrophobicContact CZ-CG 4.44Å; F46-F95 HydrophobicContact CZ-CZ 4Å; F64-F95 AromaticContact CE1-CE2 3.76Å; F64-F95 HydrophobicContact CE1-CE2 3.76Å; F64-F95 AromaticContact CE1-CZ 3.69Å; F64-F95 HydrophobicContact CE1-CZ 3.69Å; F64-F95 AromaticContact CZ-CE2 3.58Å; F64-F95 HydrophobicContact CZ-CE2 3.58Å; F64-F95 AromaticContact CZ-CZ 3.63Å; F64-F95 HydrophobicContact CZ-CZ 3.63Å; P66-F95 HydrophobicContact CB-CD2 3.9Å; P66-F95 HydrophobicContact CB-CE2 4.05Å; P66-F95 HydrophobicContact CG-CD2 3.74Å; P66-F95 HydrophobicContact CG-CE2 3.35Å; P66-F95 HydrophobicContact CG-CZ 4.21Å; F68-F95 HydrophobicContact CZ-CB 3.99Å; M93-F95 VanDerWaalsContact C-N 3.33Å; M93-F95 WeakPolarHBondContact CG-O 3.4Å; M93-F95 HydrophobicContact SD-CB 4.2Å; M93-F95 HydrophobicContact SD-CD2 3.97Å; F95-F101 HydrophobicContact CD1-CB 3.8Å; F95-F101 HydrophobicContact CD1-CD1 4.05Å; F95-F101 HydrophobicContact CD1-CD2 4.31Å; F95-F101 AromaticContact CD1-CG 3.8Å; F95-F101 HydrophobicContact CD1-CG 3.8Å; F95-F101 HydrophobicContact CE1-CB 3.93Å; F95-F101 HydrophobicContact CE1-CD1 4.23Å; F95-F101 AromaticContact CE1-CD2 3.72Å; F95-F101 HydrophobicContact CE1-CD2 3.72Å; F95-F101 HydrophobicContact CE1-CE2 4.27Å; F95-F101 AromaticContact CE1-CG 3.69Å; F95-F101 HydrophobicContact CE1-CG 3.69Å; F95-V116 HydrophobicContact CD1-CG1 4.08Å; F95-V116 HydrophobicContact CE1-CG1 3.72Å; F95-V116 HydrophobicContact CE1-CG2 4.19Å; F95-V116 HydrophobicContact CE2-CG2 4.39Å; F95-V116 HydrophobicContact CZ-CG1 4.14Å; F95-V116 HydrophobicContact CZ-CG2 3.78Å | ||
| 96 | S | 97.8 | Very high | 98 | Very high | 77 Ų | 77 | 63.9 Ų | 63.9 | 54% | 0.538 | 33% | 0.326 | S | S | . | . | trans | -116.8 | 143.5 | 175 | -70.9 | 0 | 0 | 0 | 0 | 109.8 | V39 E99 | V39-S96 WeakPolarHBondContact CB-O 2.71Å; S96-E99 PolarHBondContact O-N 3.03Å | ||
| 97 | K | 97.9 | Very high | 98 | Very high | 90 Ų | 90 | 59.6 Ų | 59.6 | 39% | 0.391 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | 140 | 174.4 | -57.3 | -172.7 | 178.5 | -175.1 | 0 | 109.6 | I43 F68 E99 | I43-K97 HydrophobicContact CG2-CD 4.08Å; I43-K97 HydrophobicContact CG2-CG 3.76Å; F68-K97 HydrophobicContact CD1-CG 4.18Å; F68-K97 HydrophobicContact CE1-CG 4.06Å; K97-E99 PolarHBondContact O-N 2.83Å |
| 98 | G | 98.1 | Very high | 97.9 | Very high | 43 Ų | 43 | 58.1 Ų | 58.1 | 44% | 0.443 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.9 | -7.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 115 | V39 E41 | V39-G98 CarbonylContact O-C 3.56Å; V39-G98 WeakPolarHBondContact O-CA 3.35Å; V39-G98 PolarHBondContact O-N 2.74Å; E41-G98 VanDerWaalsContact OE2-CA 3.31Å; E41-G98 WeakPolarHBondContact OE2-CA 3.46Å; E41-G98 PolarHBondContact OE2-N 3.43Å |
| 99 | E | 98.4 | Very high | 97.8 | Very high | 119 Ų | 119 | 60.3 Ų | 60.3 | 56% | 0.556 | 31% | 0.313 | S | S | * | . | trans | -101.9 | 153.4 | -170.5 | -69.5 | -67.9 | 157.7 | 0 | 0 | 113.1 | S38 V39 S96 K97 | S38-E99 WeakPolarHBondContact CA-O 3.28Å; V39-E99 PolarHBondContact N-O 2.67Å; S96-E99 PolarHBondContact O-N 3.03Å; K97-E99 PolarHBondContact O-N 2.83Å | ||
| 100 | A | 98.6 | Very high | 97.7 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 56% | 0.562 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 155.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | G37 | G37-A100 CarbonylContact O-C 3.45Å; G37-A100 WeakPolarHBondContact O-CA 3.42Å |
| 101 | F | 98.8 | Very high | 97.7 | Very high | 9 Ų | 9 | 60.7 Ų | 60.7 | 4% | 0.039 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 151.1 | 174.3 | 69.1 | -94 | 0 | 0 | 0 | 112.3 | I35 Q36 G37 V39 F46 F95 L103 N117 V142 I144 | I35-F101 HydrophobicContact CG2-CE2 4.15Å; Q36-F101 WeakPolarHBondContact CA-O 3.48Å; G37-F101 VanDerWaalsContact C-CE1 3.46Å; G37-F101 PolarHBondContact N-O 2.93Å; G37-F101 PolarHBondContact O-N 3.28Å; V39-F101 HydrophobicContact CG2-CD1 3.85Å; V39-F101 HydrophobicContact CG2-CE1 4.01Å; F46-F101 HydrophobicContact CZ-CZ 4.4Å; F95-F101 HydrophobicContact CD1-CB 3.8Å; F95-F101 HydrophobicContact CD1-CD1 4.05Å; F95-F101 HydrophobicContact CD1-CD2 4.31Å; F95-F101 AromaticContact CD1-CG 3.8Å; F95-F101 HydrophobicContact CD1-CG 3.8Å; F95-F101 HydrophobicContact CE1-CB 3.93Å; F95-F101 HydrophobicContact CE1-CD1 4.23Å; F95-F101 AromaticContact CE1-CD2 3.72Å; F95-F101 HydrophobicContact CE1-CD2 3.72Å; F95-F101 HydrophobicContact CE1-CE2 4.27Å; F95-F101 AromaticContact CE1-CG 3.69Å; F95-F101 HydrophobicContact CE1-CG 3.69Å; F101-L103 HydrophobicContact CD2-CB 4.02Å; F101-L103 HydrophobicContact CE2-CB 4.08Å; F101-N117 WeakPolarHBondContact CA-OD1 3.41Å; F101-V142 HydrophobicContact CE1-CG2 3.8Å; F101-V142 HydrophobicContact CZ-CG2 3.83Å; F101-I144 HydrophobicContact CZ-CD1 4.18Å |
| 102 | E | 98.6 | Very high | 97.9 | Very high | 70 Ų | 70 | 49.5 Ų | 49.5 | 33% | 0.327 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.8 | 160.1 | -177.9 | -177.1 | 88.9 | 0 | 0 | 108.6 | V104 V116 N117 | E102-V104 HydrophobicContact CG-CG2 4.36Å; E102-V116 CarbonylContact O-C 3.54Å; E102-V116 VanDerWaalsContact O-CA 3.27Å; E102-V116 WeakPolarHBondContact O-CA 3.36Å; E102-N117 PolarHBondContact N-OD1 3.17Å; E102-N117 PolarHBondContact O-N 3.47Å |
| 103 | L | 98.8 | Very high | 98 | Very high | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 129.2 | 173 | 169.3 | 66.2 | 0 | 0 | 0 | 109.2 | I35 I48 F64 F101 I105 K115 V116 | I35-L103 HydrophobicContact CB-CB 4.34Å; I35-L103 HydrophobicContact CD1-CD2 4.28Å; I35-L103 PolarHBondContact N-O 3Å; I35-L103 PolarHBondContact O-N 3.22Å; I48-L103 HydrophobicContact CD1-CD2 3.36Å; F64-L103 HydrophobicContact CD1-CD2 4.21Å; F64-L103 HydrophobicContact CE1-CD2 3.93Å; F64-L103 HydrophobicContact CE2-CD1 4.48Å; F64-L103 HydrophobicContact CZ-CD1 4.14Å; F64-L103 HydrophobicContact CZ-CD2 4.38Å; F101-L103 HydrophobicContact CD2-CB 4.02Å; F101-L103 HydrophobicContact CE2-CB 4.08Å; L103-I105 HydrophobicContact CD1-CG1 4.15Å; L103-I105 HydrophobicContact CD2-CD1 4.24Å; L103-I105 HydrophobicContact CD2-CG1 4.29Å; L103-I105 HydrophobicContact CG-CG1 4.09Å; L103-K115 WeakPolarHBondContact CA-O 3.25Å; L103-V116 HydrophobicContact CD1-CG2 3.94Å |
| 104 | V | 98.5 | Very high | 98 | Very high | 9 Ų | 9 | 43 Ų | 43 | 6% | 0.055 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 124.4 | 171 | -169.2 | 0 | 0 | 0 | 0 | 108.9 | V33 Y34 E102 M106 T114 K115 | V33-V104 WeakPolarHBondContact O-CA 3.31Å; Y34-V104 HydrophobicContact CD1-CB 4.32Å; Y34-V104 HydrophobicContact CD1-CG1 3.97Å; Y34-V104 HydrophobicContact CD1-CG2 3.55Å; Y34-V104 HydrophobicContact CD2-CG1 4.47Å; Y34-V104 HydrophobicContact CE1-CB 4.18Å; Y34-V104 HydrophobicContact CE1-CG1 3.58Å; Y34-V104 HydrophobicContact CE1-CG2 3.49Å; Y34-V104 VanDerWaalsContact CE1-CG2 3.49Å; Y34-V104 HydrophobicContact CE2-CG1 4.13Å; Y34-V104 HydrophobicContact CG-CG1 4.39Å; Y34-V104 HydrophobicContact CG-CG2 4.5Å; E102-V104 HydrophobicContact CG-CG2 4.36Å; V104-M106 HydrophobicContact CG1-CG 4Å; V104-T114 CarbonylContact O-C 3.53Å; V104-T114 WeakPolarHBondContact O-CA 3.17Å; V104-K115 HydrophobicContact CB-CB 4.29Å; V104-K115 PolarHBondContact N-O 3.12Å; V104-K115 PolarHBondContact O-N 2.7Å |
| 105 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 102.9 | 172.6 | -51.4 | 176 | 0 | 0 | 0 | 107.3 | S32 V33 I48 L50 L62 L103 F112 T114 | S32-I105 CarbonylContact C-O 3.55Å; S32-I105 WeakPolarHBondContact CA-O 3.19Å; V33-I105 HydrophobicContact CB-CB 4.3Å; V33-I105 PolarHBondContact N-O 2.87Å; V33-I105 PolarHBondContact O-N 3.28Å; I48-I105 HydrophobicContact CG2-CD1 4.33Å; L50-I105 HydrophobicContact CD1-CG2 4.48Å; L62-I105 HydrophobicContact CD2-CD1 4.09Å; L62-I105 HydrophobicContact CD2-CG2 3.71Å; L103-I105 HydrophobicContact CD1-CG1 4.15Å; L103-I105 HydrophobicContact CD2-CD1 4.24Å; L103-I105 HydrophobicContact CD2-CG1 4.29Å; L103-I105 HydrophobicContact CG-CG1 4.09Å; I105-F112 HydrophobicContact CG2-CB 4.12Å; I105-F112 HydrophobicContact CG2-CD1 4.22Å; I105-T114 HydrophobicContact CG1-CG2 4.32Å |
| 106 | M | 97.8 | Very high | 98.1 | Very high | 40 Ų | 40 | 44.7 Ų | 44.7 | 20% | 0.197 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 129.1 | 176.6 | -63.2 | 164.2 | -78.7 | 0 | 0 | 109.8 | S32 V104 T108 F112 Q113 K115 | S32-M106 WeakPolarHBondContact OG-CG 3.48Å; V104-M106 HydrophobicContact CG1-CG 4Å; M106-T108 HydrophobicContact CB-CG2 4.25Å; M106-T108 PolarHBondContact O-N 3.36Å; M106-F112 WeakPolarHBondContact O-CA 3.45Å; M106-Q113 HydrophobicContact CB-CB 4.28Å; M106-Q113 HydrophobicContact CE-CB 3.91Å; M106-Q113 HydrophobicContact CE-CG 3.39Å; M106-Q113 PolarHBondContact N-O 2.84Å; M106-Q113 PolarHBondContact O-N 2.88Å; M106-K115 HydrophobicContact CE-CB 4.46Å; M106-K115 HydrophobicContact CE-CD 3.5Å; M106-K115 HydrophobicContact CE-CG 3.65Å |
| 107 | I | 97.1 | Very high | 98.1 | Very high | 2 Ų | 2 | 45.1 Ų | 45.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 98.9 | 175.7 | -56.9 | 172.8 | 0 | 0 | 0 | 106.9 | V27 V29 G30 A31 F112 V130 | V27-I107 HydrophobicContact CB-CD1 3.53Å; V27-I107 HydrophobicContact CG1-CD1 3.93Å; V27-I107 HydrophobicContact CG2-CD1 3.56Å; V29-I107 CarbonylContact C-O 3.52Å; V29-I107 WeakPolarHBondContact CA-O 3.31Å; G30-I107 PolarHBondContact N-O 2.87Å; A31-I107 HydrophobicContact CB-CD1 4.26Å; A31-I107 PolarHBondContact O-N 2.82Å; I107-F112 HydrophobicContact CG1-CD1 4.13Å; I107-F112 HydrophobicContact CG1-CE1 4.18Å; I107-V130 HydrophobicContact CG2-CB 4.29Å; I107-V130 HydrophobicContact CG2-CG1 4.06Å |
| 108 | T | 97.4 | Very high | 98 | Very high | 41 Ų | 41 | 43.5 Ų | 43.5 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | trans | -97.9 | 173.3 | -179.6 | 76.2 | 0 | 0 | 0 | 0 | 110.8 | M106 K110 G111 Q113 H126 | M106-T108 HydrophobicContact CB-CG2 4.25Å; M106-T108 PolarHBondContact O-N 3.36Å; T108-K110 PolarHBondContact O-N 2.82Å; T108-K110 PolarHBondContact OG1-N 3.33Å; T108-G111 WeakPolarHBondContact CB-O 3.43Å; T108-G111 PolarHBondContact N-O 2.79Å; T108-G111 PolarHBondContact OG1-N 2.76Å; T108-G111 VanDerWaalsContact OG1-N 3.15Å; T108-G111 PolarHBondContact OG1-O 2.87Å; T108-Q113 HydrophobicContact CG2-CB 3.94Å; T108-H126 PolarHBondContact O-NE2 2.97Å | ||
| 109 | S | 95.7 | Very high | 98 | Very high | 99 Ų | 99 | 49.1 Ų | 49.1 | 69% | 0.692 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -66.7 | -21.9 | 172.5 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | ||
| 110 | K | 96.8 | Very high | 98 | Very high | 160 Ų | 160 | 48.1 Ų | 48.1 | 70% | 0.696 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -93.5 | -26.1 | -177.6 | -63 | -176.1 | 179.3 | -178.7 | 0 | 113.5 | T108 L123 | T108-K110 PolarHBondContact O-N 2.82Å; T108-K110 PolarHBondContact OG1-N 3.33Å; K110-L123 HydrophobicContact CB-CD2 4.15Å |
| 111 | G | 97.9 | Very high | 98 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 162.8 | -171 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | T108 F124 H126 | T108-G111 WeakPolarHBondContact CB-O 3.43Å; T108-G111 PolarHBondContact N-O 2.79Å; T108-G111 PolarHBondContact OG1-N 2.76Å; T108-G111 VanDerWaalsContact OG1-N 3.15Å; T108-G111 PolarHBondContact OG1-O 2.87Å; G111-F124 CarbonylContact C-O 3.55Å; G111-F124 WeakPolarHBondContact CA-O 3.15Å; G111-H126 VanDerWaalsContact CA-CE1 3.42Å; G111-H126 WeakPolarHBondContact CA-CE1 3.4Å; G111-H126 VanDerWaalsContact CA-NE2 3.35Å; G111-H126 WeakPolarHBondContact CA-NE2 3.27Å; G111-H126 PolarHBondContact N-NE2 2.91Å |
| 112 | F | 98.6 | Very high | 98 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 105.8 | 171.2 | -54.5 | -82.3 | 0 | 0 | 0 | 109.5 | L50 A61 L62 I105 M106 I107 F124 H126 V130 I133 | L50-F112 HydrophobicContact CD1-CD1 4Å; L50-F112 HydrophobicContact CD1-CE1 3.73Å; A61-F112 HydrophobicContact CB-CZ 4.15Å; L62-F112 HydrophobicContact CB-CD1 4.46Å; L62-F112 HydrophobicContact CB-CD2 4.05Å; L62-F112 HydrophobicContact CB-CE1 4.44Å; L62-F112 HydrophobicContact CB-CE2 3.99Å; L62-F112 HydrophobicContact CB-CG 4.28Å; L62-F112 HydrophobicContact CB-CZ 4.2Å; L62-F112 HydrophobicContact CD1-CB 4.39Å; L62-F112 HydrophobicContact CD1-CD2 4.22Å; L62-F112 HydrophobicContact CD1-CG 4.39Å; L62-F112 HydrophobicContact CD2-CB 3.94Å; L62-F112 HydrophobicContact CD2-CD1 4.05Å; L62-F112 HydrophobicContact CD2-CD2 4.39Å; L62-F112 HydrophobicContact CD2-CG 3.87Å; L62-F112 HydrophobicContact CG-CD2 4.45Å; L62-F112 HydrophobicContact CG-CG 4.41Å; I105-F112 HydrophobicContact CG2-CB 4.12Å; I105-F112 HydrophobicContact CG2-CD1 4.22Å; M106-F112 WeakPolarHBondContact O-CA 3.45Å; I107-F112 HydrophobicContact CG1-CD1 4.13Å; I107-F112 HydrophobicContact CG1-CE1 4.18Å; F112-F124 AromaticContact CD2-CD1 3.94Å; F112-F124 HydrophobicContact CD2-CD1 3.94Å; F112-F124 PolarHBondContact N-O 2.87Å; F112-F124 PolarHBondContact O-N 3.03Å; F112-H126 AromaticContact CD2-CE1 3.94Å; F112-H126 AromaticContact CD2-ND1 3.57Å; F112-H126 AromaticContact CE1-CE1 3.94Å; F112-H126 AromaticContact CE2-CE1 3.79Å; F112-H126 AromaticContact CE2-ND1 3.17Å; F112-H126 WeakPolarHBondContact CE2-ND1 3.39Å; F112-H126 AromaticContact CZ-CE1 3.78Å; F112-H126 AromaticContact CZ-ND1 3.45Å; F112-H126 WeakPolarHBondContact CZ-ND1 3.42Å; F112-V130 HydrophobicContact CZ-CG1 4.3Å; F112-I133 HydrophobicContact CE1-CD1 3.86Å; F112-I133 HydrophobicContact CZ-CD1 3.85Å |
| 113 | Q | 98.6 | Very high | 97.9 | Very high | 38 Ų | 38 | 46.8 Ų | 46.8 | 18% | 0.178 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 118.2 | 173.3 | 178.2 | 67.4 | 29.6 | 0 | 0 | 108.8 | M106 T108 D120 L123 | M106-Q113 HydrophobicContact CB-CB 4.28Å; M106-Q113 HydrophobicContact CE-CB 3.91Å; M106-Q113 HydrophobicContact CE-CG 3.39Å; M106-Q113 PolarHBondContact N-O 2.84Å; M106-Q113 PolarHBondContact O-N 2.88Å; T108-Q113 HydrophobicContact CG2-CB 3.94Å; Q113-D120 PolarHBondContact NE2-OD1 3.15Å; Q113-L123 HydrophobicContact CB-CD1 4.11Å; Q113-L123 VanDerWaalsContact OE1-CB 3.31Å |
| 114 | T | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 133.7 | 177.4 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | F64 F76 V104 I105 F121 F122 | F64-T114 HydrophobicContact CD2-CG2 4.15Å; F64-T114 HydrophobicContact CE2-CG2 4.16Å; F76-T114 HydrophobicContact CE1-CG2 3.93Å; F76-T114 HydrophobicContact CZ-CG2 4.36Å; V104-T114 CarbonylContact O-C 3.53Å; V104-T114 WeakPolarHBondContact O-CA 3.17Å; I105-T114 HydrophobicContact CG1-CG2 4.32Å; T114-F121 WeakPolarHBondContact O-CB 3.25Å; T114-F121 PolarHBondContact O-N 2.76Å; T114-F122 PolarHBondContact N-O 2.8Å; T114-F122 PolarHBondContact O-N 3.01Å; T114-F122 PolarHBondContact OG1-N 3.07Å; T114-F122 VanDerWaalsContact OG1-N 3.1Å; T114-F122 PolarHBondContact OG1-O 2.96Å |
| 115 | K | 98.6 | Very high | 97.9 | Very high | 69 Ų | 69 | 49.2 Ų | 49.2 | 30% | 0.3 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 137.8 | 169.5 | -74.4 | -179.8 | 172.9 | 178.5 | 0 | 109.4 | L103 V104 M106 K119 D120 | L103-K115 WeakPolarHBondContact CA-O 3.25Å; V104-K115 HydrophobicContact CB-CB 4.29Å; V104-K115 PolarHBondContact N-O 3.12Å; V104-K115 PolarHBondContact O-N 2.7Å; M106-K115 HydrophobicContact CE-CB 4.46Å; M106-K115 HydrophobicContact CE-CD 3.5Å; M106-K115 HydrophobicContact CE-CG 3.65Å; K115-K119 CarbonylContact C-O 3.53Å; K115-K119 WeakPolarHBondContact CA-O 3.14Å; K115-D120 WeakPolarHBondContact CE-OD1 3.37Å; K115-D120 WeakPolarHBondContact CG-OD1 3.4Å; K115-D120 IonicContact NZ-OD1 3.99Å |
| 116 | V | 98.6 | Very high | 97.9 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.03 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 126.5 | 174.8 | -177.7 | 0 | 0 | 0 | 0 | 108.6 | P94 F95 E102 L103 G118 K119 F121 | P94-V116 HydrophobicContact CB-CB 3.87Å; P94-V116 HydrophobicContact CB-CG1 3.99Å; P94-V116 HydrophobicContact CB-CG2 4.03Å; P94-V116 HydrophobicContact CG-CB 4.28Å; P94-V116 HydrophobicContact CG-CG1 4.41Å; P94-V116 HydrophobicContact CG-CG2 3.9Å; F95-V116 HydrophobicContact CD1-CG1 4.08Å; F95-V116 HydrophobicContact CE1-CG1 3.72Å; F95-V116 HydrophobicContact CE1-CG2 4.19Å; F95-V116 HydrophobicContact CE2-CG2 4.39Å; F95-V116 HydrophobicContact CZ-CG1 4.14Å; F95-V116 HydrophobicContact CZ-CG2 3.78Å; E102-V116 CarbonylContact O-C 3.54Å; E102-V116 VanDerWaalsContact O-CA 3.27Å; E102-V116 WeakPolarHBondContact O-CA 3.36Å; L103-V116 HydrophobicContact CD1-CG2 3.94Å; V116-G118 VanDerWaalsContact C-N 3.28Å; V116-G118 PolarHBondContact O-N 2.79Å; V116-K119 PolarHBondContact N-O 2.78Å; V116-K119 PolarHBondContact O-N 3.02Å; V116-F121 HydrophobicContact CG2-CB 4.39Å |
| 117 | N | 97.9 | Very high | 98 | Very high | 85 Ų | 85 | 53 Ų | 53 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 47.9 | -177.8 | -61.4 | -22.6 | 0 | 0 | 0 | 112.2 | F101 E102 K119 | F101-N117 WeakPolarHBondContact CA-OD1 3.41Å; E102-N117 PolarHBondContact N-OD1 3.17Å; E102-N117 PolarHBondContact O-N 3.47Å; N117-K119 PolarHBondContact O-N 3.21Å; N117-K119 VanDerWaalsContact O-N 3.16Å |
| 118 | G | 96.3 | Very high | 98 | Very high | 57 Ų | 57 | 53.6 Ų | 53.6 | 59% | 0.588 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.6 | -6.3 | -179 | 0 | 0 | 0 | 0 | 0 | 116.2 | V116 | V116-G118 VanDerWaalsContact C-N 3.28Å; V116-G118 PolarHBondContact O-N 2.79Å |
| 119 | K | 98 | Very high | 98 | Very high | 161 Ų | 161 | 54.5 Ų | 54.5 | 70% | 0.7 | 29% | 0.29 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101 | 137.5 | -176.9 | -63.5 | 177.8 | -176.4 | 174.7 | 0 | 111.6 | K115 V116 N117 F121 | K115-K119 CarbonylContact C-O 3.53Å; K115-K119 WeakPolarHBondContact CA-O 3.14Å; V116-K119 PolarHBondContact N-O 2.78Å; V116-K119 PolarHBondContact O-N 3.02Å; N117-K119 PolarHBondContact O-N 3.21Å; N117-K119 VanDerWaalsContact O-N 3.16Å; K119-F121 PolarHBondContact O-N 3.36Å |
| 120 | D | 98 | Very high | 97.9 | Very high | 97 Ų | 97 | 50.1 Ų | 50.1 | 52% | 0.519 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 127.8 | 172.9 | -80.6 | -46.8 | 0 | 0 | 0 | 111.4 | Q113 K115 | Q113-D120 PolarHBondContact NE2-OD1 3.15Å; K115-D120 WeakPolarHBondContact CE-OD1 3.37Å; K115-D120 WeakPolarHBondContact CG-OD1 3.4Å; K115-D120 IonicContact NZ-OD1 3.99Å |
| 121 | F | 98.4 | Very high | 97.7 | Very high | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.053 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | -66.4 | -179.2 | -177.1 | -114.3 | 0 | 0 | 0 | 111.5 | F64 V74 F76 I90 R92 P94 T114 V116 K119 | F64-F121 HydrophobicContact CE2-CD1 4.37Å; F64-F121 HydrophobicContact CE2-CE1 4.4Å; V74-F121 HydrophobicContact CB-CE1 3.72Å; V74-F121 HydrophobicContact CB-CZ 3.75Å; V74-F121 HydrophobicContact CG1-CE1 3.94Å; V74-F121 HydrophobicContact CG1-CZ 4.46Å; V74-F121 HydrophobicContact CG2-CE1 3.73Å; V74-F121 HydrophobicContact CG2-CZ 3.49Å; V74-F121 VanDerWaalsContact CG2-CZ 3.49Å; F76-F121 HydrophobicContact CE2-CD1 4.38Å; F76-F121 AromaticContact CE2-CE1 3.75Å; F76-F121 HydrophobicContact CE2-CE1 3.75Å; F76-F121 AromaticContact CZ-CD1 3.98Å; F76-F121 HydrophobicContact CZ-CD1 3.98Å; F76-F121 AromaticContact CZ-CE1 3.78Å; F76-F121 HydrophobicContact CZ-CE1 3.78Å; I90-F121 HydrophobicContact CB-CZ 4.09Å; I90-F121 HydrophobicContact CG2-CE2 4.15Å; I90-F121 HydrophobicContact CG2-CZ 3.78Å; R92-F121 HydrophobicContact CB-CE2 4.29Å; R92-F121 HydrophobicContact CG-CE2 4.37Å; R92-F121 PolarHBondContact NH2-O 3.39Å; R92-F121 VanDerWaalsContact O-CE2 3.31Å; R92-F121 WeakPolarHBondContact O-CE2 3.49Å; R92-F121 WeakPolarHBondContact O-CZ 3.5Å; P94-F121 HydrophobicContact CB-CD2 3.71Å; P94-F121 HydrophobicContact CB-CE2 3.92Å; P94-F121 HydrophobicContact CB-CG 4.33Å; P94-F121 HydrophobicContact CG-CD1 4.29Å; P94-F121 HydrophobicContact CG-CD2 3.66Å; P94-F121 HydrophobicContact CG-CE1 4.18Å; P94-F121 HydrophobicContact CG-CE2 3.56Å; P94-F121 HydrophobicContact CG-CG 4.05Å; P94-F121 HydrophobicContact CG-CZ 3.84Å; T114-F121 WeakPolarHBondContact O-CB 3.25Å; T114-F121 PolarHBondContact O-N 2.76Å; V116-F121 HydrophobicContact CG2-CB 4.39Å; K119-F121 PolarHBondContact O-N 3.36Å |
| 122 | F | 98.6 | Very high | 97.6 | Very high | 47 Ų | 47 | 52.3 Ų | 52.3 | 21% | 0.206 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 143.1 | -175.2 | -169.1 | -116 | 0 | 0 | 0 | 113 | F76 E88 I90 T114 F124 | F76-F122 HydrophobicContact CD1-CD1 4.1Å; F76-F122 AromaticContact CD2-CD1 3.73Å; F76-F122 HydrophobicContact CD2-CD1 3.73Å; F76-F122 HydrophobicContact CD2-CE1 4.17Å; F76-F122 AromaticContact CE1-CD1 3.96Å; F76-F122 HydrophobicContact CE1-CD1 3.96Å; F76-F122 HydrophobicContact CE2-CB 4.04Å; F76-F122 AromaticContact CE2-CD1 3.6Å; F76-F122 HydrophobicContact CE2-CD1 3.6Å; F76-F122 HydrophobicContact CE2-CE1 4.46Å; F76-F122 HydrophobicContact CE2-CG 4.09Å; F76-F122 AromaticContact CG-CD1 3.99Å; F76-F122 HydrophobicContact CG-CD1 3.99Å; F76-F122 HydrophobicContact CG-CE1 4.27Å; F76-F122 HydrophobicContact CZ-CB 3.8Å; F76-F122 AromaticContact CZ-CD1 3.72Å; F76-F122 HydrophobicContact CZ-CD1 3.72Å; F76-F122 HydrophobicContact CZ-CG 4.18Å; E88-F122 WeakPolarHBondContact OE2-CE1 3.18Å; E88-F122 WeakPolarHBondContact OE2-CZ 3.41Å; I90-F122 HydrophobicContact CD1-CD1 4.2Å; I90-F122 HydrophobicContact CD1-CD2 3.62Å; I90-F122 HydrophobicContact CD1-CE1 4.03Å; I90-F122 HydrophobicContact CD1-CE2 3.45Å; I90-F122 VanDerWaalsContact CD1-CE2 3.45Å; I90-F122 HydrophobicContact CD1-CG 4.01Å; I90-F122 HydrophobicContact CD1-CZ 3.67Å; I90-F122 HydrophobicContact CG1-CD1 4.14Å; I90-F122 HydrophobicContact CG1-CD2 4.03Å; I90-F122 HydrophobicContact CG1-CE1 4.38Å; I90-F122 HydrophobicContact CG1-CE2 4.3Å; I90-F122 HydrophobicContact CG1-CG 3.96Å; I90-F122 HydrophobicContact CG1-CZ 4.48Å; T114-F122 PolarHBondContact N-O 2.8Å; T114-F122 PolarHBondContact O-N 3.01Å; T114-F122 PolarHBondContact OG1-N 3.07Å; T114-F122 VanDerWaalsContact OG1-N 3.1Å; T114-F122 PolarHBondContact OG1-O 2.96Å; F122-F124 HydrophobicContact CD1-CB 4.16Å; F122-F124 HydrophobicContact CE1-CB 4.08Å; F122-F124 HydrophobicContact CE1-CD2 4.26Å |
| 123 | L | 98.6 | Very high | 97.5 | Very high | 61 Ų | 61 | 52.3 Ų | 52.3 | 32% | 0.319 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 104.5 | 170.7 | -179.3 | 59.2 | 0 | 0 | 0 | 109 | K110 Q113 P125 | K110-L123 HydrophobicContact CB-CD2 4.15Å; Q113-L123 HydrophobicContact CB-CD1 4.11Å; Q113-L123 VanDerWaalsContact OE1-CB 3.31Å; L123-P125 WeakPolarHBondContact O-CD 2.98Å |
| 124 | F | 98.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 117.4 | 174.1 | -178.7 | -113.6 | 0 | 0 | 0 | 110 | L62 F76 E88 G111 F112 F122 R127 | L62-F124 HydrophobicContact CD1-CB 4.34Å; L62-F124 HydrophobicContact CD1-CD1 3.54Å; L62-F124 HydrophobicContact CD1-CE1 4.14Å; L62-F124 HydrophobicContact CD1-CG 4.18Å; F76-F124 HydrophobicContact CB-CB 4.49Å; F76-F124 HydrophobicContact CB-CD2 3.52Å; F76-F124 HydrophobicContact CB-CE2 3.79Å; F76-F124 HydrophobicContact CB-CG 4Å; F76-F124 HydrophobicContact CB-CZ 4.49Å; F76-F124 HydrophobicContact CD1-CB 3.74Å; F76-F124 HydrophobicContact CD1-CD2 4.35Å; F76-F124 HydrophobicContact CD1-CG 4.03Å; F76-F124 HydrophobicContact CE1-CB 4.3Å; F76-F124 HydrophobicContact CG-CB 4.36Å; F76-F124 HydrophobicContact CG-CD2 4.24Å; F76-F124 HydrophobicContact CG-CG 4.38Å; E88-F124 HydrophobicContact CB-CE2 4.5Å; E88-F124 HydrophobicContact CG-CE2 4.39Å; E88-F124 VanDerWaalsContact OE1-CE2 3.27Å; E88-F124 WeakPolarHBondContact OE1-CE2 3.44Å; G111-F124 CarbonylContact C-O 3.55Å; G111-F124 WeakPolarHBondContact CA-O 3.15Å; F112-F124 AromaticContact CD2-CD1 3.94Å; F112-F124 HydrophobicContact CD2-CD1 3.94Å; F112-F124 PolarHBondContact N-O 2.87Å; F112-F124 PolarHBondContact O-N 3.03Å; F122-F124 HydrophobicContact CD1-CB 4.16Å; F122-F124 HydrophobicContact CE1-CB 4.08Å; F122-F124 HydrophobicContact CE1-CD2 4.26Å; F124-R127 HydrophobicContact CZ-CG 4.27Å |
| 125 | P | 98.6 | Very high | 97.2 | Very high | 60 Ų | 60 | 55 Ų | 55 | 39% | 0.39 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.6 | 148.4 | -179.1 | -22.5 | 33.9 | 0 | 0 | 0 | 112.7 | L123 R127 | L123-P125 WeakPolarHBondContact O-CD 2.98Å; P125-R127 PolarHBondContact O-N 2.6Å |
| 126 | H | 98.2 | Very high | 97.2 | Very high | 55 Ų | 55 | 51.9 Ų | 51.9 | 26% | 0.255 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -65.4 | 126.1 | 174.8 | -65 | -46.1 | 0 | 0 | 0 | 110.6 | T108 G111 F112 V130 | T108-H126 PolarHBondContact O-NE2 2.97Å; G111-H126 VanDerWaalsContact CA-CE1 3.42Å; G111-H126 WeakPolarHBondContact CA-CE1 3.4Å; G111-H126 VanDerWaalsContact CA-NE2 3.35Å; G111-H126 WeakPolarHBondContact CA-NE2 3.27Å; G111-H126 PolarHBondContact N-NE2 2.91Å; F112-H126 AromaticContact CD2-CE1 3.94Å; F112-H126 AromaticContact CD2-ND1 3.57Å; F112-H126 AromaticContact CE1-CE1 3.94Å; F112-H126 AromaticContact CE2-CE1 3.79Å; F112-H126 AromaticContact CE2-ND1 3.17Å; F112-H126 WeakPolarHBondContact CE2-ND1 3.39Å; F112-H126 AromaticContact CZ-CE1 3.78Å; F112-H126 AromaticContact CZ-ND1 3.45Å; F112-H126 WeakPolarHBondContact CZ-ND1 3.42Å; H126-V130 WeakPolarHBondContact CE1-CG1 3.5Å; H126-V130 WeakPolarHBondContact ND1-CG1 3.46Å |
| 127 | R | 98.5 | Very high | 97.2 | Very high | 64 Ų | 64 | 52.9 Ų | 52.9 | 24% | 0.242 | 27% | 0.271 | C | S | . | . | trans | -110 | -19.7 | 172.8 | -57.4 | -175.3 | -177.3 | 178.1 | -1.2 | 113.3 | N77 M85 S86 E88 F124 P125 | N77-R127 PolarHBondContact OD1-NH1 3.12Å; N77-R127 VanDerWaalsContact OD1-NH1 3.12Å; M85-R127 HydrophobicContact CE-CB 4.43Å; M85-R127 HydrophobicContact SD-CB 4.05Å; S86-R127 VanDerWaalsContact O-CZ 3.27Å; S86-R127 PolarHBondContact O-NH1 3.18Å; S86-R127 PolarHBondContact O-NH2 2.71Å; E88-R127 IonicContact OE1-CZ 2.83Å; E88-R127 IonicContact OE1-NE 3.27Å; E88-R127 IonicContact OE1-NH2 3.57Å; E88-R127 PolarHBondContact OE1-NH2 2.93Å; F124-R127 HydrophobicContact CZ-CG 4.27Å; P125-R127 PolarHBondContact O-N 2.6Å | ||
| 128 | L | 97.8 | Very high | 97.2 | Very high | 14 Ų | 14 | 48.9 Ų | 48.9 | 7% | 0.073 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -125.3 | 156.3 | 174.4 | -62.1 | -176.8 | 0 | 0 | 0 | 109.8 | D59 A61 K80 V130 | D59-L128 HydrophobicContact CB-CD1 4.07Å; A61-L128 HydrophobicContact CB-CB 4.36Å; K80-L128 HydrophobicContact CB-CD2 4.11Å; K80-L128 HydrophobicContact CD-CD2 3.88Å; K80-L128 HydrophobicContact CG-CD2 3.89Å; L128-V130 PolarHBondContact O-N 3.34Å |
| 129 | P | 96.3 | Very high | 97.3 | Very high | 61 Ų | 61 | 46.4 Ų | 46.4 | 40% | 0.396 | 22% | 0.223 | S | C | . | . | trans | -61.7 | 126.2 | 177.1 | -20.8 | 33.3 | 0 | 0 | 0 | 111.5 | E131 Q132 | P129-E131 WeakPolarHBondContact CB-OE2 3.44Å; P129-E131 PolarHBondContact O-N 3.11Å; P129-Q132 HydrophobicContact CB-CG 4.17Å; P129-Q132 WeakPolarHBondContact O-CB 3.4Å; P129-Q132 PolarHBondContact O-N 3.25Å; P129-Q132 VanDerWaalsContact O-N 3.15Å | ||
| 130 | V | 94.3 | Very high | 97.3 | Very high | 7 Ų | 7 | 40.2 Ų | 40.2 | 4% | 0.042 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -64.7 | -27.4 | -178.3 | -62.1 | 0 | 0 | 0 | 0 | 111.9 | V27 V29 I107 F112 H126 L128 Q132 I133 | V27-V130 WeakPolarHBondContact CG2-O 3.21Å; V29-V130 HydrophobicContact CG2-CG2 4.46Å; I107-V130 HydrophobicContact CG2-CB 4.29Å; I107-V130 HydrophobicContact CG2-CG1 4.06Å; F112-V130 HydrophobicContact CZ-CG1 4.3Å; H126-V130 WeakPolarHBondContact CE1-CG1 3.5Å; H126-V130 WeakPolarHBondContact ND1-CG1 3.46Å; L128-V130 PolarHBondContact O-N 3.34Å; V130-Q132 PolarHBondContact O-N 3.15Å; V130-I133 HydrophobicContact CB-CD1 4.44Å; V130-I133 WeakPolarHBondContact O-CB 3.24Å; V130-I133 PolarHBondContact O-N 2.85Å; V130-I133 VanDerWaalsContact O-N 3.11Å |
| 131 | E | 92.9 | Very high | 97.3 | Very high | 117 Ų | 117 | 38.5 Ų | 38.5 | 55% | 0.547 | 20% | 0.196 | S | C | . | . | G | 310 helix | trans | -66.6 | -14.7 | 179.5 | -57.7 | 73.9 | -160.2 | 0 | 0 | 112.2 | P129 R134 | P129-E131 WeakPolarHBondContact CB-OE2 3.44Å; P129-E131 PolarHBondContact O-N 3.11Å; E131-R134 PolarHBondContact O-NH1 2.9Å; E131-R134 PolarHBondContact O-NH2 2.87Å |
| 132 | Q | 95.3 | Very high | 97.3 | Very high | 89 Ų | 89 | 38.5 Ų | 38.5 | 42% | 0.416 | 20% | 0.198 | S | C | . | . | G | 310 helix | trans | -85.9 | -13.5 | 176.1 | -67.7 | -178.6 | 4.3 | 0 | 0 | 113 | C52 P129 V130 R134 | C52-Q132 CarbonylContact C-O 3.58Å; C52-Q132 VanDerWaalsContact C-O 3.28Å; C52-Q132 WeakPolarHBondContact CA-O 3.26Å; C52-Q132 HydrophobicContact CB-CB 3.89Å; P129-Q132 HydrophobicContact CB-CG 4.17Å; P129-Q132 WeakPolarHBondContact O-CB 3.4Å; P129-Q132 PolarHBondContact O-N 3.25Å; P129-Q132 VanDerWaalsContact O-N 3.15Å; V130-Q132 PolarHBondContact O-N 3.15Å; Q132-R134 WeakPolarHBondContact O-CG 3.47Å; Q132-R134 PolarHBondContact O-N 3.18Å |
| 133 | I | 96.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 21% | 0.207 | C | C | . | . | trans | -67.4 | 124.8 | -176.8 | -63.9 | 165.6 | 0 | 0 | 0 | 110.1 | I23 V27 L50 L51 A61 F112 V130 | I23-I133 HydrophobicContact CD1-CG2 3.95Å; V27-I133 HydrophobicContact CG1-CG2 4.4Å; V27-I133 HydrophobicContact CG2-CB 3.64Å; V27-I133 HydrophobicContact CG2-CD1 3.97Å; V27-I133 HydrophobicContact CG2-CG1 4.37Å; V27-I133 HydrophobicContact CG2-CG2 3.91Å; L50-I133 HydrophobicContact CB-CD1 4.21Å; L50-I133 HydrophobicContact CB-CG1 4.43Å; L50-I133 HydrophobicContact CB-CG2 4.04Å; L50-I133 HydrophobicContact CD1-CD1 4.29Å; L51-I133 CarbonylContact O-C 3.51Å; L51-I133 VanDerWaalsContact O-CA 3.26Å; L51-I133 WeakPolarHBondContact O-CA 3.38Å; A61-I133 HydrophobicContact CB-CD1 3.71Å; A61-I133 HydrophobicContact CB-CG1 3.63Å; F112-I133 HydrophobicContact CE1-CD1 3.86Å; F112-I133 HydrophobicContact CZ-CD1 3.85Å; V130-I133 HydrophobicContact CB-CD1 4.44Å; V130-I133 WeakPolarHBondContact O-CB 3.24Å; V130-I133 PolarHBondContact O-N 2.85Å; V130-I133 VanDerWaalsContact O-N 3.11Å | ||
| 134 | R | 95.6 | Very high | 97.3 | Very high | 94 Ų | 94 | 36.2 Ų | 36.2 | 36% | 0.355 | 19% | 0.192 | S | C | . | . | trans | -130.7 | -17.3 | -175.8 | -66.1 | -67.2 | 173.8 | -84 | -6.2 | 114.3 | P22 I23 L51 E54 E131 Q132 | P22-R134 CarbonylContact C-O 3.28Å; I23-R134 PolarHBondContact N-O 3.31Å; L51-R134 PolarHBondContact O-N 2.93Å; E54-R134 HydrophobicContact CG-CB 3.98Å; E131-R134 PolarHBondContact O-NH1 2.9Å; E131-R134 PolarHBondContact O-NH2 2.87Å; Q132-R134 WeakPolarHBondContact O-CG 3.47Å; Q132-R134 PolarHBondContact O-N 3.18Å | ||
| 135 | A | 96.4 | Very high | 97.3 | Very high | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.008 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 157.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L20 G21 L51 G53 | L20-A135 HydrophobicContact CD1-CB 3.98Å; G21-A135 CarbonylContact O-C 3.32Å; G21-A135 VanDerWaalsContact O-CA 3.24Å; G21-A135 WeakPolarHBondContact O-CA 3.32Å; G21-A135 VanDerWaalsContact O-CB 3.32Å; G21-A135 WeakPolarHBondContact O-CB 3.32Å; L51-A135 HydrophobicContact CB-CB 4.23Å; L51-A135 HydrophobicContact CD1-CB 4.31Å; L51-A135 PolarHBondContact N-O 3.5Å; L51-A135 PolarHBondContact O-N 2.92Å; G53-A135 VanDerWaalsContact O-CB 3.29Å; G53-A135 WeakPolarHBondContact O-CB 3.48Å |
| 136 | I | 97.5 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 2% | 0.015 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 136.4 | 166.5 | -173.8 | 172.2 | 0 | 0 | 0 | 108.8 | Y19 L20 G21 I23 V33 I35 I48 N49 L50 V138 I147 | Y19-I136 HydrophobicContact CD1-CG2 4.45Å; Y19-I136 HydrophobicContact CE1-CG2 3.85Å; L20-I136 WeakPolarHBondContact CA-O 3.24Å; G21-I136 PolarHBondContact N-O 2.91Å; G21-I136 PolarHBondContact O-N 2.86Å; I23-I136 HydrophobicContact CD1-CB 4.43Å; V33-I136 HydrophobicContact CG1-CD1 3.85Å; I35-I136 HydrophobicContact CD1-CD1 3.94Å; I48-I136 HydrophobicContact CG2-CD1 4.05Å; I48-I136 HydrophobicContact CG2-CG1 4.2Å; N49-I136 WeakPolarHBondContact O-CA 3.34Å; L50-I136 HydrophobicContact CD2-CB 4.47Å; L50-I136 HydrophobicContact CD2-CG1 4.32Å; I136-V138 HydrophobicContact CD1-CG2 4.43Å; I136-V138 HydrophobicContact CG1-CG2 4.33Å; I136-I147 HydrophobicContact CD1-CG2 4Å |
| 137 | Q | 98.3 | Very high | 97.2 | Very high | 26 Ų | 26 | 35 Ų | 35 | 12% | 0.121 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 133.1 | 172.6 | 174.4 | -171.2 | 72.5 | 0 | 0 | 109.7 | Y19 L20 I48 N49 L51 | Y19-Q137 CarbonylContact O-C 3.52Å; Y19-Q137 VanDerWaalsContact O-CA 3.24Å; Y19-Q137 WeakPolarHBondContact O-CA 3.28Å; L20-Q137 HydrophobicContact CD1-CB 4.09Å; I48-Q137 CarbonylContact C-O 3.59Å; I48-Q137 WeakPolarHBondContact CA-O 3.41Å; N49-Q137 HydrophobicContact CB-CB 4.19Å; N49-Q137 PolarHBondContact N-O 2.91Å; N49-Q137 PolarHBondContact ND2-OE1 2.93Å; N49-Q137 PolarHBondContact O-N 2.87Å; L51-Q137 HydrophobicContact CD1-CB 3.9Å; L51-Q137 HydrophobicContact CG-CB 4.32Å |
| 138 | V | 98.6 | Very high | 97 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.6 | 175.9 | -171 | 0 | 0 | 0 | 0 | 109 | I17 P18 Y19 R47 I48 I136 V142 I144 I147 | I17-V138 HydrophobicContact CD1-CB 4.11Å; I17-V138 HydrophobicContact CD1-CG1 3.99Å; P18-V138 WeakPolarHBondContact CA-O 3.26Å; Y19-V138 HydrophobicContact CD1-CG2 4.39Å; Y19-V138 PolarHBondContact N-O 3.13Å; Y19-V138 PolarHBondContact O-N 2.88Å; R47-V138 WeakPolarHBondContact O-CA 3.32Å; I48-V138 HydrophobicContact CG1-CG1 4.13Å; I48-V138 HydrophobicContact CG1-CG2 4.21Å; I136-V138 HydrophobicContact CD1-CG2 4.43Å; I136-V138 HydrophobicContact CG1-CG2 4.33Å; V138-V142 HydrophobicContact CG1-CG1 3.79Å; V138-I144 HydrophobicContact CG1-CD1 4.2Å; V138-I144 HydrophobicContact CG1-CG1 4Å; V138-I147 HydrophobicContact CG2-CD1 4.1Å |
| 139 | S | 98.4 | Very high | 96.7 | Very high | 5 Ų | 5 | 33.2 Ų | 33.2 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -158 | 162.5 | -176.7 | -60.6 | 0 | 0 | 0 | 0 | 112.2 | F46 R47 | F46-S139 CarbonylContact C-O 3.52Å; F46-S139 WeakPolarHBondContact CA-O 3.37Å; R47-S139 PolarHBondContact N-O 3.24Å; R47-S139 VanDerWaalsContact NH2-CB 3.33Å; R47-S139 PolarHBondContact O-N 3.48Å |
| 140 | G | 98.2 | Very high | 96.3 | Very high | 32 Ų | 32 | 32.4 Ų | 32.4 | 33% | 0.33 | 17% | 0.17 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 91 | -163.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | R45 V142 | R45-G140 WeakPolarHBondContact O-CA 3.48Å; G140-V142 PolarHBondContact O-N 2.84Å |
| 141 | D | 98.3 | Very high | 95.5 | Very high | 60 Ų | 60 | 33.4 Ų | 33.4 | 32% | 0.321 | 18% | 0.182 | S | C | . | . | S | Bend | trans | -83.7 | 84.8 | -169 | -34.3 | -52.9 | 0 | 0 | 0 | 110.1 | P40 I43 T44 R45 | P40-D141 VanDerWaalsContact CD-O 3.31Å; P40-D141 WeakPolarHBondContact CD-O 3.47Å; P40-D141 HydrophobicContact CG-CB 4.48Å; I43-D141 HydrophobicContact CB-CB 4.29Å; I43-D141 WeakPolarHBondContact CD1-O 3.49Å; I43-D141 HydrophobicContact CG1-CB 4.03Å; T44-D141 WeakPolarHBondContact CA-OD2 3.44Å; T44-D141 WeakPolarHBondContact CB-OD2 3.49Å; T44-D141 PolarHBondContact N-OD2 2.88Å; R45-D141 PolarHBondContact N-OD2 2.82Å; R45-D141 PolarHBondContact O-N 3.44Å |
| 142 | V | 98.6 | Very high | 94 | Very high | 13 Ų | 13 | 28 Ų | 28 | 8% | 0.079 | 16% | 0.158 | C | C | . | . | trans | -151.7 | 144.1 | 179.1 | 65.1 | 0 | 0 | 0 | 0 | 110.3 | I17 F46 F101 V138 G140 I144 | I17-V142 HydrophobicContact CG1-CG1 4.49Å; I17-V142 HydrophobicContact CG2-CG1 4.46Å; F46-V142 HydrophobicContact CB-CB 3.72Å; F46-V142 HydrophobicContact CB-CG1 3.83Å; F46-V142 HydrophobicContact CD1-CB 4.22Å; F46-V142 HydrophobicContact CD1-CG2 4.45Å; F46-V142 HydrophobicContact CD2-CB 4.22Å; F46-V142 HydrophobicContact CD2-CG1 4.34Å; F46-V142 HydrophobicContact CD2-CG2 4.3Å; F46-V142 HydrophobicContact CG-CB 3.82Å; F46-V142 HydrophobicContact CG-CG1 4.21Å; F46-V142 HydrophobicContact CG-CG2 4.24Å; F101-V142 HydrophobicContact CE1-CG2 3.8Å; F101-V142 HydrophobicContact CZ-CG2 3.83Å; V138-V142 HydrophobicContact CG1-CG1 3.79Å; G140-V142 PolarHBondContact O-N 2.84Å; V142-I144 HydrophobicContact CG1-CD1 4.32Å; V142-I144 HydrophobicContact CG1-CG1 4.36Å; V142-I144 HydrophobicContact CG2-CD1 3.72Å; V142-I144 HydrophobicContact CG2-CG1 4.41Å | ||
| 143 | S | 98.3 | Very high | 92.2 | Very high | 57 Ų | 57 | 25.5 Ų | 25.5 | 40% | 0.399 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.5 | 165.8 | -175 | 0 | 0 | 0 | 0 | 108.8 | G37 S38 | G37-S143 CarbonylContact C-O 3.51Å; G37-S143 WeakPolarHBondContact CA-O 3.35Å; S38-S143 PolarHBondContact N-O 3.4Å; S38-S143 PolarHBondContact O-N 3.38Å |
| 144 | I | 98.5 | Very high | 89.8 | Confident | 3 Ų | 3 | 27.3 Ų | 27.3 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 123.9 | -179.8 | -59.7 | -61.8 | 0 | 0 | 0 | 108.3 | N14 P15 I17 I35 F101 V138 V142 I147 | N14-I144 WeakPolarHBondContact CA-O 3.27Å; P15-I144 WeakPolarHBondContact CD-O 3.49Å; P15-I144 HydrophobicContact CG-CB 4.01Å; P15-I144 HydrophobicContact CG-CG2 3.85Å; I17-I144 HydrophobicContact CD1-CB 4.41Å; I17-I144 HydrophobicContact CD1-CG1 3.86Å; I17-I144 HydrophobicContact CG1-CG1 4.49Å; I35-I144 HydrophobicContact CG2-CD1 3.71Å; I35-I144 HydrophobicContact CG2-CG2 4.34Å; F101-I144 HydrophobicContact CZ-CD1 4.18Å; V138-I144 HydrophobicContact CG1-CD1 4.2Å; V138-I144 HydrophobicContact CG1-CG1 4Å; V142-I144 HydrophobicContact CG1-CD1 4.32Å; V142-I144 HydrophobicContact CG1-CG1 4.36Å; V142-I144 HydrophobicContact CG2-CD1 3.72Å; V142-I144 HydrophobicContact CG2-CG1 4.41Å; I144-I147 HydrophobicContact CG2-CD1 4.1Å; I144-I147 HydrophobicContact CG2-CG1 3.61Å |
| 145 | Q | 98.4 | Very high | 87.3 | Confident | 60 Ų | 60 | 26.1 Ų | 26.1 | 28% | 0.28 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -38.2 | 173.7 | -62.6 | 85 | 33 | 0 | 0 | 111.4 | Y13 N14 Q36 G37 S38 | Y13-Q145 WeakPolarHBondContact CA-O 3.43Å; N14-Q145 PolarHBondContact N-O 2.69Å; Q36-Q145 PolarHBondContact O-N 3.39Å; Q36-Q145 PolarHBondContact O-OE1 3.3Å; G37-Q145 PolarHBondContact O-OE1 3.37Å; S38-Q145 PolarHBondContact OG-NE2 2.97Å |
| 146 | T | 97.8 | Very high | 84.5 | Confident | 24 Ų | 24 | 29.7 Ų | 29.7 | 15% | 0.147 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 138.6 | -178.9 | -56.7 | 0 | 0 | 0 | 0 | 112 | P11 V12 Y13 I35 Q36 N148 | P11-T146 HydrophobicContact CB-CG2 3.88Å; V12-T146 CarbonylContact O-C 3.55Å; V12-T146 VanDerWaalsContact O-CA 3.26Å; V12-T146 WeakPolarHBondContact O-CA 3.17Å; Y13-T146 HydrophobicContact CD1-CG2 4.2Å; Y13-T146 WeakPolarHBondContact CD1-OG1 3.36Å; Y13-T146 HydrophobicContact CE1-CG2 4Å; I35-T146 WeakPolarHBondContact CA-O 3.44Å; Q36-T146 PolarHBondContact N-O 3.05Å; Q36-T146 PolarHBondContact O-N 2.81Å; Q36-T146 VanDerWaalsContact O-N 3.17Å; T146-N148 HydrophobicContact CG2-CB 4.5Å |
| 147 | I | 96.8 | Very high | 81.6 | Confident | 5 Ų | 5 | 33 Ų | 33 | 3% | 0.026 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 125.2 | 164.3 | -54.8 | 173.9 | 0 | 0 | 0 | 107.1 | P11 V12 P15 Y19 V33 Y34 I35 I136 V138 I144 | P11-I147 CarbonylContact C-O 3.57Å; P11-I147 VanDerWaalsContact CA-O 3.31Å; P11-I147 WeakPolarHBondContact CA-O 3.21Å; V12-I147 HydrophobicContact CB-CB 4.32Å; V12-I147 PolarHBondContact N-O 3.36Å; V12-I147 PolarHBondContact O-N 2.77Å; P15-I147 HydrophobicContact CG-CD1 4.19Å; Y19-I147 HydrophobicContact CD1-CD1 3.56Å; Y19-I147 HydrophobicContact CE1-CD1 3.58Å; Y19-I147 HydrophobicContact CG-CD1 4.44Å; V33-I147 HydrophobicContact CG1-CG2 4.48Å; Y34-I147 CarbonylContact O-C 3.54Å; Y34-I147 WeakPolarHBondContact O-CA 3.32Å; I35-I147 HydrophobicContact CG1-CG1 4.49Å; I35-I147 HydrophobicContact CG1-CG2 4.4Å; I136-I147 HydrophobicContact CD1-CG2 4Å; V138-I147 HydrophobicContact CG2-CD1 4.1Å; I144-I147 HydrophobicContact CG2-CD1 4.1Å; I144-I147 HydrophobicContact CG2-CG1 3.61Å |
| 148 | N | 94.1 | Very high | 78.8 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 13% | 0.128 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 142.9 | 178.3 | -172.9 | 22 | 0 | 0 | 0 | 110.3 | P11 Y34 T146 | P11-N148 HydrophobicContact CB-CB 4.19Å; P11-N148 HydrophobicContact CG-CB 4.37Å; Y34-N148 PolarHBondContact N-O 3.08Å; Y34-N148 PolarHBondContact O-N 2.96Å; T146-N148 HydrophobicContact CG2-CB 4.5Å |
| 149 | I | 91.3 | Very high | 76.1 | Confident | 17 Ų | 17 | 43.6 Ų | 43.6 | 9% | 0.087 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 120.1 | -179.9 | -55.3 | 178.8 | 0 | 0 | 0 | 107.7 | Y9 I23 S32 A152 | Y9-I149 WeakPolarHBondContact CB-O 3.29Å; Y9-I149 HydrophobicContact CD1-CB 3.93Å; Y9-I149 HydrophobicContact CD1-CG2 4.11Å; Y9-I149 HydrophobicContact CE1-CG2 4.24Å; I23-I149 HydrophobicContact CB-CD1 4.03Å; I23-I149 HydrophobicContact CD1-CD1 3.94Å; I23-I149 HydrophobicContact CG1-CD1 3.54Å; I23-I149 HydrophobicContact CG2-CD1 3.61Å; I23-I149 HydrophobicContact CG2-CG2 4.41Å; S32-I149 WeakPolarHBondContact O-CA 3.41Å; I149-A152 HydrophobicContact CG2-CB 3.41Å; I149-A152 VanDerWaalsContact CG2-CB 3.41Å |
| 150 | I | 87.4 | Confident | 73.4 | Confident | 43 Ų | 43 | 49.3 Ų | 49.3 | 22% | 0.221 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 136.5 | -175.7 | -54.8 | -175.8 | 0 | 0 | 0 | 109 | F3 A31 S32 Y34 A152 | F3-I150 HydrophobicContact CE1-CD1 3.89Å; F3-I150 HydrophobicContact CE1-CG1 4.2Å; F3-I150 HydrophobicContact CE1-CG2 4.38Å; F3-I150 HydrophobicContact CZ-CD1 4Å; F3-I150 HydrophobicContact CZ-CG1 4.37Å; F3-I150 HydrophobicContact CZ-CG2 3.74Å; A31-I150 CarbonylContact C-O 3.58Å; A31-I150 VanDerWaalsContact CA-O 3.28Å; A31-I150 WeakPolarHBondContact CA-O 3.43Å; S32-I150 PolarHBondContact N-O 2.99Å; S32-I150 PolarHBondContact O-N 3.21Å; Y34-I150 HydrophobicContact CD2-CB 4.3Å; Y34-I150 HydrophobicContact CD2-CD1 3.56Å; Y34-I150 HydrophobicContact CD2-CG1 3.79Å; Y34-I150 HydrophobicContact CE2-CB 4.07Å; Y34-I150 HydrophobicContact CE2-CD1 3.48Å; Y34-I150 VanDerWaalsContact CE2-CD1 3.48Å; Y34-I150 HydrophobicContact CE2-CG1 3.92Å; Y34-I150 HydrophobicContact CG-CD1 4.35Å; I150-A152 PolarHBondContact O-N 2.82Å |
| 151 | G | 78.4 | Confident | 70.6 | Confident | 28 Ų | 28 | 51.1 Ų | 51.1 | 29% | 0.289 | 39% | 0.385 | S | S | . | . | S | Bend | trans | 70.8 | 11.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | R28 A31 | R28-G151 PolarHBondContact NH1-O 3.18Å; R28-G151 PolarHBondContact NH2-O 2.92Å; A31-G151 WeakPolarHBondContact CB-O 3.17Å |
| 152 | A | 62.1 | Low | 67.8 | Low | 5 Ų | 5 | 51.7 Ų | 51.7 | 4% | 0.041 | 41% | 0.405 | C | S | . | . | S | Bend | trans | -67.8 | 162.5 | 165.4 | 0 | 0 | 0 | 0 | 0 | 110 | Y9 G26 V27 R28 A31 I149 I150 G154 | Y9-A152 HydrophobicContact CD1-CB 4.15Å; Y9-A152 HydrophobicContact CD2-CB 4.45Å; Y9-A152 HydrophobicContact CE1-CB 3.4Å; Y9-A152 HydrophobicContact CE2-CB 3.75Å; Y9-A152 VanDerWaalsContact OH-C 3.28Å; Y9-A152 WeakPolarHBondContact OH-CB 3.48Å; G26-A152 WeakPolarHBondContact O-CB 3.43Å; V27-A152 HydrophobicContact CG1-CB 4.5Å; R28-A152 PolarHBondContact NH1-O 2.75Å; A31-A152 HydrophobicContact CB-CB 4.35Å; I149-A152 HydrophobicContact CG2-CB 3.41Å; I149-A152 VanDerWaalsContact CG2-CB 3.41Å; I150-A152 PolarHBondContact O-N 2.82Å; A152-G154 VanDerWaalsContact C-N 3.31Å; A152-G154 PolarHBondContact O-N 2.91Å |
| 153 | A | 56.3 | Low | 65.1 | Low | 35 Ų | 35 | 58.4 Ų | 58.4 | 29% | 0.289 | 45% | 0.446 | S | S | . | . | trans | -68.9 | 90.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | Y9 G26 R28 G155 | Y9-A153 VanDerWaalsContact OH-C 3.25Å; Y9-A153 PolarHBondContact OH-N 3.33Å; Y9-A153 PolarHBondContact OH-O 3.15Å; G26-A153 PolarHBondContact O-N 3.01Å; R28-A153 VanDerWaalsContact NH1-N 3.15Å; A153-G155 PolarHBondContact O-N 2.97Å; A153-G155 VanDerWaalsContact O-N 3.13Å | ||
| 154 | G | 46.4 | Very low | 62.2 | Low | 38 Ų | 38 | 59.1 Ų | 59.1 | 39% | 0.392 | 46% | 0.463 | S | S | . | . | trans | -52.9 | 120.5 | 161 | 0 | 0 | 0 | 0 | 0 | 106.7 | A152 G156 | A152-G154 VanDerWaalsContact C-N 3.31Å; A152-G154 PolarHBondContact O-N 2.91Å; G154-G156 PolarHBondContact O-N 3.21Å | ||
| 155 | G | 42.8 | Very low | 59.2 | Low | 70 Ų | 70 | 62 Ų | 62 | 72% | 0.722 | 49% | 0.493 | S | S | * | . | trans | -46.1 | 118.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | A153 G157 | A153-G155 PolarHBondContact O-N 2.97Å; A153-G155 VanDerWaalsContact O-N 3.13Å; G155-G157 PolarHBondContact O-N 2.75Å | ||
| 156 | G | 37.9 | Very low | 56.1 | Low | 76 Ų | 76 | 62.9 Ų | 62.9 | 78% | 0.784 | 52% | 0.518 | S | S | * | . | trans | -54.9 | 105.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 105 | G154 A158 | G154-G156 PolarHBondContact O-N 3.21Å; G156-A158 PolarHBondContact O-N 2.75Å | ||
| 157 | G | 36.4 | Very low | 53.3 | Low | 73 Ų | 73 | 72.3 Ų | 72.3 | 75% | 0.753 | 55% | 0.553 | S | S | * | * | trans | -61 | 87.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 106.5 | G155 L159 | G155-G157 PolarHBondContact O-N 2.75Å; G157-L159 PolarHBondContact O-N 3.11Å | ||
| 158 | A | 39.5 | Very low | 50.6 | Low | 93 Ų | 93 | 78.3 Ų | 78.3 | 77% | 0.769 | 59% | 0.592 | S | S | * | * | trans | -65.3 | 95.4 | 154 | 0 | 0 | 0 | 0 | 0 | 104.5 | G156 | G156-A158 PolarHBondContact O-N 2.75Š| ||
| 159 | L | 43 | Very low | 47.8 | Very low | 155 Ų | 155 | 80.9 Ų | 80.9 | 81% | 0.812 | 62% | 0.624 | S | S | * | * | trans | -46.6 | 129.6 | 156.2 | -68.6 | 167.3 | 0 | 0 | 0 | 106 | G157 G161 | G157-L159 PolarHBondContact O-N 3.11Å; L159-G161 VanDerWaalsContact C-N 3.32Å; L159-G161 PolarHBondContact O-N 2.83Å | ||
| 160 | P | 42 | Very low | 45 | Very low | 124 Ų | 124 | 84 Ų | 84 | 81% | 0.805 | 66% | 0.66 | S | S | * | * | trans | -59.9 | 107.7 | 167 | 23.6 | -27.3 | 0 | 0 | 0 | 105.3 | G162 | P160-G162 VanDerWaalsContact C-N 3.33Å; P160-G162 PolarHBondContact O-N 2.83Å | ||
| 161 | G | 38.5 | Very low | 42.5 | Very low | 70 Ų | 70 | 89.5 Ų | 89.5 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | trans | -54.6 | 104 | 172.8 | 0 | 0 | 0 | 0 | 0 | 106.7 | L159 T163 | L159-G161 VanDerWaalsContact C-N 3.32Å; L159-G161 PolarHBondContact O-N 2.83Å; G161-T163 PolarHBondContact O-N 2.79Å; G161-T163 VanDerWaalsContact O-N 3.1Å | ||
| 162 | G | 38.4 | Very low | 40.6 | Very low | 72 Ų | 72 | 96.9 Ų | 96.9 | 74% | 0.742 | 72% | 0.72 | S | S | * | * | trans | -56 | 117.3 | 168.8 | 0 | 0 | 0 | 0 | 0 | 107 | P160 G164 | P160-G162 VanDerWaalsContact C-N 3.33Å; P160-G162 PolarHBondContact O-N 2.83Å; G162-G164 PolarHBondContact O-N 3.1Å | ||
| 163 | T | 43.8 | Very low | 39.3 | Very low | 154 Ų | 154 | 99.8 Ų | 99.8 | 95% | 0.945 | 75% | 0.75 | S | S | * | * | trans | -63.9 | 78.3 | 162.2 | 29.2 | 0 | 0 | 0 | 0 | 107.9 | G161 | G161-T163 PolarHBondContact O-N 2.79Å; G161-T163 VanDerWaalsContact O-N 3.1Å | ||
| 164 | G | 36.7 | Very low | 38.4 | Very low | 73 Ų | 73 | 103.9 Ų | 103.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | -97 | 97.7 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | G162 | G162-G164 PolarHBondContact O-N 3.1Š| ||
| 165 | G | 35.8 | Very low | 37.8 | Very low | 62 Ų | 62 | 108.6 Ų | 108.6 | 64% | 0.639 | 80% | 0.796 | S | S | * | * | trans | 27.6 | 111.7 | 151.1 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 166 | G | 31.8 | Very low | 37.6 | Very low | 80 Ų | 80 | 111.2 Ų | 111.2 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -64.6 | 133.9 | 152.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 167 | Y | 38.8 | Very low | 37.2 | Very low | 222 Ų | 222 | 117.7 Ų | 117.7 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -111.5 | 136.3 | 153.8 | -73.2 | -78.8 | 0 | 0 | 0 | 108 | ||||
| 168 | P | 42 | Very low | 37.2 | Very low | 131 Ų | 131 | 120.6 Ų | 120.6 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | -134.7 | 148.5 | 122.1 | 35.6 | -24.5 | 0 | 0 | 0 | 111.8 | |||||
| 169 | G | 33.8 | Very low | 37.2 | Very low | 78 Ų | 78 | 124 Ų | 124 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | trans | 119.8 | 91 | 153.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 170 | G | 33 | Very low | 37.1 | Very low | 82 Ų | 82 | 122 Ų | 122 | 85% | 0.845 | 79% | 0.792 | S | S | * | * | trans | 43 | 116.8 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 171 | N | 34.7 | Very low | 37.1 | Very low | 158 Ų | 158 | 123.2 Ų | 123.2 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | -155.4 | 141.1 | 116.2 | -149.4 | 1.6 | 0 | 0 | 0 | 110.9 | |||||
| 172 | M | 39.3 | Very low | 36.8 | Very low | 184 Ų | 184 | 130.8 Ų | 130.8 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | -74 | 136.5 | -177.3 | -58.6 | -173.3 | -73.1 | 0 | 0 | 110.2 | ||||
| 173 | G | 34.2 | Very low | 36.9 | Very low | 66 Ų | 66 | 139.4 Ų | 139.4 | 68% | 0.68 | 82% | 0.82 | S | S | * | * | trans | -168.8 | 66.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 174 | V | 37.9 | Very low | 36.5 | Very low | 121 Ų | 121 | 138.7 Ų | 138.7 | 73% | 0.733 | 81% | 0.814 | S | S | * | * | trans | 15.7 | 106.1 | 147.2 | -170.1 | 0 | 0 | 0 | 0 | 116.8 | I176 | V174-I176 HydrophobicContact CG1-CD1 3.55Å; V174-I176 HydrophobicContact CG1-CG1 3.53Å | ||
| 175 | C | 34.3 | Very low | 36.5 | Very low | 136 Ų | 136 | 142.2 Ų | 142.2 | 92% | 0.919 | 82% | 0.817 | S | S | * | * | trans | -130.6 | 129.2 | 148.9 | -80.7 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 176 | I | 37 | Very low | 36.6 | Very low | 125 Ų | 125 | 146.6 Ų | 146.6 | 64% | 0.641 | 83% | 0.827 | S | S | * | * | trans | -106.7 | 134.6 | -157.2 | -72 | 172.1 | 0 | 0 | 0 | 108.1 | V174 | V174-I176 HydrophobicContact CG1-CD1 3.55Å; V174-I176 HydrophobicContact CG1-CG1 3.53Å | ||
| 177 | Y | 31.2 | Very low | 36.8 | Very low | 212 Ų | 212 | 150.5 Ų | 150.5 | 83% | 0.831 | 83% | 0.827 | S | S | * | * | trans | 67.1 | 151.6 | 153.7 | -78.6 | -125.8 | 0 | 0 | 0 | 118.8 | ||||
| 178 | N | 34.8 | Very low | 36.7 | Very low | 134 Ų | 134 | 146.1 Ų | 146.1 | 72% | 0.717 | 82% | 0.824 | S | S | * | * | cis | -169.3 | 146.2 | -20.5 | -174.9 | 13 | 0 | 0 | 0 | 104.1 | ||||
| 179 | Q | 40.9 | Very low | 36.4 | Very low | 165 Ų | 165 | 147.1 Ų | 147.1 | 77% | 0.771 | 82% | 0.822 | S | S | * | * | trans | -72.7 | 140.7 | 172.5 | -75.2 | -180 | -23.5 | 0 | 0 | 110.6 | ||||
| 180 | S | 39.3 | Very low | 36.6 | Very low | 113 Ų | 113 | 152 Ų | 152 | 79% | 0.79 | 82% | 0.824 | S | S | * | * | trans | 41.5 | 117.6 | 139.3 | -48.4 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 181 | I | 43.1 | Very low | 36.8 | Very low | 150 Ų | 150 | 157.4 Ų | 157.4 | 77% | 0.769 | 82% | 0.822 | S | S | * | * | trans | -118.2 | 109.3 | 153.2 | -56.1 | 179 | 0 | 0 | 0 | 108.2 | ||||
| 182 | Y | 32.3 | Very low | 37 | Very low | 228 Ų | 228 | 157.3 Ų | 157.3 | 89% | 0.894 | 82% | 0.82 | S | S | * | * | trans | -108.6 | 130.5 | 142 | -92 | -85.8 | 0 | 0 | 0 | 105.8 | ||||
| 183 | Q | 39.7 | Very low | 36.8 | Very low | 254 Ų | 254 | 154.9 Ų | 154.9 | 100% | 1.187 | 81% | 0.812 | S | S | * | * | trans | 77.9 | 0 | 177.7 | -54 | -167.1 | 27.3 | 0 | 0 | 117 |
Retrieved 183 of 183 residues in 343.5 ms
(Link to these results)