| 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 | 55 | Low | 47.8 | Very low | 241 Ų | 241 | 137.1 Ų | 137.1 | 100% | 1.187 | 77% | 0.773 | S | S | * | * | 0 | 95.3 | 0 | -74.5 | 171 | 167.3 | 0 | 0 | 106.1 | S3 | M1-S3 PolarHBondContact O-N 2.96Š| |||
| 2 | S | 49.5 | Very low | 49.1 | Very low | 124 Ų | 124 | 127.6 Ų | 127.6 | 87% | 0.867 | 72% | 0.724 | S | S | * | * | trans | -85.1 | 112.9 | -170.5 | -47.7 | 0 | 0 | 0 | 0 | 108.7 | V4 | S2-V4 PolarHBondContact O-N 3.42Š| ||
| 3 | S | 52.1 | Low | 51 | Low | 114 Ų | 114 | 119.6 Ų | 119.6 | 80% | 0.797 | 68% | 0.679 | S | S | * | * | trans | -62.3 | 124.1 | 175.3 | -59.4 | 0 | 0 | 0 | 0 | 109.5 | M1 E5 | M1-S3 PolarHBondContact O-N 2.96Å; S3-E5 PolarHBondContact O-N 3.49Å | ||
| 4 | V | 54.8 | Low | 53.2 | Low | 128 Ų | 128 | 113.3 Ų | 113.3 | 78% | 0.776 | 64% | 0.644 | S | S | * | * | trans | -59.3 | 118.4 | 170.6 | -85.7 | 0 | 0 | 0 | 0 | 109.6 | S2 F6 | S2-V4 PolarHBondContact O-N 3.42Å; V4-F6 PolarHBondContact O-N 3.25Å | ||
| 5 | E | 41.3 | Very low | 55.3 | Low | 195 Ų | 195 | 110.3 Ų | 110.3 | 91% | 0.911 | 62% | 0.622 | S | S | * | * | trans | -71.8 | 111 | 167.9 | -67.2 | -166 | 124.8 | 0 | 0 | 108.4 | S3 C7 | S3-E5 PolarHBondContact O-N 3.49Å; E5-C7 PolarHBondContact O-N 3.4Å | ||
| 6 | F | 40.3 | Very low | 57.5 | Low | 195 Ų | 195 | 110.7 Ų | 110.7 | 86% | 0.855 | 61% | 0.611 | S | S | * | * | trans | -69.2 | 107.1 | 165.6 | -106 | -99.5 | 0 | 0 | 0 | 107.5 | V4 D8 | V4-F6 PolarHBondContact O-N 3.25Å; F6-D8 PolarHBondContact O-N 3.28Å | ||
| 7 | C | 40.9 | Very low | 59.4 | Low | 101 Ų | 101 | 106.5 Ų | 106.5 | 68% | 0.682 | 59% | 0.589 | S | S | * | * | trans | -61.9 | 103.2 | 164.3 | 178.2 | 0 | 0 | 0 | 0 | 107.6 | E5 S9 | E5-C7 PolarHBondContact O-N 3.4Å; C7-S9 PolarHBondContact O-N 3.28Å; C7-S9 PolarHBondContact O-OG 2.82Å | ||
| 8 | D | 37.1 | Very low | 61.1 | Low | 127 Ų | 127 | 111.9 Ų | 111.9 | 68% | 0.679 | 61% | 0.609 | S | S | * | * | trans | -59.7 | 91.5 | 163.4 | -174.4 | 61.5 | 0 | 0 | 0 | 107.1 | F6 T10 | F6-D8 PolarHBondContact O-N 3.28Å; D8-T10 PolarHBondContact O-N 2.88Å; D8-T10 PolarHBondContact O-OG1 2.99Å; D8-T10 WeakPolarHBondContact OD2-CG2 3.15Å; D8-T10 PolarHBondContact OD2-OG1 2.95Å | ||
| 9 | S | 42.3 | Very low | 62.8 | Low | 97 Ų | 97 | 112.5 Ų | 112.5 | 68% | 0.678 | 61% | 0.612 | S | S | * | * | trans | -77.6 | 72.1 | 176.4 | -54.5 | 0 | 0 | 0 | 0 | 106.3 | C7 D11 | C7-S9 PolarHBondContact O-N 3.28Å; C7-S9 PolarHBondContact O-OG 2.82Å; S9-D11 PolarHBondContact O-N 2.76Å | ||
| 10 | T | 49.4 | Very low | 64.3 | Low | 95 Ų | 95 | 108.1 Ų | 108.1 | 58% | 0.583 | 59% | 0.594 | S | S | * | * | trans | -64.1 | 99.2 | 178.5 | -3.8 | 0 | 0 | 0 | 0 | 107.4 | D8 A12 | D8-T10 PolarHBondContact O-N 2.88Å; D8-T10 PolarHBondContact O-OG1 2.99Å; D8-T10 WeakPolarHBondContact OD2-CG2 3.15Å; D8-T10 PolarHBondContact OD2-OG1 2.95Å; T10-A12 PolarHBondContact O-N 2.95Å | ||
| 11 | D | 62.6 | Low | 65.8 | Low | 91 Ų | 91 | 106.5 Ų | 106.5 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | trans | -51.3 | 116.2 | 180 | -171.2 | -26.6 | 0 | 0 | 0 | 108.4 | S9 N13 V14 | S9-D11 PolarHBondContact O-N 2.76Å; D11-N13 PolarHBondContact O-N 3.23Å; D11-N13 VanDerWaalsContact OD1-CB 3.3Å; D11-N13 WeakPolarHBondContact OD1-CB 3.25Å; D11-N13 PolarHBondContact OD1-N 2.77Å; D11-N13 VanDerWaalsContact OD1-N 3.08Å; D11-N13 PolarHBondContact OD1-ND2 3.41Å; D11-V14 HydrophobicContact CB-CG2 4.05Å; D11-V14 PolarHBondContact O-N 2.94Å | ||
| 12 | A | 64.4 | Low | 67.7 | Low | 23 Ų | 23 | 95 Ų | 95 | 19% | 0.19 | 52% | 0.523 | C | S | . | . | G | 310 helix | trans | -55.4 | -24.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | T10 V14 Q15 T130 V132 | T10-A12 PolarHBondContact O-N 2.95Å; A12-V14 PolarHBondContact O-N 3.11Å; A12-Q15 PolarHBondContact O-N 3.21Å; A12-T130 PolarHBondContact O-OG1 2.87Å; A12-V132 HydrophobicContact CB-CG2 4.14Å |
| 13 | N | 72.9 | Confident | 69.8 | Low | 24 Ų | 24 | 93.2 Ų | 93.2 | 13% | 0.128 | 50% | 0.501 | C | S | . | . | G | 310 helix | trans | -67.3 | -18.2 | 176.3 | -62.3 | -46.1 | 0 | 0 | 0 | 114.3 | D11 W75 L125 T129 T130 | D11-N13 PolarHBondContact O-N 3.23Å; D11-N13 VanDerWaalsContact OD1-CB 3.3Å; D11-N13 WeakPolarHBondContact OD1-CB 3.25Å; D11-N13 PolarHBondContact OD1-N 2.77Å; D11-N13 VanDerWaalsContact OD1-N 3.08Å; D11-N13 PolarHBondContact OD1-ND2 3.41Å; N13-W75 WeakPolarHBondContact O-CZ2 3.42Å; N13-W75 PolarHBondContact O-NE1 3.45Å; N13-L125 WeakPolarHBondContact O-CD2 3.46Å; N13-T129 VanDerWaalsContact OD1-C 3.27Å; N13-T129 VanDerWaalsContact OD1-CA 3.27Å; N13-T129 WeakPolarHBondContact OD1-CA 3.48Å; N13-T130 WeakPolarHBondContact OD1-CG2 3.17Å; N13-T130 PolarHBondContact OD1-N 3.26Å; N13-T130 PolarHBondContact OD1-OG1 3.49Å |
| 14 | V | 81.6 | Confident | 71.8 | Confident | 31 Ų | 31 | 89.1 Ų | 89.1 | 19% | 0.188 | 47% | 0.469 | C | S | . | . | G | 310 helix | trans | -100.1 | -0.4 | -178 | -170.6 | 0 | 0 | 0 | 0 | 111.9 | D11 A12 R16 L125 | D11-V14 HydrophobicContact CB-CG2 4.05Å; D11-V14 PolarHBondContact O-N 2.94Å; A12-V14 PolarHBondContact O-N 3.11Å; V14-R16 WeakPolarHBondContact O-CG 3.48Å; V14-R16 PolarHBondContact O-N 3.2Å; V14-R16 PolarHBondContact O-NE 2.83Å; V14-L125 HydrophobicContact CB-CD2 4.23Å; V14-L125 HydrophobicContact CG1-CD2 4.5Å; V14-L125 HydrophobicContact CG2-CD2 3.67Å |
| 15 | Q | 85.6 | Confident | 73.8 | Confident | 69 Ų | 69 | 83.7 Ų | 83.7 | 32% | 0.322 | 44% | 0.435 | S | S | . | . | trans | -68 | 129.7 | -178.6 | -70.4 | -162.6 | 7 | 0 | 0 | 112.4 | A12 Q23 F24 | A12-Q15 PolarHBondContact O-N 3.21Å; Q15-Q23 HydrophobicContact CB-CB 4.1Å; Q15-Q23 WeakPolarHBondContact O-CB 3.17Å; Q15-Q23 PolarHBondContact O-N 3.42Å; Q15-F24 HydrophobicContact CB-CD2 4.15Å; Q15-F24 HydrophobicContact CB-CE2 3.76Å; Q15-F24 HydrophobicContact CG-CE2 4.06Å | ||
| 16 | R | 89.7 | Confident | 76.4 | Confident | 116 Ų | 116 | 74.5 Ų | 74.5 | 44% | 0.438 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -132.4 | 150.2 | -170.1 | -22.9 | -179.9 | -161.1 | 157 | 0 | 111.9 | V14 Y21 L43 W75 | V14-R16 WeakPolarHBondContact O-CG 3.48Å; V14-R16 PolarHBondContact O-N 3.2Å; V14-R16 PolarHBondContact O-NE 2.83Å; R16-Y21 CarbonylContact C-O 3.44Å; R16-Y21 WeakPolarHBondContact CA-O 3.45Å; R16-Y21 WeakPolarHBondContact CB-O 3.4Å; R16-L43 VanDerWaalsContact NH2-CD2 3.32Å; R16-W75 HydrophobicContact CB-CH2 4.35Å; R16-W75 HydrophobicContact CG-CH2 3.95Å |
| 17 | T | 91.1 | Very high | 79.1 | Confident | 39 Ų | 39 | 65.9 Ų | 65.9 | 24% | 0.239 | 36% | 0.355 | C | S | . | . | trans | -68.7 | 168.7 | 166.5 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | D19 G20 Y21 N39 | T17-D19 PolarHBondContact O-N 2.9Å; T17-D19 PolarHBondContact OG1-N 2.9Å; T17-G20 PolarHBondContact O-N 2.86Å; T17-Y21 PolarHBondContact N-O 3.29Å; T17-Y21 PolarHBondContact OG1-N 2.81Å; T17-Y21 VanDerWaalsContact OG1-N 3.11Å; T17-N39 WeakPolarHBondContact CG2-OD1 3.31Å | ||
| 18 | Q | 89.8 | Confident | 81.7 | Confident | 204 Ų | 204 | 61 Ų | 61 | 95% | 0.953 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -31.3 | 173.9 | -67.9 | 179.5 | -12.6 | 0 | 0 | 112.4 | G20 | Q18-G20 VanDerWaalsContact C-N 3.25Å; Q18-G20 PolarHBondContact O-N 3.22Å |
| 19 | D | 92.2 | Very high | 84.4 | Confident | 123 Ų | 123 | 57.8 Ų | 57.8 | 66% | 0.658 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | 4.1 | 177.8 | -57.6 | -52.7 | 0 | 0 | 0 | 113.7 | T17 Y21 | T17-D19 PolarHBondContact O-N 2.9Å; T17-D19 PolarHBondContact OG1-N 2.9Å; D19-Y21 HydrophobicContact CB-CD2 3.76Å; D19-Y21 HydrophobicContact CB-CE2 3.97Å |
| 20 | G | 93.2 | Very high | 86.9 | Confident | 25 Ų | 25 | 61.7 Ų | 61.7 | 26% | 0.258 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 82.3 | 14.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | T17 Q18 K42 L43 | T17-G20 PolarHBondContact O-N 2.86Å; Q18-G20 VanDerWaalsContact C-N 3.25Å; Q18-G20 PolarHBondContact O-N 3.22Å; G20-K42 WeakPolarHBondContact O-CA 3.4Å; G20-L43 PolarHBondContact O-N 3.11Å; G20-L43 VanDerWaalsContact O-N 3.13Å |
| 21 | Y | 95.2 | Very high | 89 | Confident | 74 Ų | 74 | 59.7 Ų | 59.7 | 29% | 0.29 | 30% | 0.298 | S | S | . | . | B | Isolated β-bridge | trans | -86.9 | 156.5 | 177.7 | -70 | -97 | 0 | 0 | 0 | 112.9 | R16 T17 D19 Q23 A41 K42 | R16-Y21 CarbonylContact C-O 3.44Å; R16-Y21 WeakPolarHBondContact CA-O 3.45Å; R16-Y21 WeakPolarHBondContact CB-O 3.4Å; T17-Y21 PolarHBondContact N-O 3.29Å; T17-Y21 PolarHBondContact OG1-N 2.81Å; T17-Y21 VanDerWaalsContact OG1-N 3.11Å; D19-Y21 HydrophobicContact CB-CD2 3.76Å; D19-Y21 HydrophobicContact CB-CE2 3.97Å; Y21-Q23 PolarHBondContact O-N 2.62Å; Y21-A41 CarbonylContact C-O 3.43Å; Y21-A41 WeakPolarHBondContact CA-O 3.11Å; Y21-K42 HydrophobicContact CD1-CG 3.84Å; Y21-K42 HydrophobicContact CD2-CG 4.23Å; Y21-K42 HydrophobicContact CE1-CD 4.45Å; Y21-K42 HydrophobicContact CE1-CG 3.75Å; Y21-K42 HydrophobicContact CE2-CD 4.34Å; Y21-K42 HydrophobicContact CE2-CG 4.15Å; Y21-K42 HydrophobicContact CG-CG 4.1Å; Y21-K42 WeakPolarHBondContact OH-CE 3.48Å |
| 22 | N | 95 | Very high | 90.6 | Very high | 1 Ų | 1 | 59.1 Ų | 59.1 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | B | Isolated β-bridge | trans | -58.4 | 122.9 | 173.8 | 65.5 | -53.4 | 0 | 0 | 0 | 112.2 | F24 I26 R37 K38 N39 T40 A41 W75 | N22-F24 PolarHBondContact ND2-O 2.84Å; N22-I26 HydrophobicContact CB-CD1 4.13Å; N22-I26 HydrophobicContact CB-CG1 4.44Å; N22-R37 PolarHBondContact ND2-O 2.56Å; N22-K38 WeakPolarHBondContact ND2-CA 3.41Å; N22-N39 PolarHBondContact O-N 2.97Å; N22-N39 PolarHBondContact OD1-N 3.41Å; N22-T40 PolarHBondContact OD1-N 2.95Å; N22-A41 PolarHBondContact N-O 2.88Å; N22-A41 PolarHBondContact OD1-N 2.88Å; N22-A41 PolarHBondContact OD1-O 2.76Å; N22-W75 HydrophobicContact CB-CD2 3.85Å; N22-W75 HydrophobicContact CB-CE3 3.83Å; N22-W75 HydrophobicContact CB-CH2 3.71Å; N22-W75 HydrophobicContact CB-CZ2 3.71Å; N22-W75 HydrophobicContact CB-CZ3 3.76Å; N22-W75 VanDerWaalsContact N-CZ3 3.28Å |
| 23 | Q | 94.5 | Very high | 92.1 | Very high | 86 Ų | 86 | 58.5 Ų | 58.5 | 40% | 0.402 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -74.5 | -27.7 | -177.5 | -174.6 | 169.8 | -2.8 | 0 | 0 | 113 | Q15 Y21 K38 | Q15-Q23 HydrophobicContact CB-CB 4.1Å; Q15-Q23 WeakPolarHBondContact O-CB 3.17Å; Q15-Q23 PolarHBondContact O-N 3.42Å; Y21-Q23 PolarHBondContact O-N 2.62Å; Q23-K38 WeakPolarHBondContact O-CB 3.48Å |
| 24 | F | 94.5 | Very high | 93.2 | Very high | 28 Ų | 28 | 59.1 Ų | 59.1 | 12% | 0.123 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -118.2 | 163.6 | -178.4 | -56.8 | -64.8 | 0 | 0 | 0 | 112 | Q15 N22 T130 E131 K133 | Q15-F24 HydrophobicContact CB-CD2 4.15Å; Q15-F24 HydrophobicContact CB-CE2 3.76Å; Q15-F24 HydrophobicContact CG-CE2 4.06Å; N22-F24 PolarHBondContact ND2-O 2.84Å; F24-T130 HydrophobicContact CB-CG2 3.95Å; F24-T130 HydrophobicContact CD2-CG2 4.39Å; F24-E131 WeakPolarHBondContact CD1-O 3.48Å; F24-K133 HydrophobicContact CE1-CB 4.48Å; F24-K133 HydrophobicContact CE1-CG 4.39Å |
| 25 | N | 95.9 | Very high | 94 | Very high | 14 Ų | 14 | 57.6 Ų | 57.6 | 8% | 0.075 | 29% | 0.289 | C | S | . | . | trans | -61.5 | 137.7 | 167.4 | -62.2 | -19.3 | 0 | 0 | 0 | 109.1 | L27 L36 R37 K38 T130 E131 | N25-L27 HydrophobicContact CB-CD2 4.03Å; N25-L36 CarbonylContact C-O 3.53Å; N25-L36 VanDerWaalsContact CA-O 3.31Å; N25-L36 WeakPolarHBondContact CA-O 3.12Å; N25-R37 WeakPolarHBondContact OD1-CA 3.1Å; N25-K38 PolarHBondContact OD1-N 2.84Å; N25-T130 WeakPolarHBondContact O-CA 3.37Å; N25-E131 HydrophobicContact CB-CG 4.19Å; N25-E131 PolarHBondContact ND2-OE1 3.14Å; N25-E131 PolarHBondContact ND2-OE2 3.3Å; N25-E131 VanDerWaalsContact ND2-OE2 3.11Å; N25-E131 PolarHBondContact O-N 2.8Å | ||
| 26 | I | 95.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.3 | 174 | -51.1 | -53.7 | 0 | 0 | 0 | 107.6 | N22 V35 L36 W75 V123 T128 T130 | N22-I26 HydrophobicContact CB-CD1 4.13Å; N22-I26 HydrophobicContact CB-CG1 4.44Å; I26-V35 WeakPolarHBondContact O-CB 3.36Å; I26-V35 PolarHBondContact O-N 3.39Å; I26-L36 HydrophobicContact CB-CB 4.07Å; I26-L36 HydrophobicContact CG1-CB 4.16Å; I26-L36 PolarHBondContact N-O 3.1Å; I26-L36 PolarHBondContact O-N 3.32Å; I26-L36 VanDerWaalsContact O-N 3.14Å; I26-W75 HydrophobicContact CD1-CG 4.43Å; I26-W75 HydrophobicContact CG1-CG 4.46Å; I26-V123 HydrophobicContact CG2-CG1 4.31Å; I26-T128 VanDerWaalsContact CG2-CB 3.42Å; I26-T128 HydrophobicContact CG2-CG2 3.66Å; I26-T128 WeakPolarHBondContact CG2-OG1 3.4Å; I26-T130 HydrophobicContact CD1-CG2 3.81Å |
| 27 | L | 97 | Very high | 94.8 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 7% | 0.073 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 154.5 | -171.2 | -48.2 | -179.1 | 0 | 0 | 0 | 111.4 | N25 S33 I34 T128 T129 E131 | N25-L27 HydrophobicContact CB-CD2 4.03Å; L27-S33 CarbonylContact C-O 3.53Å; L27-S33 VanDerWaalsContact CA-O 3.28Å; L27-S33 WeakPolarHBondContact CA-O 3.09Å; L27-I34 HydrophobicContact CD2-CB 4.21Å; L27-I34 HydrophobicContact CD2-CG1 3.74Å; L27-I34 HydrophobicContact CD2-CG2 4.48Å; L27-T128 WeakPolarHBondContact O-CA 3.18Å; L27-T128 WeakPolarHBondContact O-CB 3.49Å; L27-T129 HydrophobicContact CB-CG2 3.82Å; L27-T129 HydrophobicContact CD1-CG2 4.43Å; L27-T129 PolarHBondContact N-O 3.09Å; L27-T129 PolarHBondContact O-N 3.18Å; L27-E131 HydrophobicContact CD1-CG 3.8Å; L27-E131 HydrophobicContact CD2-CG 4.32Å; L27-E131 HydrophobicContact CG-CG 4.35Å |
| 28 | C | 96.3 | Very high | 95 | Very high | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | trans | -62.3 | 131.4 | 165.3 | 177.1 | 0 | 0 | 0 | 0 | 109.9 | R30 S32 S33 C100 | C28-R30 PolarHBondContact O-N 2.82Å; C28-R30 PolarHBondContact SG-N 3.46Å; C28-S32 VanDerWaalsContact O-CA 3.29Å; C28-S32 WeakPolarHBondContact O-CA 3.48Å; C28-S32 PolarHBondContact O-N 2.83Å; C28-S33 PolarHBondContact N-O 3.24Å; C28-C100 HydrophobicContact CB-CB 4.14Å | ||
| 29 | P | 94 | Very high | 95.3 | Very high | 59 Ų | 59 | 51.9 Ų | 51.9 | 38% | 0.383 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -14 | -177.3 | 30.6 | -36.8 | 0 | 0 | 0 | 113.4 | F53 L105 R127 | P29-F53 HydrophobicContact CG-CZ 4.06Å; P29-L105 HydrophobicContact CG-CD2 4.02Å; P29-R127 VanDerWaalsContact CD-O 3.32Å; P29-R127 WeakPolarHBondContact CD-O 3.48Å; P29-R127 WeakPolarHBondContact CG-O 3.41Å |
| 30 | R | 93.7 | Very high | 95.4 | Very high | 179 Ų | 179 | 48.1 Ų | 48.1 | 68% | 0.675 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.6 | -49.3 | -176.5 | 176.3 | -178.4 | -70.4 | -125 | 0.5 | 113.5 | C28 L105 | C28-R30 PolarHBondContact O-N 2.82Å; C28-R30 PolarHBondContact SG-N 3.46Å; R30-L105 HydrophobicContact CB-CD2 3.71Å |
| 31 | C | 95 | Very high | 95.6 | Very high | 53 Ų | 53 | 46.9 Ų | 46.9 | 36% | 0.358 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -113.3 | 1.2 | -175.2 | 67.5 | 0 | 0 | 0 | 0 | 114 | S33 C100 C103 | C31-S33 PolarHBondContact O-N 2.93Å; C31-S33 VanDerWaalsContact O-N 3.1Å; C31-S33 VanDerWaalsContact SG-CB 3.53Å; C31-C100 PolarHBondContact SG-SG 3.35Å; C31-C103 HydrophobicContact CB-CB 4.18Å; C31-C103 VanDerWaalsContact SG-SG 3.63Å |
| 32 | S | 95.1 | Very high | 95.6 | Very high | 79 Ų | 79 | 48.1 Ų | 48.1 | 55% | 0.552 | 24% | 0.237 | S | C | * | . | trans | 60.2 | 16 | -178.1 | -52.1 | 0 | 0 | 0 | 0 | 115.2 | C28 | C28-S32 VanDerWaalsContact O-CA 3.29Å; C28-S32 WeakPolarHBondContact O-CA 3.48Å; C28-S32 PolarHBondContact O-N 2.83Å | ||
| 33 | S | 96.2 | Very high | 95.6 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 7% | 0.07 | 24% | 0.244 | C | C | . | . | trans | -59.1 | 136.8 | 171.5 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | L27 C28 C31 V35 N85 D102 | L27-S33 CarbonylContact C-O 3.53Å; L27-S33 VanDerWaalsContact CA-O 3.28Å; L27-S33 WeakPolarHBondContact CA-O 3.09Å; C28-S33 PolarHBondContact N-O 3.24Å; C31-S33 PolarHBondContact O-N 2.93Å; C31-S33 VanDerWaalsContact O-N 3.1Å; C31-S33 VanDerWaalsContact SG-CB 3.53Å; S33-V35 PolarHBondContact O-N 3Å; S33-N85 WeakPolarHBondContact OG-CB 3.48Å; S33-D102 WeakPolarHBondContact CB-OD2 3.43Å; S33-D102 PolarHBondContact OG-OD2 2.67Å | ||
| 34 | I | 96.9 | Very high | 95.6 | Very high | 36 Ų | 36 | 46.6 Ų | 46.6 | 19% | 0.185 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 118.7 | 179.4 | -56 | 176.9 | 0 | 0 | 0 | 108.6 | L27 E84 N85 | L27-I34 HydrophobicContact CD2-CB 4.21Å; L27-I34 HydrophobicContact CD2-CG1 3.74Å; L27-I34 HydrophobicContact CD2-CG2 4.48Å; I34-E84 HydrophobicContact CB-CB 4.36Å; I34-E84 HydrophobicContact CG2-CB 4.1Å; I34-E84 HydrophobicContact CG2-CG 3.89Å; I34-E84 WeakPolarHBondContact O-CB 3.29Å; I34-N85 WeakPolarHBondContact O-CB 3.14Å; I34-N85 PolarHBondContact O-N 3.17Å; I34-N85 VanDerWaalsContact O-N 3.1Å; I34-N85 PolarHBondContact O-ND2 3.06Å |
| 35 | V | 97.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | -47.7 | 174.1 | -179.4 | 0 | 0 | 0 | 0 | 109.5 | I26 S33 F83 E84 L108 | I26-V35 WeakPolarHBondContact O-CB 3.36Å; I26-V35 PolarHBondContact O-N 3.39Å; S33-V35 PolarHBondContact O-N 3Å; V35-F83 HydrophobicContact CG1-CD1 3.99Å; V35-F83 HydrophobicContact CG1-CE1 4.21Å; V35-F83 WeakPolarHBondContact O-CA 3.38Å; V35-E84 PolarHBondContact O-N 2.87Å; V35-L108 HydrophobicContact CG2-CD1 3.82Å |
| 36 | L | 96.8 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 143.4 | 178.5 | -71 | 160.8 | 0 | 0 | 0 | 110.5 | N25 I26 A41 V77 A82 F83 V123 | N25-L36 CarbonylContact C-O 3.53Å; N25-L36 VanDerWaalsContact CA-O 3.31Å; N25-L36 WeakPolarHBondContact CA-O 3.12Å; I26-L36 HydrophobicContact CB-CB 4.07Å; I26-L36 HydrophobicContact CG1-CB 4.16Å; I26-L36 PolarHBondContact N-O 3.1Å; I26-L36 PolarHBondContact O-N 3.32Å; I26-L36 VanDerWaalsContact O-N 3.14Å; L36-A41 HydrophobicContact CD1-CB 4.02Å; L36-V77 HydrophobicContact CD1-CG2 3.63Å; L36-V77 HydrophobicContact CD2-CG1 4.44Å; L36-V77 HydrophobicContact CD2-CG2 3.69Å; L36-V77 HydrophobicContact CG-CG2 4.31Å; L36-A82 WeakPolarHBondContact CD2-O 3.21Å; L36-F83 HydrophobicContact CD1-CD1 4.4Å; L36-F83 HydrophobicContact CD1-CE1 3.93Å; L36-F83 HydrophobicContact CD2-CD1 3.57Å; L36-F83 HydrophobicContact CD2-CE1 3.77Å; L36-F83 HydrophobicContact CD2-CG 4.11Å; L36-F83 HydrophobicContact CD2-CZ 4.45Å; L36-F83 HydrophobicContact CG-CD1 3.8Å; L36-F83 HydrophobicContact CG-CE1 3.84Å; L36-V123 HydrophobicContact CD1-CB 4.48Å; L36-V123 HydrophobicContact CD1-CG2 3.89Å |
| 37 | R | 96.3 | Very high | 95.3 | Very high | 107 Ų | 107 | 58 Ų | 58 | 40% | 0.404 | 30% | 0.298 | S | S | . | . | trans | -76.4 | 158.1 | 170.2 | -62.1 | -65.9 | -177 | 136.2 | 3.9 | 110.6 | N22 N25 T40 E84 | N22-R37 PolarHBondContact ND2-O 2.56Å; N25-R37 WeakPolarHBondContact OD1-CA 3.1Å; R37-T40 HydrophobicContact CB-CG2 3.93Å; R37-T40 WeakPolarHBondContact O-CB 3.13Å; R37-T40 WeakPolarHBondContact O-CG2 3.46Å; R37-T40 PolarHBondContact O-OG1 3.13Å; R37-E84 HydrophobicContact CG-CG 3.84Å; R37-E84 IonicContact CZ-OE2 3.64Å; R37-E84 VanDerWaalsContact CZ-OE2 3.3Å; R37-E84 IonicContact NE-OE1 2.69Å; R37-E84 IonicContact NE-OE2 2.69Å; R37-E84 PolarHBondContact NE-OE2 3.47Å; R37-E84 IonicContact NH2-OE2 3.09Å; R37-E84 PolarHBondContact NH2-OE2 3.12Å | ||
| 38 | K | 94.7 | Very high | 95.1 | Very high | 111 Ų | 111 | 58.6 Ų | 58.6 | 48% | 0.483 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | 149.8 | 165.4 | 64 | -178.8 | -176.7 | 176.2 | 0 | 111.5 | N22 Q23 N25 T40 | N22-K38 WeakPolarHBondContact ND2-CA 3.41Å; Q23-K38 WeakPolarHBondContact O-CB 3.48Å; N25-K38 PolarHBondContact OD1-N 2.84Å; K38-T40 VanDerWaalsContact C-N 3.3Å; K38-T40 PolarHBondContact O-N 2.96Å |
| 39 | N | 95.1 | Very high | 94.9 | Very high | 90 Ų | 90 | 63 Ų | 63 | 48% | 0.481 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 28.3 | 177.4 | -53 | -32.9 | 0 | 0 | 0 | 115.1 | T17 N22 | T17-N39 WeakPolarHBondContact CG2-OD1 3.31Å; N22-N39 PolarHBondContact O-N 2.97Å; N22-N39 PolarHBondContact OD1-N 3.41Å |
| 40 | T | 95.6 | Very high | 94.8 | Very high | 43 Ų | 43 | 60.2 Ų | 60.2 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | S | Bend | trans | -113.7 | -27.8 | -178.9 | 59.5 | 0 | 0 | 0 | 0 | 113.5 | N22 R37 K38 | N22-T40 PolarHBondContact OD1-N 2.95Å; R37-T40 HydrophobicContact CB-CG2 3.93Å; R37-T40 WeakPolarHBondContact O-CB 3.13Å; R37-T40 WeakPolarHBondContact O-CG2 3.46Å; R37-T40 PolarHBondContact O-OG1 3.13Å; K38-T40 VanDerWaalsContact C-N 3.3Å; K38-T40 PolarHBondContact O-N 2.96Å |
| 41 | A | 96.6 | Very high | 94.7 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -121.9 | 143.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y21 N22 L36 W75 C76 V77 | Y21-A41 CarbonylContact C-O 3.43Å; Y21-A41 WeakPolarHBondContact CA-O 3.11Å; N22-A41 PolarHBondContact N-O 2.88Å; N22-A41 PolarHBondContact OD1-N 2.88Å; N22-A41 PolarHBondContact OD1-O 2.76Å; L36-A41 HydrophobicContact CD1-CB 4.02Å; A41-W75 HydrophobicContact CB-CB 3.72Å; A41-W75 HydrophobicContact CB-CD2 4.44Å; A41-W75 HydrophobicContact CB-CE3 4.14Å; A41-W75 HydrophobicContact CB-CG 4.3Å; A41-C76 CarbonylContact C-O 3.56Å; A41-C76 VanDerWaalsContact CA-O 3.31Å; A41-C76 WeakPolarHBondContact CA-O 3.4Å; A41-V77 HydrophobicContact CB-CG2 3.49Å; A41-V77 VanDerWaalsContact CB-CG2 3.49Å | ||
| 42 | K | 96.1 | Very high | 94.5 | Very high | 99 Ų | 99 | 51.6 Ų | 51.6 | 43% | 0.43 | 27% | 0.271 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 145.8 | 175.1 | -71.8 | -170.4 | 177.2 | -173.9 | 0 | 111.2 | G20 Y21 A44 W75 C76 | G20-K42 WeakPolarHBondContact O-CA 3.4Å; Y21-K42 HydrophobicContact CD1-CG 3.84Å; Y21-K42 HydrophobicContact CD2-CG 4.23Å; Y21-K42 HydrophobicContact CE1-CD 4.45Å; Y21-K42 HydrophobicContact CE1-CG 3.75Å; Y21-K42 HydrophobicContact CE2-CD 4.34Å; Y21-K42 HydrophobicContact CE2-CG 4.15Å; Y21-K42 HydrophobicContact CG-CG 4.1Å; Y21-K42 WeakPolarHBondContact OH-CE 3.48Å; K42-A44 PolarHBondContact O-N 2.83Å; K42-W75 VanDerWaalsContact C-CE3 3.49Å; K42-C76 PolarHBondContact N-O 2.77Å; K42-C76 PolarHBondContact O-N 2.77Å |
| 43 | L | 95.4 | Very high | 94 | Very high | 32 Ų | 32 | 51.8 Ų | 51.8 | 17% | 0.168 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 134.2 | 175.7 | -170 | 76.7 | 0 | 0 | 0 | 110.6 | R16 G20 F74 W75 L125 | R16-L43 VanDerWaalsContact NH2-CD2 3.32Å; G20-L43 PolarHBondContact O-N 3.11Å; G20-L43 VanDerWaalsContact O-N 3.13Å; L43-F74 CarbonylContact C-O 3.55Å; L43-F74 WeakPolarHBondContact CA-O 3.4Å; L43-W75 HydrophobicContact CB-CE3 4.29Å; L43-W75 HydrophobicContact CB-CH2 4.33Å; L43-W75 HydrophobicContact CB-CZ3 3.84Å; L43-W75 HydrophobicContact CD1-CE3 4.49Å; L43-W75 HydrophobicContact CD1-CZ3 4.46Å; L43-W75 VanDerWaalsContact N-CZ3 3.32Å; L43-L125 HydrophobicContact CD1-CD1 3.73Å; L43-L125 HydrophobicContact CD1-CD2 3.78Å; L43-L125 HydrophobicContact CD1-CG 4.44Å |
| 44 | A | 94.5 | Very high | 93.1 | Very high | 23 Ų | 23 | 52.2 Ų | 52.2 | 19% | 0.19 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 131 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | K42 F74 C76 Y122 | K42-A44 PolarHBondContact O-N 2.83Å; A44-F74 PolarHBondContact N-O 2.69Å; A44-F74 PolarHBondContact O-N 2.96Å; A44-C76 HydrophobicContact CB-CB 3.85Å; A44-Y122 HydrophobicContact CB-CD1 4.39Å; A44-Y122 HydrophobicContact CB-CE1 4.15Å |
| 45 | N | 93.5 | Very high | 92.2 | Very high | 118 Ų | 118 | 58.8 Ų | 58.8 | 63% | 0.631 | 29% | 0.289 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 109.6 | 169.2 | -64.2 | -63.1 | 0 | 0 | 0 | 108.2 | E72 | N45-E72 CarbonylContact C-O 3.57Å; N45-E72 VanDerWaalsContact CA-O 3.31Å; N45-E72 WeakPolarHBondContact CA-O 3.19Å |
| 46 | K | 91.3 | Very high | 91.3 | Very high | 78 Ų | 78 | 62 Ų | 62 | 34% | 0.339 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 95.5 | -177.4 | -176.9 | -177.7 | 172.6 | 82.8 | 0 | 109.1 | H48 E72 F74 F110 Y122 | K46-H48 PolarHBondContact O-N 3.43Å; K46-H48 VanDerWaalsContact O-N 3.15Å; K46-E72 PolarHBondContact N-O 3.43Å; K46-F74 WeakPolarHBondContact O-CE2 3.43Å; K46-F110 HydrophobicContact CD-CZ 4.12Å; K46-Y122 HydrophobicContact CD-CD1 4.49Å; K46-Y122 HydrophobicContact CD-CE1 4.04Å; K46-Y122 HydrophobicContact CD-CE2 4.22Å |
| 47 | P | 93.5 | Very high | 90.5 | Very high | 88 Ų | 88 | 66.1 Ų | 66.1 | 57% | 0.571 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -52.6 | 120.7 | 174.7 | -25.7 | 34.5 | 0 | 0 | 0 | 111.2 | L70 T71 E72 | P47-L70 HydrophobicContact CB-CD1 4.06Å; P47-T71 CarbonylContact C-O 3.55Å; P47-T71 WeakPolarHBondContact CA-O 3.45Å; P47-E72 HydrophobicContact CB-CG 4.25Å; P47-E72 HydrophobicContact CG-CG 4.18Å |
| 48 | H | 93.1 | Very high | 89.6 | Confident | 26 Ų | 26 | 64.8 Ų | 64.8 | 12% | 0.12 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 135.1 | -178.8 | -172.9 | 76.8 | 0 | 0 | 0 | 110.7 | K46 L50 T71 F74 F95 F110 | K46-H48 PolarHBondContact O-N 3.43Å; K46-H48 VanDerWaalsContact O-N 3.15Å; H48-L50 PolarHBondContact O-N 3.3Å; H48-T71 PolarHBondContact N-O 3.01Å; H48-T71 PolarHBondContact O-N 2.92Å; H48-F74 HydrophobicContact CB-CE2 4.29Å; H48-F74 HydrophobicContact CB-CZ 4.03Å; H48-F95 AromaticContact CE1-CE1 3.54Å; H48-F95 AromaticContact CE1-CZ 3.64Å; H48-F110 HydrophobicContact CB-CE1 3.82Å; H48-F110 HydrophobicContact CB-CZ 4.01Å; H48-F110 AromaticContact CD2-CD1 3.41Å; H48-F110 VanDerWaalsContact CD2-CD1 3.41Å; H48-F110 WeakPolarHBondContact CD2-CD1 3.41Å; H48-F110 AromaticContact CD2-CE1 3.4Å; H48-F110 VanDerWaalsContact CD2-CE1 3.4Å; H48-F110 WeakPolarHBondContact CD2-CE1 3.48Å; H48-F110 AromaticContact CD2-CG 3.84Å; H48-F110 AromaticContact CD2-CZ 3.83Å; H48-F110 AromaticContact CE1-CE2 3.93Å; H48-F110 AromaticContact CG-CE1 3.53Å; H48-F110 AromaticContact CG-CZ 3.61Å; H48-F110 AromaticContact ND1-CZ 3.82Å; H48-F110 AromaticContact NE2-CD1 3.77Å; H48-F110 AromaticContact NE2-CD2 3.83Å; H48-F110 AromaticContact NE2-CG 3.66Å |
| 49 | N | 92.7 | Very high | 88.8 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 49% | 0.492 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 102.9 | 176.8 | -72.7 | -52.4 | 0 | 0 | 0 | 109.5 | T68 E69 | N49-T68 HydrophobicContact CB-CG2 4.45Å; N49-E69 WeakPolarHBondContact CA-O 3.49Å |
| 50 | L | 92.4 | Very high | 88.1 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 138.8 | 174.1 | -80.1 | -179.1 | 0 | 0 | 0 | 110.4 | H48 V52 T68 E69 F74 Y97 P107 F110 A124 R127 | H48-L50 PolarHBondContact O-N 3.3Å; L50-V52 PolarHBondContact O-N 3.36Å; L50-T68 CarbonylContact O-C 3.48Å; L50-T68 WeakPolarHBondContact O-CA 3.46Å; L50-T68 WeakPolarHBondContact O-CB 3.33Å; L50-E69 PolarHBondContact N-O 2.93Å; L50-E69 PolarHBondContact O-N 3.19Å; L50-F74 HydrophobicContact CD1-CE1 3.91Å; L50-F74 HydrophobicContact CD1-CZ 4.26Å; L50-F74 HydrophobicContact CG-CE1 4.45Å; L50-Y97 HydrophobicContact CD2-CD1 4.35Å; L50-Y97 HydrophobicContact CD2-CE1 4.31Å; L50-P107 HydrophobicContact CB-CG 4.47Å; L50-P107 HydrophobicContact CD2-CB 4.46Å; L50-P107 HydrophobicContact CD2-CG 4.44Å; L50-F110 HydrophobicContact CD2-CB 4.03Å; L50-F110 HydrophobicContact CD2-CD1 3.88Å; L50-F110 HydrophobicContact CD2-CG 4.33Å; L50-A124 HydrophobicContact CD1-CB 3.71Å; L50-R127 HydrophobicContact CD1-CG 4.48Å |
| 51 | P | 91.7 | Very high | 87.2 | Confident | 2 Ų | 2 | 57.8 Ų | 57.8 | 1% | 0.013 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -50.5 | 143 | 164.2 | -25.8 | 33.3 | 0 | 0 | 0 | 111.3 | L59 F66 P67 Y97 P107 R127 | P51-L59 HydrophobicContact CB-CD2 3.56Å; P51-L59 HydrophobicContact CG-CD2 3.97Å; P51-F66 HydrophobicContact CB-CB 4.23Å; P51-P67 WeakPolarHBondContact CA-O 3.38Å; P51-Y97 VanDerWaalsContact CD-CE1 3.43Å; P51-Y97 HydrophobicContact CG-CD1 4.46Å; P51-Y97 HydrophobicContact CG-CE1 3.79Å; P51-Y97 HydrophobicContact CG-CE2 4Å; P51-P107 HydrophobicContact CB-CG 4.05Å; P51-P107 HydrophobicContact CG-CG 4.39Å; P51-P107 VanDerWaalsContact O-CD 3.31Å; P51-P107 WeakPolarHBondContact O-CD 3.32Å; P51-P107 WeakPolarHBondContact O-CG 3.28Å; P51-R127 PolarHBondContact O-NH1 3.27Å; P51-R127 PolarHBondContact O-NH2 3.35Å |
| 52 | V | 89.4 | Confident | 85.9 | Confident | 50 Ų | 50 | 62.8 Ų | 62.8 | 30% | 0.303 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -57 | 159.8 | 169.3 | -61.6 | 0 | 0 | 0 | 0 | 110.2 | L50 A54 P67 P107 | L50-V52 PolarHBondContact O-N 3.36Å; V52-A54 PolarHBondContact O-N 3.31Å; V52-A54 VanDerWaalsContact O-N 3.17Å; V52-P67 HydrophobicContact CG1-CB 4.23Å; V52-P67 HydrophobicContact CG1-CG 4.46Å; V52-P67 HydrophobicContact CG2-CB 4.38Å; V52-P67 HydrophobicContact CG2-CG 3.73Å; V52-P67 PolarHBondContact N-O 3.48Å; V52-P107 WeakPolarHBondContact O-CD 3.39Å |
| 53 | F | 85.3 | Confident | 84.6 | Confident | 83 Ų | 83 | 63 Ų | 63 | 36% | 0.364 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -53.5 | 125 | 177.3 | -81.5 | -61.9 | 0 | 0 | 0 | 112 | P29 L105 G106 L108 R127 | P29-F53 HydrophobicContact CG-CZ 4.06Å; F53-L105 HydrophobicContact CB-CD1 4.17Å; F53-L105 HydrophobicContact CD1-CD1 3.76Å; F53-L105 HydrophobicContact CD1-CD2 4.14Å; F53-L105 HydrophobicContact CD1-CG 3.74Å; F53-L105 HydrophobicContact CE1-CD1 4.39Å; F53-L105 HydrophobicContact CE1-CD2 3.94Å; F53-L105 HydrophobicContact CE1-CG 3.9Å; F53-L105 HydrophobicContact CG-CD1 4.17Å; F53-L105 HydrophobicContact CZ-CD2 4.41Å; F53-G106 CarbonylContact C-O 3.49Å; F53-G106 VanDerWaalsContact CA-O 3.25Å; F53-G106 WeakPolarHBondContact CA-O 3.3Å; F53-L108 HydrophobicContact CE1-CD2 4.12Å; F53-R127 HydrophobicContact CE1-CB 4.21Å; F53-R127 HydrophobicContact CE2-CB 4.48Å; F53-R127 HydrophobicContact CZ-CB 3.72Å; F53-R127 HydrophobicContact CZ-CG 4.11Å |
| 54 | A | 78.1 | Confident | 83.3 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 15% | 0.149 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 172.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110 | V52 E58 L59 G106 | V52-A54 PolarHBondContact O-N 3.31Å; V52-A54 VanDerWaalsContact O-N 3.17Å; A54-E58 HydrophobicContact CB-CB 4.13Å; A54-L59 HydrophobicContact CB-CD2 4.24Å; A54-L59 HydrophobicContact CB-CG 4.09Å; A54-G106 CarbonylContact C-O 3.45Å; A54-G106 PolarHBondContact N-O 3.48Å; A54-G106 CarbonylContact O-C 3.55Å; A54-G106 PolarHBondContact O-N 3.34Å; A54-G106 VanDerWaalsContact O-N 3.15Å |
| 55 | R | 76.7 | Confident | 82.3 | Confident | 175 Ų | 175 | 74.6 Ų | 74.6 | 66% | 0.66 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 156.2 | 171.9 | -63 | -176.2 | -179 | 178.1 | 0.8 | 110.8 | S57 E58 L59 | R55-S57 PolarHBondContact O-N 3.44Å; R55-E58 HydrophobicContact CB-CG 4.45Å; R55-E58 WeakPolarHBondContact CB-OE1 3.47Å; R55-E58 PolarHBondContact N-OE1 3.22Å; R55-E58 WeakPolarHBondContact O-CB 3.31Å; R55-E58 PolarHBondContact O-N 3.28Å; R55-L59 PolarHBondContact O-N 3.02Å |
| 56 | K | 79 | Confident | 81.5 | Confident | 67 Ų | 67 | 70.7 Ų | 70.7 | 29% | 0.291 | 37% | 0.37 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.7 | -40.3 | 176.8 | -173.7 | 179.7 | 178.8 | 174.2 | 0 | 113.8 | E58 L59 S60 F88 T89 T99 E104 | K56-E58 VanDerWaalsContact C-N 3.32Å; K56-E58 PolarHBondContact O-N 2.92Å; K56-L59 PolarHBondContact O-N 2.79Å; K56-S60 PolarHBondContact O-N 2.75Å; K56-S60 PolarHBondContact O-OG 2.79Å; K56-F88 WeakPolarHBondContact CE-O 3.25Å; K56-F88 PolarHBondContact NZ-O 2.85Å; K56-T89 HydrophobicContact CG-CG2 4.07Å; K56-T99 HydrophobicContact CB-CG2 4.15Å; K56-T99 HydrophobicContact CG-CG2 4.25Å; K56-E104 PolarHBondContact N-O 2.93Å |
| 57 | S | 78.9 | Confident | 81.3 | Confident | 87 Ų | 87 | 71.3 Ų | 71.3 | 61% | 0.608 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -34.5 | 179 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | R55 | R55-S57 PolarHBondContact O-N 3.44Š|
| 58 | E | 78.9 | Confident | 81.2 | Confident | 79 Ų | 79 | 70.7 Ų | 70.7 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -43.4 | 177.7 | -61.6 | 176.1 | -97.3 | 0 | 0 | 110.5 | A54 R55 K56 S60 N61 F66 | A54-E58 HydrophobicContact CB-CB 4.13Å; R55-E58 HydrophobicContact CB-CG 4.45Å; R55-E58 WeakPolarHBondContact CB-OE1 3.47Å; R55-E58 PolarHBondContact N-OE1 3.22Å; R55-E58 WeakPolarHBondContact O-CB 3.31Å; R55-E58 PolarHBondContact O-N 3.28Å; K56-E58 VanDerWaalsContact C-N 3.32Å; K56-E58 PolarHBondContact O-N 2.92Å; E58-S60 PolarHBondContact O-N 3Å; E58-S60 VanDerWaalsContact O-N 3.17Å; E58-N61 PolarHBondContact O-N 3.45Å; E58-F66 WeakPolarHBondContact O-CE1 3.47Å; E58-F66 WeakPolarHBondContact O-CZ 3.37Å |
| 59 | L | 77.6 | Confident | 81.2 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.2 | -9.5 | -179.6 | -67 | 165.3 | 0 | 0 | 0 | 114.6 | P51 A54 R55 K56 T89 V92 Y97 T99 P107 | P51-L59 HydrophobicContact CB-CD2 3.56Å; P51-L59 HydrophobicContact CG-CD2 3.97Å; A54-L59 HydrophobicContact CB-CD2 4.24Å; A54-L59 HydrophobicContact CB-CG 4.09Å; R55-L59 PolarHBondContact O-N 3.02Å; K56-L59 PolarHBondContact O-N 2.79Å; L59-T89 HydrophobicContact CB-CG2 3.86Å; L59-T89 HydrophobicContact CD1-CG2 4.43Å; L59-V92 VanDerWaalsContact O-CG2 3.27Å; L59-V92 WeakPolarHBondContact O-CG2 3.39Å; L59-Y97 HydrophobicContact CB-CD2 4.36Å; L59-Y97 HydrophobicContact CD2-CD2 4.5Å; L59-T99 HydrophobicContact CD1-CG2 4.48Å; L59-P107 HydrophobicContact CD1-CB 4.44Å |
| 60 | S | 80 | Confident | 81.2 | Confident | 29 Ų | 29 | 73.6 Ų | 73.6 | 20% | 0.203 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97 | 1.5 | -176.9 | -58.3 | 0 | 0 | 0 | 0 | 113.2 | K56 E58 P62 | K56-S60 PolarHBondContact O-N 2.75Å; K56-S60 PolarHBondContact O-OG 2.79Å; E58-S60 PolarHBondContact O-N 3Å; E58-S60 VanDerWaalsContact O-N 3.17Å; S60-P62 VanDerWaalsContact O-CD 3.31Å; S60-P62 WeakPolarHBondContact O-CD 3.34Å |
| 61 | N | 77 | Confident | 81.3 | Confident | 68 Ų | 68 | 73.9 Ų | 73.9 | 36% | 0.364 | 39% | 0.392 | S | S | . | . | trans | -92.7 | 108 | 179.6 | -171.8 | -6.2 | 0 | 0 | 0 | 111.4 | E58 S63 K64 F66 | E58-N61 PolarHBondContact O-N 3.45Å; N61-S63 PolarHBondContact O-N 3.46Å; N61-S63 PolarHBondContact OD1-N 3.48Å; N61-S63 VanDerWaalsContact OD1-N 3.09Å; N61-S63 PolarHBondContact OD1-OG 3.1Å; N61-K64 HydrophobicContact CB-CB 4.41Å; N61-K64 PolarHBondContact O-N 2.83Å; N61-F66 HydrophobicContact CB-CZ 4.44Å; N61-F66 WeakPolarHBondContact O-CZ 3.41Å | ||
| 62 | P | 68.5 | Low | 81.4 | Confident | 105 Ų | 105 | 78.9 Ų | 78.9 | 68% | 0.682 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -16.7 | -177.9 | 29.4 | -35.9 | 0 | 0 | 0 | 113.9 | S60 K64 | S60-P62 VanDerWaalsContact O-CD 3.31Å; S60-P62 WeakPolarHBondContact O-CD 3.34Å; P62-K64 VanDerWaalsContact C-N 3.33Å |
| 63 | S | 69.3 | Low | 81.7 | Confident | 104 Ų | 104 | 79.7 Ų | 79.7 | 73% | 0.727 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 0.9 | -178.3 | 78.3 | 0 | 0 | 0 | 0 | 113.7 | N61 | N61-S63 PolarHBondContact O-N 3.46Å; N61-S63 PolarHBondContact OD1-N 3.48Å; N61-S63 VanDerWaalsContact OD1-N 3.09Å; N61-S63 PolarHBondContact OD1-OG 3.1Å |
| 64 | K | 67.4 | Low | 82.2 | Confident | 106 Ų | 106 | 75.8 Ų | 75.8 | 46% | 0.461 | 40% | 0.398 | S | S | . | . | trans | -112.8 | 118.4 | -175.7 | -171.4 | 169.5 | 175.9 | -169.7 | 0 | 108.4 | N61 P62 F66 | N61-K64 HydrophobicContact CB-CB 4.41Å; N61-K64 PolarHBondContact O-N 2.83Å; P62-K64 VanDerWaalsContact C-N 3.33Å; K64-F66 HydrophobicContact CB-CE1 3.87Å; K64-F66 HydrophobicContact CB-CE2 4.26Å; K64-F66 HydrophobicContact CB-CZ 3.64Å; K64-F66 HydrophobicContact CD-CD1 4.22Å; K64-F66 HydrophobicContact CD-CE1 3.58Å; K64-F66 HydrophobicContact CD-CZ 4.2Å; K64-F66 HydrophobicContact CG-CD1 4.09Å; K64-F66 HydrophobicContact CG-CE1 3.65Å; K64-F66 HydrophobicContact CG-CZ 3.98Å; K64-F66 WeakPolarHBondContact O-CD2 3.02Å; K64-F66 WeakPolarHBondContact O-CE2 3.43Å; K64-F66 WeakPolarHBondContact O-CZ 3.28Å | ||
| 65 | E | 73.9 | Confident | 83.1 | Confident | 191 Ų | 191 | 75 Ų | 75 | 89% | 0.893 | 39% | 0.391 | S | S | * | . | trans | -70.7 | 129.9 | 163.3 | -70.2 | 177.5 | -168.8 | 0 | 0 | 107.8 | ||||
| 66 | F | 77.7 | Confident | 84.1 | Confident | 37 Ų | 37 | 67.5 Ų | 67.5 | 16% | 0.162 | 37% | 0.366 | C | S | . | . | trans | -106.7 | 142.6 | 176.6 | -51.4 | -83.2 | 0 | 0 | 0 | 108.3 | P51 E58 N61 K64 T68 | P51-F66 HydrophobicContact CB-CB 4.23Å; E58-F66 WeakPolarHBondContact O-CE1 3.47Å; E58-F66 WeakPolarHBondContact O-CZ 3.37Å; N61-F66 HydrophobicContact CB-CZ 4.44Å; N61-F66 WeakPolarHBondContact O-CZ 3.41Å; K64-F66 HydrophobicContact CB-CE1 3.87Å; K64-F66 HydrophobicContact CB-CE2 4.26Å; K64-F66 HydrophobicContact CB-CZ 3.64Å; K64-F66 HydrophobicContact CD-CD1 4.22Å; K64-F66 HydrophobicContact CD-CE1 3.58Å; K64-F66 HydrophobicContact CD-CZ 4.2Å; K64-F66 HydrophobicContact CG-CD1 4.09Å; K64-F66 HydrophobicContact CG-CE1 3.65Å; K64-F66 HydrophobicContact CG-CZ 3.98Å; K64-F66 WeakPolarHBondContact O-CD2 3.02Å; K64-F66 WeakPolarHBondContact O-CE2 3.43Å; K64-F66 WeakPolarHBondContact O-CZ 3.28Å; F66-T68 PolarHBondContact O-N 3.02Å | ||
| 67 | P | 86.8 | Confident | 84.9 | Confident | 91 Ų | 91 | 64.4 Ų | 64.4 | 59% | 0.591 | 35% | 0.353 | S | S | * | . | trans | -56.4 | 132.9 | 167.2 | 19.1 | -24.1 | 0 | 0 | 0 | 108.7 | P51 V52 | P51-P67 WeakPolarHBondContact CA-O 3.38Å; V52-P67 HydrophobicContact CG1-CB 4.23Å; V52-P67 HydrophobicContact CG1-CG 4.46Å; V52-P67 HydrophobicContact CG2-CB 4.38Å; V52-P67 HydrophobicContact CG2-CG 3.73Å; V52-P67 PolarHBondContact N-O 3.48Å | ||
| 68 | T | 91.2 | Very high | 85.7 | Confident | 75 Ų | 75 | 65 Ų | 65 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 157.2 | 179.1 | 58 | 0 | 0 | 0 | 0 | 110 | N49 L50 F66 | N49-T68 HydrophobicContact CB-CG2 4.45Å; L50-T68 CarbonylContact O-C 3.48Å; L50-T68 WeakPolarHBondContact O-CA 3.46Å; L50-T68 WeakPolarHBondContact O-CB 3.33Å; F66-T68 PolarHBondContact O-N 3.02Å |
| 69 | E | 92.3 | Very high | 86.3 | Confident | 79 Ų | 79 | 64.8 Ų | 64.8 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 141.9 | 170.8 | 67.3 | -175 | -157.8 | 0 | 0 | 110 | N49 L50 T71 R127 | N49-E69 WeakPolarHBondContact CA-O 3.49Å; L50-E69 PolarHBondContact N-O 2.93Å; L50-E69 PolarHBondContact O-N 3.19Å; E69-T71 PolarHBondContact O-N 3.1Å; E69-R127 IonicContact OE1-CZ 2.76Å; E69-R127 IonicContact OE1-NE 3.55Å; E69-R127 PolarHBondContact OE1-NE 3.01Å; E69-R127 IonicContact OE1-NH2 2.95Å; E69-R127 PolarHBondContact OE1-NH2 2.84Å; E69-R127 IonicContact OE2-NH2 3.3Å |
| 70 | L | 93.6 | Very high | 87 | Confident | 99 Ų | 99 | 69.1 Ų | 69.1 | 52% | 0.518 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 121.8 | 175.9 | -176.5 | 65 | 0 | 0 | 0 | 109.2 | P47 E72 | P47-L70 HydrophobicContact CB-CD1 4.06Å; L70-E72 HydrophobicContact CG-CG 4.38Å |
| 71 | T | 93.9 | Very high | 87.6 | Confident | 7 Ų | 7 | 76.9 Ų | 76.9 | 4% | 0.043 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.7 | 171.7 | -56.2 | 0 | 0 | 0 | 0 | 108.6 | P47 H48 E69 F74 A124 | P47-T71 CarbonylContact C-O 3.55Å; P47-T71 WeakPolarHBondContact CA-O 3.45Å; H48-T71 PolarHBondContact N-O 3.01Å; H48-T71 PolarHBondContact O-N 2.92Å; E69-T71 PolarHBondContact O-N 3.1Å; T71-F74 HydrophobicContact CG2-CE1 4.12Å; T71-F74 HydrophobicContact CG2-CE2 3.84Å; T71-F74 HydrophobicContact CG2-CZ 3.57Å; T71-F74 WeakPolarHBondContact O-CE2 2.92Å; T71-A124 HydrophobicContact CG2-CB 3.8Å |
| 72 | E | 94.4 | Very high | 88.5 | Confident | 106 Ų | 106 | 74.9 Ų | 74.9 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | -29.8 | -175.5 | -58.8 | -174.3 | 173.8 | 0 | 0 | 112.9 | N45 K46 P47 L70 | N45-E72 CarbonylContact C-O 3.57Å; N45-E72 VanDerWaalsContact CA-O 3.31Å; N45-E72 WeakPolarHBondContact CA-O 3.19Å; K46-E72 PolarHBondContact N-O 3.43Å; P47-E72 HydrophobicContact CB-CG 4.25Å; P47-E72 HydrophobicContact CG-CG 4.18Å; L70-E72 HydrophobicContact CG-CG 4.38Å |
| 73 | E | 95 | Very high | 89.8 | Confident | 68 Ų | 68 | 70.8 Ų | 70.8 | 32% | 0.318 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 123.8 | -173.8 | -64.3 | -175.8 | 107.1 | 0 | 0 | 112 | L125 | E73-L125 HydrophobicContact CB-CB 4.38Å; E73-L125 HydrophobicContact CB-CD1 4.33Å; E73-L125 HydrophobicContact CB-CD2 4.22Å; E73-L125 PolarHBondContact O-N 2.72Å; E73-L125 VanDerWaalsContact O-N 3.12Å |
| 74 | F | 96.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 145.7 | -177.9 | -64 | -95.4 | 0 | 0 | 0 | 112.5 | L43 A44 K46 H48 L50 T71 F110 Y122 V123 A124 | L43-F74 CarbonylContact C-O 3.55Å; L43-F74 WeakPolarHBondContact CA-O 3.4Å; A44-F74 PolarHBondContact N-O 2.69Å; A44-F74 PolarHBondContact O-N 2.96Å; K46-F74 WeakPolarHBondContact O-CE2 3.43Å; H48-F74 HydrophobicContact CB-CE2 4.29Å; H48-F74 HydrophobicContact CB-CZ 4.03Å; L50-F74 HydrophobicContact CD1-CE1 3.91Å; L50-F74 HydrophobicContact CD1-CZ 4.26Å; L50-F74 HydrophobicContact CG-CE1 4.45Å; T71-F74 HydrophobicContact CG2-CE1 4.12Å; T71-F74 HydrophobicContact CG2-CE2 3.84Å; T71-F74 HydrophobicContact CG2-CZ 3.57Å; T71-F74 WeakPolarHBondContact O-CE2 2.92Å; F74-F110 HydrophobicContact CD1-CE1 4.15Å; F74-F110 AromaticContact CE1-CD1 3.9Å; F74-F110 HydrophobicContact CE1-CD1 3.9Å; F74-F110 AromaticContact CE1-CE1 3.63Å; F74-F110 HydrophobicContact CE1-CE1 3.63Å; F74-F110 HydrophobicContact CE2-CE1 4.47Å; F74-F110 HydrophobicContact CZ-CD1 4.38Å; F74-F110 AromaticContact CZ-CE1 3.82Å; F74-F110 HydrophobicContact CZ-CE1 3.82Å; F74-Y122 HydrophobicContact CB-CD1 4.08Å; F74-V123 CarbonylContact C-O 3.49Å; F74-V123 VanDerWaalsContact CA-O 3.25Å; F74-V123 WeakPolarHBondContact CA-O 3.5Å; F74-A124 HydrophobicContact CD1-CB 4.02Å; F74-A124 HydrophobicContact CE1-CB 3.77Å |
| 75 | W | 96.7 | Very high | 92.4 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 0% | 0.004 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 114.3 | 158.6 | -72.1 | 120.3 | 0 | 0 | 0 | 108.9 | N13 R16 N22 I26 A41 K42 L43 Y122 V123 L125 | N13-W75 WeakPolarHBondContact O-CZ2 3.42Å; N13-W75 PolarHBondContact O-NE1 3.45Å; R16-W75 HydrophobicContact CB-CH2 4.35Å; R16-W75 HydrophobicContact CG-CH2 3.95Å; N22-W75 HydrophobicContact CB-CD2 3.85Å; N22-W75 HydrophobicContact CB-CE3 3.83Å; N22-W75 HydrophobicContact CB-CH2 3.71Å; N22-W75 HydrophobicContact CB-CZ2 3.71Å; N22-W75 HydrophobicContact CB-CZ3 3.76Å; N22-W75 VanDerWaalsContact N-CZ3 3.28Å; I26-W75 HydrophobicContact CD1-CG 4.43Å; I26-W75 HydrophobicContact CG1-CG 4.46Å; A41-W75 HydrophobicContact CB-CB 3.72Å; A41-W75 HydrophobicContact CB-CD2 4.44Å; A41-W75 HydrophobicContact CB-CE3 4.14Å; A41-W75 HydrophobicContact CB-CG 4.3Å; K42-W75 VanDerWaalsContact C-CE3 3.49Å; L43-W75 HydrophobicContact CB-CE3 4.29Å; L43-W75 HydrophobicContact CB-CH2 4.33Å; L43-W75 HydrophobicContact CB-CZ3 3.84Å; L43-W75 HydrophobicContact CD1-CE3 4.49Å; L43-W75 HydrophobicContact CD1-CZ3 4.46Å; L43-W75 VanDerWaalsContact N-CZ3 3.32Å; W75-Y122 WeakPolarHBondContact O-CA 3.37Å; W75-V123 HydrophobicContact CB-CB 4.25Å; W75-V123 PolarHBondContact N-O 2.85Å; W75-V123 PolarHBondContact O-N 2.83Å; W75-L125 HydrophobicContact CB-CD1 4.45Å; W75-L125 VanDerWaalsContact CD1-CD1 3.41Å; W75-L125 HydrophobicContact CD2-CD1 4.12Å; W75-L125 HydrophobicContact CG-CD1 3.78Å |
| 76 | C | 96.9 | Very high | 93.4 | Very high | 19 Ų | 19 | 60.1 Ų | 60.1 | 13% | 0.128 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.2 | 177.6 | -175.5 | 0 | 0 | 0 | 0 | 110.6 | A41 K42 A44 Y121 Y122 | A41-C76 CarbonylContact C-O 3.56Å; A41-C76 VanDerWaalsContact CA-O 3.31Å; A41-C76 WeakPolarHBondContact CA-O 3.4Å; K42-C76 PolarHBondContact N-O 2.77Å; K42-C76 PolarHBondContact O-N 2.77Å; A44-C76 HydrophobicContact CB-CB 3.85Å; C76-Y121 CarbonylContact C-O 3.58Å; C76-Y121 WeakPolarHBondContact CA-O 3.08Å; C76-Y122 HydrophobicContact CB-CD1 4.01Å; C76-Y122 HydrophobicContact CB-CE1 3.97Å |
| 77 | V | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 59 Ų | 59 | 1% | 0.012 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 134.1 | 177.4 | -176.1 | 0 | 0 | 0 | 0 | 107.8 | L36 A41 D79 A82 F83 Y121 | L36-V77 HydrophobicContact CD1-CG2 3.63Å; L36-V77 HydrophobicContact CD2-CG1 4.44Å; L36-V77 HydrophobicContact CD2-CG2 3.69Å; L36-V77 HydrophobicContact CG-CG2 4.31Å; A41-V77 HydrophobicContact CB-CG2 3.49Å; A41-V77 VanDerWaalsContact CB-CG2 3.49Å; V77-D79 WeakPolarHBondContact CG1-O 3.39Å; V77-A82 HydrophobicContact CG1-CB 3.6Å; V77-F83 HydrophobicContact CB-CE2 4.39Å; V77-F83 HydrophobicContact CB-CZ 4.23Å; V77-F83 HydrophobicContact CG1-CE2 4.39Å; V77-F83 HydrophobicContact CG2-CZ 4.25Å; V77-Y121 PolarHBondContact N-O 2.95Å; V77-Y121 WeakPolarHBondContact O-CD2 3.35Å; V77-Y121 PolarHBondContact O-N 2.91Å |
| 78 | N | 94.6 | Very high | 94.6 | Very high | 98 Ų | 98 | 56.8 Ų | 56.8 | 52% | 0.524 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -101.4 | 14.4 | -177 | -65.1 | -32.7 | 0 | 0 | 0 | 113.1 | N119 | N78-N119 CarbonylContact C-O 3.03Å; N78-N119 WeakPolarHBondContact CA-O 3.46Å; N78-N119 WeakPolarHBondContact O-CB 3.31Å; N78-N119 PolarHBondContact O-ND2 2.85Å |
| 79 | D | 92.5 | Very high | 94.6 | Very high | 76 Ų | 76 | 53.3 Ų | 53.3 | 41% | 0.406 | 27% | 0.265 | S | S | . | . | trans | -150.3 | 124.4 | -177.9 | -176.6 | 5.7 | 0 | 0 | 0 | 110.1 | V77 Y81 A82 | V77-D79 WeakPolarHBondContact CG1-O 3.39Å; D79-Y81 PolarHBondContact O-N 2.85Å; D79-Y81 VanDerWaalsContact OD1-CD2 3.25Å; D79-Y81 WeakPolarHBondContact OD1-CD2 3.45Å; D79-Y81 PolarHBondContact OD1-N 3.17Å; D79-A82 HydrophobicContact CB-CB 4.45Å; D79-A82 WeakPolarHBondContact O-CB 3Å; D79-A82 PolarHBondContact O-N 2.87Å | ||
| 80 | M | 92.6 | Very high | 94.6 | Very high | 90 Ų | 90 | 54.9 Ų | 54.9 | 44% | 0.443 | 28% | 0.276 | S | S | . | . | G | 310 helix | trans | -65 | -24.8 | 177.4 | 72.8 | 175.5 | 70.5 | 0 | 0 | 112.5 | A82 F83 Y121 | M80-A82 PolarHBondContact O-N 3.03Å; M80-F83 WeakPolarHBondContact O-CD2 3.37Å; M80-F83 PolarHBondContact O-N 2.85Å; M80-Y121 HydrophobicContact CB-CE1 4.45Å; M80-Y121 HydrophobicContact CB-CE2 3.84Å; M80-Y121 WeakPolarHBondContact CE-OH 3.41Å |
| 81 | Y | 92.7 | Very high | 94.4 | Very high | 193 Ų | 193 | 53.7 Ų | 53.7 | 76% | 0.757 | 27% | 0.273 | S | S | * | . | G | 310 helix | trans | -80.1 | -5.8 | -179 | -60.5 | -70 | 0 | 0 | 0 | 113.2 | D79 F83 | D79-Y81 PolarHBondContact O-N 2.85Å; D79-Y81 VanDerWaalsContact OD1-CD2 3.25Å; D79-Y81 WeakPolarHBondContact OD1-CD2 3.45Å; D79-Y81 PolarHBondContact OD1-N 3.17Å; Y81-F83 VanDerWaalsContact C-N 3.28Å |
| 82 | A | 94.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 22% | 0.215 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -78.5 | -13.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113 | L36 V77 D79 M80 | L36-A82 WeakPolarHBondContact CD2-O 3.21Å; V77-A82 HydrophobicContact CG1-CB 3.6Å; D79-A82 HydrophobicContact CB-CB 4.45Å; D79-A82 WeakPolarHBondContact O-CB 3Å; D79-A82 PolarHBondContact O-N 2.87Å; M80-A82 PolarHBondContact O-N 3.03Å |
| 83 | F | 96.7 | Very high | 93.8 | Very high | 19 Ų | 19 | 54.1 Ų | 54.1 | 8% | 0.083 | 29% | 0.287 | C | S | . | . | B | Isolated β-bridge | trans | -77.1 | 142 | 174 | -68.7 | -77.5 | 0 | 0 | 0 | 111.6 | V35 L36 V77 M80 Y81 V86 L98 Y121 V123 | V35-F83 HydrophobicContact CG1-CD1 3.99Å; V35-F83 HydrophobicContact CG1-CE1 4.21Å; V35-F83 WeakPolarHBondContact O-CA 3.38Å; L36-F83 HydrophobicContact CD1-CD1 4.4Å; L36-F83 HydrophobicContact CD1-CE1 3.93Å; L36-F83 HydrophobicContact CD2-CD1 3.57Å; L36-F83 HydrophobicContact CD2-CE1 3.77Å; L36-F83 HydrophobicContact CD2-CG 4.11Å; L36-F83 HydrophobicContact CD2-CZ 4.45Å; L36-F83 HydrophobicContact CG-CD1 3.8Å; L36-F83 HydrophobicContact CG-CE1 3.84Å; V77-F83 HydrophobicContact CB-CE2 4.39Å; V77-F83 HydrophobicContact CB-CZ 4.23Å; V77-F83 HydrophobicContact CG1-CE2 4.39Å; V77-F83 HydrophobicContact CG2-CZ 4.25Å; M80-F83 WeakPolarHBondContact O-CD2 3.37Å; M80-F83 PolarHBondContact O-N 2.85Å; Y81-F83 VanDerWaalsContact C-N 3.28Å; F83-V86 HydrophobicContact CB-CB 4.03Å; F83-V86 HydrophobicContact CB-CG1 3.4Å; F83-V86 VanDerWaalsContact CB-CG1 3.4Å; F83-V86 HydrophobicContact CD1-CB 3.99Å; F83-V86 HydrophobicContact CD1-CG1 3.91Å; F83-V86 HydrophobicContact CD1-CG2 4.29Å; F83-V86 HydrophobicContact CD2-CG1 3.98Å; F83-V86 HydrophobicContact CG-CB 4.09Å; F83-V86 HydrophobicContact CG-CG1 3.5Å; F83-L98 HydrophobicContact CE1-CD2 3.84Å; F83-L98 HydrophobicContact CE2-CD2 4.36Å; F83-L98 HydrophobicContact CZ-CD2 3.6Å; F83-Y121 HydrophobicContact CE2-CD1 4.29Å; F83-Y121 HydrophobicContact CE2-CD2 4.1Å; F83-Y121 AromaticContact CE2-CG 3.75Å; F83-Y121 HydrophobicContact CE2-CG 3.75Å; F83-Y121 HydrophobicContact CZ-CG 4.26Å; F83-V123 HydrophobicContact CE1-CG2 3.64Å; F83-V123 HydrophobicContact CZ-CG2 4.05Å |
| 84 | E | 96.6 | Very high | 93.7 | Very high | 90 Ų | 90 | 51.9 Ų | 51.9 | 42% | 0.421 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -90.7 | -60.3 | 176.9 | -64.6 | -85.8 | 136.5 | 0 | 0 | 110.8 | I34 V35 R37 | I34-E84 HydrophobicContact CB-CB 4.36Å; I34-E84 HydrophobicContact CG2-CB 4.1Å; I34-E84 HydrophobicContact CG2-CG 3.89Å; I34-E84 WeakPolarHBondContact O-CB 3.29Å; V35-E84 PolarHBondContact O-N 2.87Å; R37-E84 HydrophobicContact CG-CG 3.84Å; R37-E84 IonicContact CZ-OE2 3.64Å; R37-E84 VanDerWaalsContact CZ-OE2 3.3Å; R37-E84 IonicContact NE-OE1 2.69Å; R37-E84 IonicContact NE-OE2 2.69Å; R37-E84 PolarHBondContact NE-OE2 3.47Å; R37-E84 IonicContact NH2-OE2 3.09Å; R37-E84 PolarHBondContact NH2-OE2 3.12Å |
| 85 | N | 93.9 | Very high | 93.4 | Very high | 59 Ų | 59 | 54 Ų | 54 | 32% | 0.316 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -133.9 | 76.2 | -177.7 | -59 | -76.6 | 0 | 0 | 0 | 111.4 | S33 I34 A101 | S33-N85 WeakPolarHBondContact OG-CB 3.48Å; I34-N85 WeakPolarHBondContact O-CB 3.14Å; I34-N85 PolarHBondContact O-N 3.17Å; I34-N85 VanDerWaalsContact O-N 3.1Å; I34-N85 PolarHBondContact O-ND2 3.06Å; N85-A101 HydrophobicContact CB-CB 4.13Å; N85-A101 PolarHBondContact O-N 3.44Å |
| 86 | V | 95.9 | Very high | 93.3 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 17% | 0.17 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 140.2 | 178.1 | 79.7 | 0 | 0 | 0 | 0 | 111.6 | F83 F88 L98 T99 | F83-V86 HydrophobicContact CB-CB 4.03Å; F83-V86 HydrophobicContact CB-CG1 3.4Å; F83-V86 VanDerWaalsContact CB-CG1 3.4Å; F83-V86 HydrophobicContact CD1-CB 3.99Å; F83-V86 HydrophobicContact CD1-CG1 3.91Å; F83-V86 HydrophobicContact CD1-CG2 4.29Å; F83-V86 HydrophobicContact CD2-CG1 3.98Å; F83-V86 HydrophobicContact CG-CB 4.09Å; F83-V86 HydrophobicContact CG-CG1 3.5Å; V86-F88 HydrophobicContact CG1-CD2 4.45Å; V86-F88 HydrophobicContact CG1-CE2 3.64Å; V86-F88 HydrophobicContact CG1-CZ 3.96Å; V86-L98 HydrophobicContact CG2-CB 3.89Å; V86-L98 HydrophobicContact CG2-CD2 4.08Å; V86-L98 HydrophobicContact CG2-CG 3.96Å; V86-T99 WeakPolarHBondContact CG2-O 3.46Å |
| 87 | G | 95.1 | Very high | 93.2 | Very high | 13 Ų | 13 | 58.4 Ų | 58.4 | 13% | 0.134 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 155.4 | 168 | 0 | 0 | 0 | 0 | 0 | 111 | L98 T99 | G87-L98 CarbonylContact O-C 3.58Å; G87-L98 WeakPolarHBondContact O-CA 3.44Å; G87-T99 PolarHBondContact N-O 3.48Å; G87-T99 PolarHBondContact O-N 2.91Å |
| 88 | F | 93.8 | Very high | 93.3 | Very high | 45 Ų | 45 | 58.4 Ų | 58.4 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 138.6 | 172.7 | -64.7 | -92.3 | 0 | 0 | 0 | 110 | K56 V86 Y97 L98 Y121 | K56-F88 WeakPolarHBondContact CE-O 3.25Å; K56-F88 PolarHBondContact NZ-O 2.85Å; V86-F88 HydrophobicContact CG1-CD2 4.45Å; V86-F88 HydrophobicContact CG1-CE2 3.64Å; V86-F88 HydrophobicContact CG1-CZ 3.96Å; F88-Y97 WeakPolarHBondContact CA-O 3.4Å; F88-L98 HydrophobicContact CD1-CD1 3.96Å; F88-L98 HydrophobicContact CD1-CG 4.15Å; F88-L98 HydrophobicContact CE1-CD1 3.69Å; F88-L98 HydrophobicContact CE1-CD2 4.47Å; F88-L98 HydrophobicContact CE1-CG 3.77Å; F88-L98 HydrophobicContact CZ-CG 4.43Å; F88-Y121 AromaticContact CE1-CD1 3.8Å; F88-Y121 HydrophobicContact CE1-CD1 3.8Å; F88-Y121 AromaticContact CE1-CE1 3.89Å; F88-Y121 HydrophobicContact CE1-CE1 3.89Å; F88-Y121 HydrophobicContact CZ-CD1 4.14Å; F88-Y121 HydrophobicContact CZ-CE1 4.14Å |
| 89 | T | 92.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 53.8 Ų | 53.8 | 1% | 0.006 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -69.8 | 170.7 | 168.5 | 64.9 | 0 | 0 | 0 | 0 | 111.2 | K56 L59 R96 Y97 T99 | K56-T89 HydrophobicContact CG-CG2 4.07Å; L59-T89 HydrophobicContact CB-CG2 3.86Å; L59-T89 HydrophobicContact CD1-CG2 4.43Å; T89-R96 PolarHBondContact O-NE 3.34Å; T89-Y97 PolarHBondContact N-O 2.86Å; T89-Y97 PolarHBondContact OG1-N 2.97Å; T89-T99 HydrophobicContact CG2-CG2 4.09Å |
| 90 | N | 91 | Very high | 93.5 | Very high | 113 Ų | 113 | 50.2 Ų | 50.2 | 60% | 0.604 | 26% | 0.257 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 156.2 | 158.2 | -67.6 | -22.2 | 0 | 0 | 0 | 109.5 | V92 | N90-V92 PolarHBondContact O-N 3.08Š|
| 91 | T | 91.1 | Very high | 93.6 | Very high | 73 Ų | 73 | 48.2 Ų | 48.2 | 45% | 0.448 | 26% | 0.255 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 124.9 | 175.4 | -51.8 | 0 | 0 | 0 | 0 | 109.5 | S93 F95 R96 | T91-S93 VanDerWaalsContact CG2-O 3.26Å; T91-S93 WeakPolarHBondContact CG2-O 3.26Å; T91-F95 WeakPolarHBondContact CA-O 3.4Å; T91-R96 HydrophobicContact CG2-CG 4.45Å; T91-R96 WeakPolarHBondContact OG1-CG 3.37Å |
| 92 | V | 87.2 | Confident | 93.8 | Very high | 21 Ų | 21 | 44.1 Ų | 44.1 | 13% | 0.127 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -113.6 | 113.9 | 170.2 | 178.5 | 0 | 0 | 0 | 0 | 107.1 | L59 N90 T94 F95 Y97 | L59-V92 VanDerWaalsContact O-CG2 3.27Å; L59-V92 WeakPolarHBondContact O-CG2 3.39Å; N90-V92 PolarHBondContact O-N 3.08Å; V92-T94 PolarHBondContact O-N 3.05Å; V92-T94 VanDerWaalsContact O-N 3.13Å; V92-F95 PolarHBondContact N-O 3.36Å; V92-F95 PolarHBondContact O-N 2.87Å; V92-Y97 HydrophobicContact CB-CE2 4.44Å |
| 93 | S | 87.9 | Confident | 93.7 | Very high | 101 Ų | 101 | 45 Ų | 45 | 71% | 0.706 | 25% | 0.25 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.1 | -109.1 | -166.1 | -172.6 | 0 | 0 | 0 | 0 | 111 | T91 | T91-S93 VanDerWaalsContact CG2-O 3.26Å; T91-S93 WeakPolarHBondContact CG2-O 3.26Å |
| 94 | T | 91.6 | Very high | 93.6 | Very high | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.129 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | -6.7 | 176.6 | 64.4 | 0 | 0 | 0 | 0 | 112.7 | V92 D112 T113 Q114 | V92-T94 PolarHBondContact O-N 3.05Å; V92-T94 VanDerWaalsContact O-N 3.13Å; T94-D112 WeakPolarHBondContact CB-OD1 3.41Å; T94-D112 PolarHBondContact OG1-OD1 2.93Å; T94-T113 WeakPolarHBondContact O-CB 3.34Å; T94-T113 PolarHBondContact O-N 2.78Å; T94-T113 PolarHBondContact O-OG1 3.15Å; T94-Q114 HydrophobicContact CG2-CB 3.96Å; T94-Q114 HydrophobicContact CG2-CG 3.73Å |
| 95 | F | 92.4 | Very high | 93.4 | Very high | 46 Ų | 46 | 45.5 Ų | 45.5 | 20% | 0.202 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 138.3 | -169.7 | -57.9 | -66.2 | 0 | 0 | 0 | 112.7 | H48 T91 V92 Y97 F110 H111 D112 | H48-F95 AromaticContact CE1-CE1 3.54Å; H48-F95 AromaticContact CE1-CZ 3.64Å; T91-F95 WeakPolarHBondContact CA-O 3.4Å; V92-F95 PolarHBondContact N-O 3.36Å; V92-F95 PolarHBondContact O-N 2.87Å; F95-Y97 HydrophobicContact CB-CE1 4.29Å; F95-F110 AromaticContact CD1-CD2 3.94Å; F95-F110 HydrophobicContact CD1-CD2 3.94Å; F95-F110 HydrophobicContact CE1-CD2 4.23Å; F95-F110 HydrophobicContact CE1-CE2 4.42Å; F95-H111 WeakPolarHBondContact CA-O 3.31Å; F95-D112 HydrophobicContact CD1-CB 4.01Å; F95-D112 HydrophobicContact CE1-CB 3.85Å; F95-D112 WeakPolarHBondContact CE1-OD2 3.08Å |
| 96 | R | 94.1 | Very high | 93.3 | Very high | 91 Ų | 91 | 42.7 Ų | 42.7 | 34% | 0.343 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 122.4 | 160.9 | -64.1 | -177.1 | 71 | -171.2 | 2.7 | 108.1 | T89 T91 F110 H111 T113 | T89-R96 PolarHBondContact O-NE 3.34Å; T91-R96 HydrophobicContact CG2-CG 4.45Å; T91-R96 WeakPolarHBondContact OG1-CG 3.37Å; R96-F110 CarbonylContact O-C 3.48Å; R96-F110 WeakPolarHBondContact O-CA 3.27Å; R96-H111 PolarHBondContact N-O 3.45Å; R96-H111 PolarHBondContact O-N 3.44Å; R96-T113 HydrophobicContact CG-CG2 3.96Å |
| 97 | Y | 95.1 | Very high | 93.3 | Very high | 21 Ų | 21 | 41.3 Ų | 41.3 | 8% | 0.082 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 140.7 | 179.2 | -63.2 | -64 | 0 | 0 | 0 | 110.8 | L50 P51 L59 F88 T89 V92 F95 P107 F110 | L50-Y97 HydrophobicContact CD2-CD1 4.35Å; L50-Y97 HydrophobicContact CD2-CE1 4.31Å; P51-Y97 VanDerWaalsContact CD-CE1 3.43Å; P51-Y97 HydrophobicContact CG-CD1 4.46Å; P51-Y97 HydrophobicContact CG-CE1 3.79Å; P51-Y97 HydrophobicContact CG-CE2 4Å; L59-Y97 HydrophobicContact CB-CD2 4.36Å; L59-Y97 HydrophobicContact CD2-CD2 4.5Å; F88-Y97 WeakPolarHBondContact CA-O 3.4Å; T89-Y97 PolarHBondContact N-O 2.86Å; T89-Y97 PolarHBondContact OG1-N 2.97Å; V92-Y97 HydrophobicContact CB-CE2 4.44Å; F95-Y97 HydrophobicContact CB-CE1 4.29Å; Y97-P107 HydrophobicContact CD1-CB 3.94Å; Y97-P107 HydrophobicContact CD1-CG 4.49Å; Y97-P107 HydrophobicContact CG-CB 4.16Å; Y97-F110 HydrophobicContact CD1-CB 4.12Å; Y97-F110 HydrophobicContact CE1-CB 4.42Å |
| 98 | L | 96.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.8 | 176.7 | -77.8 | 64.9 | 0 | 0 | 0 | 108.9 | F83 V86 G87 F88 P107 L108 G109 H111 V123 | F83-L98 HydrophobicContact CE1-CD2 3.84Å; F83-L98 HydrophobicContact CE2-CD2 4.36Å; F83-L98 HydrophobicContact CZ-CD2 3.6Å; V86-L98 HydrophobicContact CG2-CB 3.89Å; V86-L98 HydrophobicContact CG2-CD2 4.08Å; V86-L98 HydrophobicContact CG2-CG 3.96Å; G87-L98 CarbonylContact O-C 3.58Å; G87-L98 WeakPolarHBondContact O-CA 3.44Å; F88-L98 HydrophobicContact CD1-CD1 3.96Å; F88-L98 HydrophobicContact CD1-CG 4.15Å; F88-L98 HydrophobicContact CE1-CD1 3.69Å; F88-L98 HydrophobicContact CE1-CD2 4.47Å; F88-L98 HydrophobicContact CE1-CG 3.77Å; F88-L98 HydrophobicContact CZ-CG 4.43Å; L98-P107 CarbonylContact O-C 3.57Å; L98-P107 VanDerWaalsContact O-CA 3.29Å; L98-P107 WeakPolarHBondContact O-CA 3.29Å; L98-L108 PolarHBondContact O-N 3.15Å; L98-G109 PolarHBondContact N-O 2.93Å; L98-H111 HydrophobicContact CD1-CB 4.28Å; L98-V123 HydrophobicContact CD2-CG2 4Å |
| 99 | T | 96 | Very high | 93.5 | Very high | 2 Ų | 2 | 38.6 Ų | 38.6 | 1% | 0.012 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 159.9 | 176.2 | 69.4 | 0 | 0 | 0 | 0 | 109.8 | K56 L59 V86 G87 T89 A101 L105 | K56-T99 HydrophobicContact CB-CG2 4.15Å; K56-T99 HydrophobicContact CG-CG2 4.25Å; L59-T99 HydrophobicContact CD1-CG2 4.48Å; V86-T99 WeakPolarHBondContact CG2-O 3.46Å; G87-T99 PolarHBondContact N-O 3.48Å; G87-T99 PolarHBondContact O-N 2.91Å; T89-T99 HydrophobicContact CG2-CG2 4.09Å; T99-A101 PolarHBondContact O-N 3.18Å; T99-L105 CarbonylContact C-O 3.4Å; T99-L105 WeakPolarHBondContact CA-O 3Å |
| 100 | C | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.6 | 133.5 | 166.2 | 179.3 | 0 | 0 | 0 | 0 | 109.4 | C28 C31 D102 E104 L105 L108 | C28-C100 HydrophobicContact CB-CB 4.14Å; C31-C100 PolarHBondContact SG-SG 3.35Å; C100-D102 VanDerWaalsContact C-N 3.34Å; C100-D102 PolarHBondContact SG-N 3.24Å; C100-E104 WeakPolarHBondContact O-CA 3.41Å; C100-E104 PolarHBondContact O-N 3.03Å; C100-E104 VanDerWaalsContact O-N 3.1Å; C100-L105 PolarHBondContact N-O 2.76Å; C100-L108 HydrophobicContact CB-CD1 4.16Å |
| 101 | A | 95.1 | Very high | 93.9 | Very high | 49 Ų | 49 | 33.9 Ų | 33.9 | 41% | 0.405 | 19% | 0.189 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70 | -30.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | N85 T99 | N85-A101 HydrophobicContact CB-CB 4.13Å; N85-A101 PolarHBondContact O-N 3.44Å; T99-A101 PolarHBondContact O-N 3.18Å |
| 102 | D | 95.3 | Very high | 94 | Very high | 107 Ų | 107 | 31.1 Ų | 31.1 | 57% | 0.572 | 17% | 0.171 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -40.6 | -173.8 | -64.1 | -29.3 | 0 | 0 | 0 | 113.8 | S33 C100 | S33-D102 WeakPolarHBondContact CB-OD2 3.43Å; S33-D102 PolarHBondContact OG-OD2 2.67Å; C100-D102 VanDerWaalsContact C-N 3.34Å; C100-D102 PolarHBondContact SG-N 3.24Å |
| 103 | C | 94.2 | Very high | 94.3 | Very high | 43 Ų | 43 | 32.7 Ų | 32.7 | 29% | 0.291 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -115.2 | 2.8 | -176.2 | 72.9 | 0 | 0 | 0 | 0 | 114.4 | C31 L105 | C31-C103 HydrophobicContact CB-CB 4.18Å; C31-C103 VanDerWaalsContact SG-SG 3.63Å; C103-L105 PolarHBondContact O-N 2.83Å |
| 104 | E | 93.4 | Very high | 94.4 | Very high | 105 Ų | 105 | 35 Ų | 35 | 49% | 0.491 | 18% | 0.181 | S | C | . | . | trans | 57 | 10.9 | 178.6 | -55 | -168.3 | 141.3 | 0 | 0 | 116.1 | K56 C100 G106 | K56-E104 PolarHBondContact N-O 2.93Å; C100-E104 WeakPolarHBondContact O-CA 3.41Å; C100-E104 PolarHBondContact O-N 3.03Å; C100-E104 VanDerWaalsContact O-N 3.1Å; E104-G106 PolarHBondContact O-N 3.42Å | ||
| 105 | L | 92.7 | Very high | 94.2 | Very high | 15 Ų | 15 | 41 Ų | 41 | 8% | 0.079 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 129.8 | 173.9 | -178.4 | 70.8 | 0 | 0 | 0 | 109.7 | P29 R30 F53 T99 C100 C103 | P29-L105 HydrophobicContact CG-CD2 4.02Å; R30-L105 HydrophobicContact CB-CD2 3.71Å; F53-L105 HydrophobicContact CB-CD1 4.17Å; F53-L105 HydrophobicContact CD1-CD1 3.76Å; F53-L105 HydrophobicContact CD1-CD2 4.14Å; F53-L105 HydrophobicContact CD1-CG 3.74Å; F53-L105 HydrophobicContact CE1-CD1 4.39Å; F53-L105 HydrophobicContact CE1-CD2 3.94Å; F53-L105 HydrophobicContact CE1-CG 3.9Å; F53-L105 HydrophobicContact CG-CD1 4.17Å; F53-L105 HydrophobicContact CZ-CD2 4.41Å; T99-L105 CarbonylContact C-O 3.4Å; T99-L105 WeakPolarHBondContact CA-O 3Å; C100-L105 PolarHBondContact N-O 2.76Å; C103-L105 PolarHBondContact O-N 2.83Å |
| 106 | G | 92.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -162.7 | -177.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F53 A54 E104 | F53-G106 CarbonylContact C-O 3.49Å; F53-G106 VanDerWaalsContact CA-O 3.25Å; F53-G106 WeakPolarHBondContact CA-O 3.3Å; A54-G106 CarbonylContact C-O 3.45Å; A54-G106 PolarHBondContact N-O 3.48Å; A54-G106 CarbonylContact O-C 3.55Å; A54-G106 PolarHBondContact O-N 3.34Å; A54-G106 VanDerWaalsContact O-N 3.15Å; E104-G106 PolarHBondContact O-N 3.42Å |
| 107 | P | 95.3 | Very high | 93.5 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.233 | C | C | . | . | cis | -73.6 | 132.8 | -6.8 | 31.5 | -32.7 | 0 | 0 | 0 | 110.5 | L50 P51 V52 L59 Y97 L98 G109 R127 | L50-P107 HydrophobicContact CB-CG 4.47Å; L50-P107 HydrophobicContact CD2-CB 4.46Å; L50-P107 HydrophobicContact CD2-CG 4.44Å; P51-P107 HydrophobicContact CB-CG 4.05Å; P51-P107 HydrophobicContact CG-CG 4.39Å; P51-P107 VanDerWaalsContact O-CD 3.31Å; P51-P107 WeakPolarHBondContact O-CD 3.32Å; P51-P107 WeakPolarHBondContact O-CG 3.28Å; V52-P107 WeakPolarHBondContact O-CD 3.39Å; L59-P107 HydrophobicContact CD1-CB 4.44Å; Y97-P107 HydrophobicContact CD1-CB 3.94Å; Y97-P107 HydrophobicContact CD1-CG 4.49Å; Y97-P107 HydrophobicContact CG-CB 4.16Å; L98-P107 CarbonylContact O-C 3.57Å; L98-P107 VanDerWaalsContact O-CA 3.29Å; L98-P107 WeakPolarHBondContact O-CA 3.29Å; P107-G109 VanDerWaalsContact C-N 3.26Å; P107-R127 PolarHBondContact O-NH1 2.98Å | ||
| 108 | L | 96.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -78.2 | -19.5 | 162.2 | -59.1 | 178.8 | 0 | 0 | 0 | 110.9 | V35 F53 L98 C100 A124 R127 T128 | V35-L108 HydrophobicContact CG2-CD1 3.82Å; F53-L108 HydrophobicContact CE1-CD2 4.12Å; L98-L108 PolarHBondContact O-N 3.15Å; C100-L108 HydrophobicContact CB-CD1 4.16Å; L108-A124 PolarHBondContact O-N 3.43Å; L108-R127 VanDerWaalsContact CD2-O 3.28Å; L108-R127 WeakPolarHBondContact CD2-O 2.94Å; L108-T128 HydrophobicContact CD2-CG2 4.38Å |
| 109 | G | 96.8 | Very high | 93 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 177.9 | -171.4 | -170.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L98 P107 Y122 | L98-G109 PolarHBondContact N-O 2.93Å; P107-G109 VanDerWaalsContact C-N 3.26Å; G109-Y122 CarbonylContact C-O 3.52Å; G109-Y122 WeakPolarHBondContact CA-O 3.25Å |
| 110 | F | 96.1 | Very high | 92.9 | Very high | 1 Ų | 1 | 48.5 Ų | 48.5 | 0% | 0.004 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 162.5 | 179.8 | 74.4 | -80.9 | 0 | 0 | 0 | 112.6 | K46 H48 L50 F74 F95 R96 Y97 Y122 | K46-F110 HydrophobicContact CD-CZ 4.12Å; H48-F110 HydrophobicContact CB-CE1 3.82Å; H48-F110 HydrophobicContact CB-CZ 4.01Å; H48-F110 AromaticContact CD2-CD1 3.41Å; H48-F110 VanDerWaalsContact CD2-CD1 3.41Å; H48-F110 WeakPolarHBondContact CD2-CD1 3.41Å; H48-F110 AromaticContact CD2-CE1 3.4Å; H48-F110 VanDerWaalsContact CD2-CE1 3.4Å; H48-F110 WeakPolarHBondContact CD2-CE1 3.48Å; H48-F110 AromaticContact CD2-CG 3.84Å; H48-F110 AromaticContact CD2-CZ 3.83Å; H48-F110 AromaticContact CE1-CE2 3.93Å; H48-F110 AromaticContact CG-CE1 3.53Å; H48-F110 AromaticContact CG-CZ 3.61Å; H48-F110 AromaticContact ND1-CZ 3.82Å; H48-F110 AromaticContact NE2-CD1 3.77Å; H48-F110 AromaticContact NE2-CD2 3.83Å; H48-F110 AromaticContact NE2-CG 3.66Å; L50-F110 HydrophobicContact CD2-CB 4.03Å; L50-F110 HydrophobicContact CD2-CD1 3.88Å; L50-F110 HydrophobicContact CD2-CG 4.33Å; F74-F110 HydrophobicContact CD1-CE1 4.15Å; F74-F110 AromaticContact CE1-CD1 3.9Å; F74-F110 HydrophobicContact CE1-CD1 3.9Å; F74-F110 AromaticContact CE1-CE1 3.63Å; F74-F110 HydrophobicContact CE1-CE1 3.63Å; F74-F110 HydrophobicContact CE2-CE1 4.47Å; F74-F110 HydrophobicContact CZ-CD1 4.38Å; F74-F110 AromaticContact CZ-CE1 3.82Å; F74-F110 HydrophobicContact CZ-CE1 3.82Å; F95-F110 AromaticContact CD1-CD2 3.94Å; F95-F110 HydrophobicContact CD1-CD2 3.94Å; F95-F110 HydrophobicContact CE1-CD2 4.23Å; F95-F110 HydrophobicContact CE1-CE2 4.42Å; R96-F110 CarbonylContact O-C 3.48Å; R96-F110 WeakPolarHBondContact O-CA 3.27Å; Y97-F110 HydrophobicContact CD1-CB 4.12Å; Y97-F110 HydrophobicContact CE1-CB 4.42Å; F110-Y122 HydrophobicContact CD2-CD2 4.38Å; F110-Y122 HydrophobicContact CE1-CD2 4.15Å; F110-Y122 HydrophobicContact CE1-CG 4.08Å; F110-Y122 AromaticContact CE2-CD2 3.74Å; F110-Y122 HydrophobicContact CE2-CD2 3.74Å; F110-Y122 HydrophobicContact CE2-CE2 4.32Å; F110-Y122 HydrophobicContact CE2-CG 4.47Å; F110-Y122 AromaticContact CZ-CD2 3.62Å; F110-Y122 HydrophobicContact CZ-CD2 3.62Å; F110-Y122 HydrophobicContact CZ-CE2 4.31Å; F110-Y122 AromaticContact CZ-CG 3.94Å; F110-Y122 HydrophobicContact CZ-CG 3.94Å; F110-Y122 PolarHBondContact N-O 2.69Å; F110-Y122 PolarHBondContact O-N 2.95Å |
| 111 | H | 95.9 | Very high | 93 | Very high | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.065 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 127.4 | 167.5 | 165.4 | 63.4 | 0 | 0 | 0 | 108 | F95 R96 L98 T118 A120 Y121 | F95-H111 WeakPolarHBondContact CA-O 3.31Å; R96-H111 PolarHBondContact N-O 3.45Å; R96-H111 PolarHBondContact O-N 3.44Å; L98-H111 HydrophobicContact CD1-CB 4.28Å; H111-T118 PolarHBondContact CE1-O 2.82Å; H111-A120 PolarHBondContact ND1-O 2.69Å; H111-Y121 HydrophobicContact CB-CD1 3.67Å; H111-Y121 HydrophobicContact CB-CE1 3.97Å; H111-Y121 AromaticContact CG-CD1 3.8Å; H111-Y121 AromaticContact CG-CE1 3.63Å; H111-Y121 AromaticContact ND1-CD1 3.92Å; H111-Y121 AromaticContact ND1-CE1 3.71Å |
| 112 | D | 94.4 | Very high | 93.1 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 8% | 0.08 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 123.3 | 173.4 | -165.4 | -31.3 | 0 | 0 | 0 | 109.3 | T94 F95 Q114 E115 | T94-D112 WeakPolarHBondContact CB-OD1 3.41Å; T94-D112 PolarHBondContact OG1-OD1 2.93Å; F95-D112 HydrophobicContact CD1-CB 4.01Å; F95-D112 HydrophobicContact CE1-CB 3.85Å; F95-D112 WeakPolarHBondContact CE1-OD2 3.08Å; D112-Q114 PolarHBondContact OD1-N 2.82Å; D112-E115 WeakPolarHBondContact CB-O 3.31Å; D112-E115 PolarHBondContact OD1-N 2.95Å |
| 113 | T | 92.4 | Very high | 93.2 | Very high | 55 Ų | 55 | 43.3 Ų | 43.3 | 34% | 0.337 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -86.7 | -8.4 | -178 | 59.2 | 0 | 0 | 0 | 0 | 113.2 | T94 R96 | T94-T113 WeakPolarHBondContact O-CB 3.34Å; T94-T113 PolarHBondContact O-N 2.78Å; T94-T113 PolarHBondContact O-OG1 3.15Å; R96-T113 HydrophobicContact CG-CG2 3.96Å |
| 114 | Q | 90.6 | Very high | 93.3 | Very high | 150 Ų | 150 | 41.2 Ų | 41.2 | 70% | 0.701 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -120.5 | -39.4 | -177.8 | -63.6 | -167.7 | 10.3 | 0 | 0 | 113.2 | T94 D112 | T94-Q114 HydrophobicContact CG2-CB 3.96Å; T94-Q114 HydrophobicContact CG2-CG 3.73Å; D112-Q114 PolarHBondContact OD1-N 2.82Å |
| 115 | E | 86.7 | Confident | 93.3 | Very high | 146 Ų | 146 | 36.4 Ų | 36.4 | 68% | 0.682 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -105.5 | 134.5 | -178.4 | -58.5 | -170.4 | -178.8 | 0 | 0 | 113.2 | D112 | D112-E115 WeakPolarHBondContact CB-O 3.31Å; D112-E115 PolarHBondContact OD1-N 2.95Å |
| 116 | G | 83.4 | Confident | 93.3 | Very high | 62 Ų | 62 | 40.2 Ų | 40.2 | 64% | 0.639 | 23% | 0.23 | S | C | * | . | S | Bend | trans | 88.4 | -168 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | T118 | G116-T118 PolarHBondContact O-N 3.26Š|
| 117 | P | 88.6 | Confident | 93.4 | Very high | 68 Ų | 68 | 40.4 Ų | 40.4 | 44% | 0.442 | 23% | 0.231 | S | C | . | . | trans | -65.2 | 129.2 | 177.2 | -17.1 | 30.4 | 0 | 0 | 0 | 110.6 | N119 A120 | P117-N119 WeakPolarHBondContact CB-OD1 2.9Å; P117-N119 PolarHBondContact O-N 3.13Å; P117-A120 HydrophobicContact CB-CB 4.02Å; P117-A120 HydrophobicContact CG-CB 4.19Å; P117-A120 WeakPolarHBondContact O-CB 3.27Å; P117-A120 PolarHBondContact O-N 2.88Å | ||
| 118 | T | 88.1 | Confident | 93.4 | Very high | 115 Ų | 115 | 40.8 Ų | 40.8 | 71% | 0.706 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -14.5 | -177.6 | 53.4 | 0 | 0 | 0 | 0 | 114.1 | H111 G116 | H111-T118 PolarHBondContact CE1-O 2.82Å; G116-T118 PolarHBondContact O-N 3.26Å |
| 119 | N | 92.7 | Very high | 93.3 | Very high | 71 Ų | 71 | 43 Ų | 43 | 38% | 0.38 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -110.8 | 9.5 | 179.9 | 62.4 | -35.2 | 0 | 0 | 0 | 113 | N78 P117 Y121 | N78-N119 CarbonylContact C-O 3.03Å; N78-N119 WeakPolarHBondContact CA-O 3.46Å; N78-N119 WeakPolarHBondContact O-CB 3.31Å; N78-N119 PolarHBondContact O-ND2 2.85Å; P117-N119 WeakPolarHBondContact CB-OD1 2.9Å; P117-N119 PolarHBondContact O-N 3.13Å; N119-Y121 WeakPolarHBondContact O-CD2 3.1Å; N119-Y121 WeakPolarHBondContact O-CE2 3.44Å |
| 120 | A | 95.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 43.5 Ų | 43.5 | 3% | 0.025 | 25% | 0.25 | C | S | . | . | trans | -86 | 126 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | H111 P117 Y122 | H111-A120 PolarHBondContact ND1-O 2.69Å; P117-A120 HydrophobicContact CB-CB 4.02Å; P117-A120 HydrophobicContact CG-CB 4.19Å; P117-A120 WeakPolarHBondContact O-CB 3.27Å; P117-A120 PolarHBondContact O-N 2.88Å; A120-Y122 HydrophobicContact CB-CE2 4.01Å | ||
| 121 | Y | 97.4 | Very high | 92.5 | Very high | 14 Ų | 14 | 47.1 Ų | 47.1 | 6% | 0.055 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 131.3 | 177.1 | -54.8 | -87.2 | 0 | 0 | 0 | 108.8 | C76 V77 M80 F83 F88 H111 N119 | C76-Y121 CarbonylContact C-O 3.58Å; C76-Y121 WeakPolarHBondContact CA-O 3.08Å; V77-Y121 PolarHBondContact N-O 2.95Å; V77-Y121 WeakPolarHBondContact O-CD2 3.35Å; V77-Y121 PolarHBondContact O-N 2.91Å; M80-Y121 HydrophobicContact CB-CE1 4.45Å; M80-Y121 HydrophobicContact CB-CE2 3.84Å; M80-Y121 WeakPolarHBondContact CE-OH 3.41Å; F83-Y121 HydrophobicContact CE2-CD1 4.29Å; F83-Y121 HydrophobicContact CE2-CD2 4.1Å; F83-Y121 AromaticContact CE2-CG 3.75Å; F83-Y121 HydrophobicContact CE2-CG 3.75Å; F83-Y121 HydrophobicContact CZ-CG 4.26Å; F88-Y121 AromaticContact CE1-CD1 3.8Å; F88-Y121 HydrophobicContact CE1-CD1 3.8Å; F88-Y121 AromaticContact CE1-CE1 3.89Å; F88-Y121 HydrophobicContact CE1-CE1 3.89Å; F88-Y121 HydrophobicContact CZ-CD1 4.14Å; F88-Y121 HydrophobicContact CZ-CE1 4.14Å; H111-Y121 HydrophobicContact CB-CD1 3.67Å; H111-Y121 HydrophobicContact CB-CE1 3.97Å; H111-Y121 AromaticContact CG-CD1 3.8Å; H111-Y121 AromaticContact CG-CE1 3.63Å; H111-Y121 AromaticContact ND1-CD1 3.92Å; H111-Y121 AromaticContact ND1-CE1 3.71Å; N119-Y121 WeakPolarHBondContact O-CD2 3.1Å; N119-Y121 WeakPolarHBondContact O-CE2 3.44Å |
| 122 | Y | 97.3 | Very high | 91.3 | Very high | 32 Ų | 32 | 51.3 Ų | 51.3 | 13% | 0.125 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 120.1 | -174.9 | -61.7 | -83 | 0 | 0 | 0 | 110.3 | A44 K46 F74 W75 C76 G109 F110 A120 | A44-Y122 HydrophobicContact CB-CD1 4.39Å; A44-Y122 HydrophobicContact CB-CE1 4.15Å; K46-Y122 HydrophobicContact CD-CD1 4.49Å; K46-Y122 HydrophobicContact CD-CE1 4.04Å; K46-Y122 HydrophobicContact CD-CE2 4.22Å; F74-Y122 HydrophobicContact CB-CD1 4.08Å; W75-Y122 WeakPolarHBondContact O-CA 3.37Å; C76-Y122 HydrophobicContact CB-CD1 4.01Å; C76-Y122 HydrophobicContact CB-CE1 3.97Å; G109-Y122 CarbonylContact C-O 3.52Å; G109-Y122 WeakPolarHBondContact CA-O 3.25Å; F110-Y122 HydrophobicContact CD2-CD2 4.38Å; F110-Y122 HydrophobicContact CE1-CD2 4.15Å; F110-Y122 HydrophobicContact CE1-CG 4.08Å; F110-Y122 AromaticContact CE2-CD2 3.74Å; F110-Y122 HydrophobicContact CE2-CD2 3.74Å; F110-Y122 HydrophobicContact CE2-CE2 4.32Å; F110-Y122 HydrophobicContact CE2-CG 4.47Å; F110-Y122 AromaticContact CZ-CD2 3.62Å; F110-Y122 HydrophobicContact CZ-CD2 3.62Å; F110-Y122 HydrophobicContact CZ-CE2 4.31Å; F110-Y122 AromaticContact CZ-CG 3.94Å; F110-Y122 HydrophobicContact CZ-CG 3.94Å; F110-Y122 PolarHBondContact N-O 2.69Å; F110-Y122 PolarHBondContact O-N 2.95Å; A120-Y122 HydrophobicContact CB-CE2 4.01Å |
| 123 | V | 97.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.6 | 176.3 | -178.1 | 0 | 0 | 0 | 0 | 109.2 | I26 L36 F74 W75 F83 L98 L125 T128 | I26-V123 HydrophobicContact CG2-CG1 4.31Å; L36-V123 HydrophobicContact CD1-CB 4.48Å; L36-V123 HydrophobicContact CD1-CG2 3.89Å; F74-V123 CarbonylContact C-O 3.49Å; F74-V123 VanDerWaalsContact CA-O 3.25Å; F74-V123 WeakPolarHBondContact CA-O 3.5Å; W75-V123 HydrophobicContact CB-CB 4.25Å; W75-V123 PolarHBondContact N-O 2.85Å; W75-V123 PolarHBondContact O-N 2.83Å; F83-V123 HydrophobicContact CE1-CG2 3.64Å; F83-V123 HydrophobicContact CZ-CG2 4.05Å; L98-V123 HydrophobicContact CD2-CG2 4Å; V123-L125 PolarHBondContact O-N 3.17Å; V123-T128 HydrophobicContact CG1-CG2 3.53Å |
| 124 | A | 96.7 | Very high | 87.2 | Confident | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 129.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | L50 T71 F74 L108 T126 R127 T128 | L50-A124 HydrophobicContact CD1-CB 3.71Å; T71-A124 HydrophobicContact CG2-CB 3.8Å; F74-A124 HydrophobicContact CD1-CB 4.02Å; F74-A124 HydrophobicContact CE1-CB 3.77Å; L108-A124 PolarHBondContact O-N 3.43Å; A124-T126 VanDerWaalsContact C-N 3.31Å; A124-T126 PolarHBondContact O-N 3.17Å; A124-R127 HydrophobicContact CB-CB 3.82Å; A124-R127 HydrophobicContact CB-CG 3.58Å; A124-R127 PolarHBondContact O-N 3.18Å; A124-T128 PolarHBondContact O-N 2.99Å; A124-T128 PolarHBondContact O-OG1 3.17Å; A124-T128 VanDerWaalsContact O-OG1 3.06Å |
| 125 | L | 94.5 | Very high | 85 | Confident | 4 Ų | 4 | 57.4 Ų | 57.4 | 2% | 0.021 | 34% | 0.34 | C | S | . | . | G | 310 helix | trans | -61.2 | -43.2 | 177.6 | -88.7 | 69.9 | 0 | 0 | 0 | 110.8 | N13 V14 L43 E73 W75 V123 R127 T128 | N13-L125 WeakPolarHBondContact O-CD2 3.46Å; V14-L125 HydrophobicContact CB-CD2 4.23Å; V14-L125 HydrophobicContact CG1-CD2 4.5Å; V14-L125 HydrophobicContact CG2-CD2 3.67Å; L43-L125 HydrophobicContact CD1-CD1 3.73Å; L43-L125 HydrophobicContact CD1-CD2 3.78Å; L43-L125 HydrophobicContact CD1-CG 4.44Å; E73-L125 HydrophobicContact CB-CB 4.38Å; E73-L125 HydrophobicContact CB-CD1 4.33Å; E73-L125 HydrophobicContact CB-CD2 4.22Å; E73-L125 PolarHBondContact O-N 2.72Å; E73-L125 VanDerWaalsContact O-N 3.12Å; W75-L125 HydrophobicContact CB-CD1 4.45Å; W75-L125 VanDerWaalsContact CD1-CD1 3.41Å; W75-L125 HydrophobicContact CD2-CD1 4.12Å; W75-L125 HydrophobicContact CG-CD1 3.78Å; V123-L125 PolarHBondContact O-N 3.17Å; L125-R127 PolarHBondContact O-N 3.04Å; L125-T128 PolarHBondContact O-N 3.3Å; L125-T128 PolarHBondContact O-OG1 2.92Å |
| 126 | T | 92.6 | Very high | 82.4 | Confident | 94 Ų | 94 | 56.3 Ų | 56.3 | 58% | 0.577 | 35% | 0.347 | S | S | * | . | G | 310 helix | trans | -67 | -14.7 | 179.2 | 57.2 | 0 | 0 | 0 | 0 | 114.2 | A124 | A124-T126 VanDerWaalsContact C-N 3.31Å; A124-T126 PolarHBondContact O-N 3.17Å |
| 127 | R | 93.9 | Very high | 80.2 | Confident | 4 Ų | 4 | 62.8 Ų | 62.8 | 2% | 0.015 | 36% | 0.357 | C | S | . | . | G | 310 helix | trans | -104.3 | 5.4 | -178.8 | -58.4 | -63.9 | -169.2 | 86.8 | 0.6 | 113 | P29 L50 P51 F53 E69 P107 L108 A124 L125 | P29-R127 VanDerWaalsContact CD-O 3.32Å; P29-R127 WeakPolarHBondContact CD-O 3.48Å; P29-R127 WeakPolarHBondContact CG-O 3.41Å; L50-R127 HydrophobicContact CD1-CG 4.48Å; P51-R127 PolarHBondContact O-NH1 3.27Å; P51-R127 PolarHBondContact O-NH2 3.35Å; F53-R127 HydrophobicContact CE1-CB 4.21Å; F53-R127 HydrophobicContact CE2-CB 4.48Å; F53-R127 HydrophobicContact CZ-CB 3.72Å; F53-R127 HydrophobicContact CZ-CG 4.11Å; E69-R127 IonicContact OE1-CZ 2.76Å; E69-R127 IonicContact OE1-NE 3.55Å; E69-R127 PolarHBondContact OE1-NE 3.01Å; E69-R127 IonicContact OE1-NH2 2.95Å; E69-R127 PolarHBondContact OE1-NH2 2.84Å; E69-R127 IonicContact OE2-NH2 3.3Å; P107-R127 PolarHBondContact O-NH1 2.98Å; L108-R127 VanDerWaalsContact CD2-O 3.28Å; L108-R127 WeakPolarHBondContact CD2-O 2.94Å; A124-R127 HydrophobicContact CB-CB 3.82Å; A124-R127 HydrophobicContact CB-CG 3.58Å; A124-R127 PolarHBondContact O-N 3.18Å; L125-R127 PolarHBondContact O-N 3.04Å |
| 128 | T | 95 | Very high | 77.6 | Confident | 8 Ų | 8 | 73 Ų | 73 | 5% | 0.049 | 40% | 0.395 | C | S | . | . | trans | -134.3 | 171.3 | -178.6 | 54.9 | 0 | 0 | 0 | 0 | 111 | I26 L27 L108 V123 A124 L125 | I26-T128 VanDerWaalsContact CG2-CB 3.42Å; I26-T128 HydrophobicContact CG2-CG2 3.66Å; I26-T128 WeakPolarHBondContact CG2-OG1 3.4Å; L27-T128 WeakPolarHBondContact O-CA 3.18Å; L27-T128 WeakPolarHBondContact O-CB 3.49Å; L108-T128 HydrophobicContact CD2-CG2 4.38Å; V123-T128 HydrophobicContact CG1-CG2 3.53Å; A124-T128 PolarHBondContact O-N 2.99Å; A124-T128 PolarHBondContact O-OG1 3.17Å; A124-T128 VanDerWaalsContact O-OG1 3.06Å; L125-T128 PolarHBondContact O-N 3.3Å; L125-T128 PolarHBondContact O-OG1 2.92Å | ||
| 129 | T | 94.4 | Very high | 77.1 | Confident | 48 Ų | 48 | 70.9 Ų | 70.9 | 29% | 0.294 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 165.3 | 172.8 | -171 | 0 | 0 | 0 | 0 | 109.8 | N13 L27 | N13-T129 VanDerWaalsContact OD1-C 3.27Å; N13-T129 VanDerWaalsContact OD1-CA 3.27Å; N13-T129 WeakPolarHBondContact OD1-CA 3.48Å; L27-T129 HydrophobicContact CB-CG2 3.82Å; L27-T129 HydrophobicContact CD1-CG2 4.43Å; L27-T129 PolarHBondContact N-O 3.09Å; L27-T129 PolarHBondContact O-N 3.18Å |
| 130 | T | 93.2 | Very high | 76.2 | Confident | 10 Ų | 10 | 70.9 Ų | 70.9 | 6% | 0.061 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 155 | 177.9 | 47.6 | 0 | 0 | 0 | 0 | 111.4 | A12 N13 F24 N25 I26 V132 | A12-T130 PolarHBondContact O-OG1 2.87Å; N13-T130 WeakPolarHBondContact OD1-CG2 3.17Å; N13-T130 PolarHBondContact OD1-N 3.26Å; N13-T130 PolarHBondContact OD1-OG1 3.49Å; F24-T130 HydrophobicContact CB-CG2 3.95Å; F24-T130 HydrophobicContact CD2-CG2 4.39Å; N25-T130 WeakPolarHBondContact O-CA 3.37Å; I26-T130 HydrophobicContact CD1-CG2 3.81Å; T130-V132 VanDerWaalsContact C-N 3.35Å; T130-V132 PolarHBondContact O-N 2.89Å |
| 131 | E | 83 | Confident | 75.2 | Confident | 77 Ų | 77 | 74.7 Ų | 74.7 | 36% | 0.36 | 40% | 0.399 | S | S | . | . | trans | -64.9 | 96.2 | 164.2 | -69.7 | 178.1 | -178.7 | 0 | 0 | 109.1 | F24 N25 L27 K133 | F24-E131 WeakPolarHBondContact CD1-O 3.48Å; N25-E131 HydrophobicContact CB-CG 4.19Å; N25-E131 PolarHBondContact ND2-OE1 3.14Å; N25-E131 PolarHBondContact ND2-OE2 3.3Å; N25-E131 VanDerWaalsContact ND2-OE2 3.11Å; N25-E131 PolarHBondContact O-N 2.8Å; L27-E131 HydrophobicContact CD1-CG 3.8Å; L27-E131 HydrophobicContact CD2-CG 4.32Å; L27-E131 HydrophobicContact CG-CG 4.35Å; E131-K133 PolarHBondContact O-N 3.41Å | ||
| 132 | V | 69.7 | Low | 73.9 | Confident | 102 Ų | 102 | 78.2 Ų | 78.2 | 62% | 0.618 | 42% | 0.419 | S | S | * | . | trans | -67.3 | 101.9 | 170 | -174.5 | 0 | 0 | 0 | 0 | 107.3 | A12 T130 S134 | A12-V132 HydrophobicContact CB-CG2 4.14Å; T130-V132 VanDerWaalsContact C-N 3.35Å; T130-V132 PolarHBondContact O-N 2.89Å; V132-S134 VanDerWaalsContact C-N 3.34Å; V132-S134 PolarHBondContact O-N 2.99Å | ||
| 133 | K | 55.7 | Low | 72.4 | Confident | 133 Ų | 133 | 81.1 Ų | 81.1 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | trans | -68.2 | 101.2 | 163.9 | -71.4 | -168.6 | 178.1 | -173.5 | 0 | 106.7 | F24 E131 S135 | F24-K133 HydrophobicContact CE1-CB 4.48Å; F24-K133 HydrophobicContact CE1-CG 4.39Å; E131-K133 PolarHBondContact O-N 3.41Å; K133-S135 PolarHBondContact O-N 3.37Å; K133-S135 PolarHBondContact O-OG 3.32Å | ||
| 134 | S | 45.1 | Very low | 70.8 | Confident | 110 Ų | 110 | 86.5 Ų | 86.5 | 77% | 0.769 | 47% | 0.466 | S | S | * | . | trans | -56.2 | 82.7 | 162.9 | 34.7 | 0 | 0 | 0 | 0 | 108.6 | V132 C136 | V132-S134 VanDerWaalsContact C-N 3.34Å; V132-S134 PolarHBondContact O-N 2.99Å; S134-C136 PolarHBondContact O-N 3.47Å | ||
| 135 | S | 44.3 | Very low | 68.9 | Low | 105 Ų | 105 | 92.7 Ų | 92.7 | 73% | 0.734 | 50% | 0.5 | S | S | * | . | trans | -83.2 | 53.5 | 172.9 | -54.9 | 0 | 0 | 0 | 0 | 108.2 | K133 K137 | K133-S135 PolarHBondContact O-N 3.37Å; K133-S135 PolarHBondContact O-OG 3.32Å; S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.28Å | ||
| 136 | C | 32.7 | Very low | 66.9 | Low | 123 Ų | 123 | 99.5 Ų | 99.5 | 83% | 0.831 | 54% | 0.536 | S | S | * | . | trans | -90 | 82.6 | 158.7 | -148.8 | 0 | 0 | 0 | 0 | 105.5 | S134 | S134-C136 PolarHBondContact O-N 3.47Š| ||
| 137 | K | 37.9 | Very low | 64.8 | Low | 197 Ų | 197 | 100 Ų | 100 | 86% | 0.857 | 53% | 0.533 | S | S | * | . | trans | -66.6 | 133.7 | 162.8 | -80.3 | -179.6 | 175.2 | 178.6 | 0 | 106.7 | S135 | S135-K137 VanDerWaalsContact C-N 3.31Å; S135-K137 PolarHBondContact O-N 3.28Å | ||
| 138 | K | 32.6 | Very low | 62.1 | Low | 283 Ų | 283 | 108.7 Ų | 108.7 | 100% | 1.23 | 58% | 0.58 | S | S | * | * | trans | -38.2 | 0 | 176.6 | -67.1 | 179.6 | 177.7 | 179.7 | 0 | 114 |
Retrieved 138 of 138 residues in 49.6 ms
(Link to these results)