| 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 | 53.1 | Low | 78.1 | Confident | 245 Ų | 245 | 132.5 Ų | 132.5 | 100% | 1.207 | 71% | 0.705 | S | S | * | * | 0 | 114.2 | 0 | -74.2 | -171.7 | -110 | 0 | 0 | 106.6 | |||||
| 2 | E | 78.8 | Confident | 78.6 | Confident | 196 Ų | 196 | 123.8 Ų | 123.8 | 92% | 0.916 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 134.3 | 174.5 | -70.1 | -179.2 | 159.3 | 0 | 0 | 109 | ||
| 3 | L | 74.6 | Confident | 78.8 | Confident | 163 Ų | 163 | 119.9 Ų | 119.9 | 85% | 0.853 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 138.6 | 177.6 | -76.6 | 154.8 | 0 | 0 | 0 | 109.1 | ||
| 4 | P | 76.5 | Confident | 78.4 | Confident | 103 Ų | 103 | 114.4 Ų | 114.4 | 67% | 0.669 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 150.1 | 172.8 | 27.1 | -33.6 | 0 | 0 | 0 | 109.9 | L6 | P4-L6 PolarHBondContact O-N 3.37Š|
| 5 | P | 78.8 | Confident | 78 | Confident | 98 Ų | 98 | 108.6 Ų | 108.6 | 64% | 0.636 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 133.7 | -179.4 | 26.2 | -34.1 | 0 | 0 | 0 | 110.4 | A7 | P5-A7 PolarHBondContact O-N 3.13Š|
| 6 | L | 80.1 | Confident | 77.5 | Confident | 192 Ų | 192 | 106.6 Ų | 106.6 | 100% | 1.005 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -65.9 | -17.5 | 177.8 | -69.7 | 172.2 | 0 | 0 | 0 | 113.1 | P4 | P4-L6 PolarHBondContact O-N 3.37Š|
| 7 | A | 83.1 | Confident | 76.6 | Confident | 84 Ų | 84 | 112.2 Ų | 112.2 | 69% | 0.694 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -131.1 | 133.6 | 179 | 0 | 0 | 0 | 0 | 0 | 109.9 | P5 | P5-A7 PolarHBondContact O-N 3.13Š|
| 8 | I | 82.3 | Confident | 76.1 | Confident | 111 Ų | 111 | 114.3 Ų | 114.3 | 57% | 0.569 | 60% | 0.604 | S | S | * | * | trans | -111.9 | 134 | 177.3 | -58.9 | 172.8 | 0 | 0 | 0 | 107.7 | L51 | I8-L51 HydrophobicContact CG2-CD1 3.82Š| ||
| 9 | R | 83.5 | Confident | 75.6 | Confident | 157 Ų | 157 | 109.9 Ų | 109.9 | 59% | 0.592 | 58% | 0.583 | S | S | * | * | trans | -77.7 | 125.1 | 173.6 | -176.8 | 178.2 | 174.6 | -172.5 | -6.3 | 109.1 | I50 | R9-I50 HydrophobicContact CG-CG2 4.26Š| ||
| 10 | C | 84.1 | Confident | 75.4 | Confident | 51 Ų | 51 | 105.5 Ų | 105.5 | 35% | 0.345 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -126.4 | 158.7 | 176 | -55.8 | 0 | 0 | 0 | 0 | 110.9 | L51 V53 | C10-L51 CarbonylContact C-O 3.56Å; C10-L51 VanDerWaalsContact CA-O 3.26Å; C10-L51 WeakPolarHBondContact CA-O 3.27Å; C10-L51 WeakPolarHBondContact CB-O 3.32Å; C10-V53 HydrophobicContact CB-CB 4.43Å; C10-V53 HydrophobicContact CB-CG1 3.8Å; C10-V53 HydrophobicContact CB-CG2 3.71Å |
| 11 | Q | 84.3 | Confident | 75.3 | Confident | 57 Ų | 57 | 108.4 Ų | 108.4 | 27% | 0.266 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -117 | 135.2 | 172.3 | -176.8 | 171.6 | 19.6 | 0 | 0 | 109 | S15 I50 L51 S52 V53 | Q11-S15 PolarHBondContact NE2-O 3.49Å; Q11-I50 HydrophobicContact CB-CG2 3.88Å; Q11-L51 PolarHBondContact N-O 2.86Å; Q11-S52 CarbonylContact O-C 3.53Å; Q11-S52 WeakPolarHBondContact O-CA 3.44Å; Q11-V53 PolarHBondContact O-N 3.18Å |
| 12 | I | 83.4 | Confident | 76.5 | Confident | 29 Ų | 29 | 106.7 Ų | 106.7 | 15% | 0.149 | 54% | 0.543 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 134.1 | 176.9 | -62.3 | 172.8 | 0 | 0 | 0 | 108.2 | G14 S15 F28 V53 L55 F64 | I12-G14 PolarHBondContact O-N 3.39Å; I12-S15 WeakPolarHBondContact O-CB 3.49Å; I12-S15 PolarHBondContact O-N 2.75Å; I12-S15 PolarHBondContact O-OG 3.03Å; I12-F28 HydrophobicContact CD1-CE1 4.02Å; I12-F28 HydrophobicContact CD1-CE2 4.04Å; I12-F28 HydrophobicContact CD1-CZ 3.34Å; I12-V53 VanDerWaalsContact CA-O 3.32Å; I12-V53 WeakPolarHBondContact CA-O 3.4Å; I12-V53 HydrophobicContact CG1-CG2 4.44Å; I12-L55 HydrophobicContact CD1-CB 4.41Å; I12-L55 HydrophobicContact CD1-CD2 4.24Å; I12-F64 HydrophobicContact CG2-CB 3.95Å; I12-F64 HydrophobicContact CG2-CD2 3.76Å; I12-F64 HydrophobicContact CG2-CG 4.2Å |
| 13 | I | 81.1 | Confident | 76.5 | Confident | 73 Ų | 73 | 100.7 Ų | 100.7 | 37% | 0.374 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 136.3 | 178 | -66 | -176 | 0 | 0 | 0 | 110.3 | S15 C43 V53 F64 | I13-S15 PolarHBondContact O-N 2.89Å; I13-C43 HydrophobicContact CD1-CB 3.55Å; I13-C43 WeakPolarHBondContact CD1-SG 3.5Å; I13-V53 PolarHBondContact N-O 3.36Å; I13-F64 WeakPolarHBondContact O-CD2 3.4Å; I13-F64 WeakPolarHBondContact O-CE2 3.44Å |
| 14 | G | 73.5 | Confident | 76.7 | Confident | 43 Ų | 43 | 94.6 Ų | 94.6 | 44% | 0.443 | 50% | 0.495 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.8 | -0.7 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I12 D16 F64 | I12-G14 PolarHBondContact O-N 3.39Å; G14-D16 PolarHBondContact O-N 2.98Å; G14-F64 VanDerWaalsContact C-CZ 3.5Å; G14-F64 WeakPolarHBondContact O-CE2 3.41Å; G14-F64 WeakPolarHBondContact O-CZ 3.18Å |
| 15 | S | 72.3 | Confident | 76.9 | Confident | 27 Ų | 27 | 92.6 Ų | 92.6 | 19% | 0.189 | 48% | 0.478 | C | S | . | . | trans | -81.3 | 84.6 | 176.4 | 84.6 | 0 | 0 | 0 | 0 | 111.6 | Q11 I12 I13 F20 | Q11-S15 PolarHBondContact NE2-O 3.49Å; I12-S15 WeakPolarHBondContact O-CB 3.49Å; I12-S15 PolarHBondContact O-N 2.75Å; I12-S15 PolarHBondContact O-OG 3.03Å; I13-S15 PolarHBondContact O-N 2.89Å; S15-F20 VanDerWaalsContact CA-CE2 3.44Å | ||
| 16 | D | 70.4 | Confident | 77.1 | Confident | 77 Ų | 77 | 91.3 Ų | 91.3 | 41% | 0.412 | 47% | 0.466 | S | S | . | . | trans | -88.4 | 119.7 | 164.7 | 176 | 16.6 | 0 | 0 | 0 | 109.5 | G14 N18 T19 F20 | G14-D16 PolarHBondContact O-N 2.98Å; D16-N18 PolarHBondContact O-N 2.89Å; D16-N18 VanDerWaalsContact O-N 3.1Å; D16-N18 PolarHBondContact OD1-N 3.3Å; D16-N18 VanDerWaalsContact OD1-N 3.13Å; D16-T19 WeakPolarHBondContact O-CB 3.46Å; D16-T19 PolarHBondContact O-N 3.49Å; D16-T19 PolarHBondContact OD2-OG1 3.01Å; D16-F20 WeakPolarHBondContact O-CD2 3.42Å; D16-F20 WeakPolarHBondContact O-CE2 3.4Å | ||
| 17 | R | 62.2 | Low | 77.2 | Confident | 202 Ų | 202 | 83.5 Ų | 83.5 | 76% | 0.762 | 43% | 0.429 | S | S | * | . | G | 310 helix | trans | -56.3 | -29.4 | -178.2 | -72.8 | -178.1 | 172.2 | -176.3 | -4 | 112.5 | T19 | R17-T19 PolarHBondContact O-N 2.96Š|
| 18 | N | 67.2 | Low | 77.2 | Confident | 149 Ų | 149 | 81 Ų | 81 | 80% | 0.797 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -78 | -12 | -179 | -61.5 | -31.2 | 0 | 0 | 0 | 113 | D16 | D16-N18 PolarHBondContact O-N 2.89Å; D16-N18 VanDerWaalsContact O-N 3.1Å; D16-N18 PolarHBondContact OD1-N 3.3Å; D16-N18 VanDerWaalsContact OD1-N 3.13Å |
| 19 | T | 66.6 | Low | 77.2 | Confident | 31 Ų | 31 | 83 Ų | 83 | 19% | 0.19 | 40% | 0.403 | C | S | . | . | G | 310 helix | trans | -93.6 | -16.5 | -175.2 | -64.4 | 0 | 0 | 0 | 0 | 113 | D16 R17 F72 R75 | D16-T19 WeakPolarHBondContact O-CB 3.46Å; D16-T19 PolarHBondContact O-N 3.49Å; D16-T19 PolarHBondContact OD2-OG1 3.01Å; R17-T19 PolarHBondContact O-N 2.96Å; T19-F72 HydrophobicContact CG2-CE1 4.38Å; T19-F72 HydrophobicContact CG2-CZ 4.18Å; T19-R75 PolarHBondContact OG1-NH1 3.32Å |
| 20 | F | 72.1 | Confident | 77.2 | Confident | 21 Ų | 21 | 83.3 Ų | 83.3 | 9% | 0.092 | 40% | 0.404 | C | S | . | . | trans | -105.4 | 130.3 | -171 | -52.6 | -54.8 | 0 | 0 | 0 | 114.7 | S15 D16 L25 F64 F68 L71 F72 | S15-F20 VanDerWaalsContact CA-CE2 3.44Å; D16-F20 WeakPolarHBondContact O-CD2 3.42Å; D16-F20 WeakPolarHBondContact O-CE2 3.4Å; F20-L25 HydrophobicContact CB-CD1 4.37Å; F20-L25 HydrophobicContact CB-CD2 4.04Å; F20-L25 HydrophobicContact CB-CG 4.03Å; F20-L25 HydrophobicContact CD2-CD2 4.23Å; F20-L25 HydrophobicContact CG-CD2 4.4Å; F20-F64 HydrophobicContact CE1-CE2 4.48Å; F20-F64 AromaticContact CZ-CE2 3.89Å; F20-F64 HydrophobicContact CZ-CE2 3.89Å; F20-F64 HydrophobicContact CZ-CZ 4.44Å; F20-F68 HydrophobicContact CB-CE1 4.18Å; F20-F68 AromaticContact CD1-CD1 3.12Å; F20-F68 HydrophobicContact CD1-CD1 3.12Å; F20-F68 AromaticContact CD1-CE1 3.37Å; F20-F68 HydrophobicContact CD1-CE1 3.37Å; F20-F68 HydrophobicContact CD1-CG 4.04Å; F20-F68 HydrophobicContact CD1-CZ 4.48Å; F20-F68 HydrophobicContact CD2-CE1 4.08Å; F20-F68 HydrophobicContact CE1-CB 3.94Å; F20-F68 AromaticContact CE1-CD1 3.17Å; F20-F68 HydrophobicContact CE1-CD1 3.17Å; F20-F68 HydrophobicContact CE1-CD2 4.46Å; F20-F68 AromaticContact CE1-CE1 3.7Å; F20-F68 HydrophobicContact CE1-CE1 3.7Å; F20-F68 AromaticContact CE1-CG 3.62Å; F20-F68 HydrophobicContact CE1-CG 3.62Å; F20-F68 HydrophobicContact CE2-CE1 4.35Å; F20-F68 AromaticContact CG-CD1 3.86Å; F20-F68 HydrophobicContact CG-CD1 3.86Å; F20-F68 AromaticContact CG-CE1 3.58Å; F20-F68 HydrophobicContact CG-CE1 3.58Å; F20-F68 AromaticContact CZ-CD1 3.95Å; F20-F68 HydrophobicContact CZ-CD1 3.95Å; F20-F68 HydrophobicContact CZ-CE1 4.18Å; F20-F68 HydrophobicContact CZ-CG 4.19Å; F20-L71 HydrophobicContact CD1-CD1 4.1Å; F20-F72 AromaticContact CE1-CE2 3.97Å; F20-F72 HydrophobicContact CE1-CE2 3.97Å; F20-F72 HydrophobicContact CE1-CZ 4.25Å; F20-F72 HydrophobicContact CZ-CE2 4.42Å; F20-F72 HydrophobicContact CZ-CZ 4.47Å | ||
| 21 | Y | 73.4 | Confident | 77 | Confident | 168 Ų | 168 | 82.1 Ų | 82.1 | 66% | 0.659 | 39% | 0.394 | S | S | * | . | trans | -66.8 | 140.2 | 167.2 | -56.7 | -74.4 | 0 | 0 | 0 | 110.8 | A23 I24 L25 L71 | Y21-A23 PolarHBondContact O-N 3.45Å; Y21-A23 VanDerWaalsContact O-N 3.13Å; Y21-I24 HydrophobicContact CD2-CD1 4.34Å; Y21-I24 PolarHBondContact O-N 3.48Å; Y21-L25 PolarHBondContact O-N 2.92Å; Y21-L71 HydrophobicContact CD2-CD1 4.44Å; Y21-L71 HydrophobicContact CD2-CD2 3.89Å; Y21-L71 HydrophobicContact CE2-CD2 3.86Å | ||
| 22 | R | 78.9 | Confident | 76.8 | Confident | 209 Ų | 209 | 81.4 Ų | 81.4 | 79% | 0.789 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -48.6 | -42.4 | 178.7 | -71.4 | -175.5 | 174.6 | -174.8 | -1.8 | 113 | I24 L25 D26 | R22-I24 PolarHBondContact O-N 3.28Å; R22-L25 WeakPolarHBondContact O-CB 3.45Å; R22-L25 PolarHBondContact O-N 3.17Å; R22-L25 VanDerWaalsContact O-N 3.12Å; R22-D26 PolarHBondContact O-N 2.66Å |
| 23 | A | 78.3 | Confident | 76.6 | Confident | 69 Ų | 69 | 86.4 Ų | 86.4 | 57% | 0.57 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -57.1 | -34.6 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114 | Y21 A27 | Y21-A23 PolarHBondContact O-N 3.45Å; Y21-A23 VanDerWaalsContact O-N 3.13Å; A23-A27 PolarHBondContact O-N 3.32Å |
| 24 | I | 78.2 | Confident | 76 | Confident | 36 Ų | 36 | 90.4 Ų | 90.4 | 19% | 0.185 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -81.1 | -35.3 | -178.6 | -66.2 | 171.3 | 0 | 0 | 0 | 110.2 | Y21 R22 D26 A27 F28 H67 F68 L71 | Y21-I24 HydrophobicContact CD2-CD1 4.34Å; Y21-I24 PolarHBondContact O-N 3.48Å; R22-I24 PolarHBondContact O-N 3.28Å; I24-D26 VanDerWaalsContact C-N 3.29Å; I24-D26 PolarHBondContact O-N 2.9Å; I24-A27 PolarHBondContact O-N 3.32Å; I24-F28 WeakPolarHBondContact O-CB 3.37Å; I24-F28 PolarHBondContact O-N 2.58Å; I24-H67 HydrophobicContact CG2-CB 4.37Å; I24-H67 WeakPolarHBondContact CG2-O 3.45Å; I24-F68 HydrophobicContact CB-CE1 4.48Å; I24-F68 HydrophobicContact CG2-CD1 3.52Å; I24-F68 HydrophobicContact CG2-CE1 3.4Å; I24-F68 VanDerWaalsContact CG2-CE1 3.4Å; I24-F68 HydrophobicContact CG2-CZ 4.28Å; I24-L71 HydrophobicContact CD1-CD1 3.34Å; I24-L71 HydrophobicContact CD1-CD2 3.54Å; I24-L71 HydrophobicContact CD1-CG 3.49Å; I24-L71 VanDerWaalsContact CD1-CG 3.49Å; I24-L71 HydrophobicContact CG2-CD1 4.44Å |
| 25 | L | 81.3 | Confident | 76.1 | Confident | 60 Ų | 60 | 92.2 Ų | 92.2 | 31% | 0.314 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.4 | -39.6 | 168.9 | -64.5 | 175.5 | 0 | 0 | 0 | 111.3 | F20 Y21 R22 F28 R29 F68 | F20-L25 HydrophobicContact CB-CD1 4.37Å; F20-L25 HydrophobicContact CB-CD2 4.04Å; F20-L25 HydrophobicContact CB-CG 4.03Å; F20-L25 HydrophobicContact CD2-CD2 4.23Å; F20-L25 HydrophobicContact CG-CD2 4.4Å; Y21-L25 PolarHBondContact O-N 2.92Å; R22-L25 WeakPolarHBondContact O-CB 3.45Å; R22-L25 PolarHBondContact O-N 3.17Å; R22-L25 VanDerWaalsContact O-N 3.12Å; L25-F28 PolarHBondContact O-N 2.96Å; L25-R29 WeakPolarHBondContact O-CB 3.33Å; L25-R29 VanDerWaalsContact O-CG 3.25Å; L25-R29 WeakPolarHBondContact O-CG 3.48Å; L25-R29 PolarHBondContact O-N 3.26Å; L25-F68 HydrophobicContact CD2-CE1 4.38Å; L25-F68 HydrophobicContact CD2-CZ 4.33Å |
| 26 | D | 82.2 | Confident | 76.4 | Confident | 71 Ų | 71 | 96 Ų | 96 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.6 | -34.6 | 177.1 | -67.2 | -29.2 | 0 | 0 | 0 | 112.5 | R22 I24 R29 R30 | R22-D26 PolarHBondContact O-N 2.66Å; I24-D26 VanDerWaalsContact C-N 3.29Å; I24-D26 PolarHBondContact O-N 2.9Å; D26-R29 IonicContact OD1-NH1 3.63Å; D26-R30 WeakPolarHBondContact O-CB 3.5Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 3.4Å; D26-R30 PolarHBondContact O-N 2.88Å; D26-R30 PolarHBondContact O-NE 2.86Å |
| 27 | A | 82.3 | Confident | 77.1 | Confident | 28 Ų | 28 | 96.4 Ų | 96.4 | 23% | 0.231 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -64.7 | -45.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A23 I24 R29 R30 D31 | A23-A27 PolarHBondContact O-N 3.32Å; I24-A27 PolarHBondContact O-N 3.32Å; A27-R29 PolarHBondContact O-N 2.86Å; A27-R30 PolarHBondContact O-N 3.12Å; A27-D31 PolarHBondContact O-N 3.19Å |
| 28 | F | 83.1 | Confident | 78.2 | Confident | 32 Ų | 32 | 89.5 Ų | 89.5 | 14% | 0.14 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 176 | -177.9 | -93.3 | 0 | 0 | 0 | 111.8 | I12 I24 L25 R30 D31 C32 L55 L63 H67 F68 | I12-F28 HydrophobicContact CD1-CE1 4.02Å; I12-F28 HydrophobicContact CD1-CE2 4.04Å; I12-F28 HydrophobicContact CD1-CZ 3.34Å; I24-F28 WeakPolarHBondContact O-CB 3.37Å; I24-F28 PolarHBondContact O-N 2.58Å; L25-F28 PolarHBondContact O-N 2.96Å; F28-R30 PolarHBondContact O-N 3.25Å; F28-D31 PolarHBondContact O-N 3.37Å; F28-C32 VanDerWaalsContact CZ-SG 3.55Å; F28-C32 WeakPolarHBondContact O-CB 3.47Å; F28-C32 PolarHBondContact O-N 3.16Å; F28-C32 PolarHBondContact O-SG 2.92Å; F28-C32 VanDerWaalsContact O-SG 3.33Å; F28-L55 HydrophobicContact CE2-CD2 4.37Å; F28-L55 HydrophobicContact CZ-CD2 3.77Å; F28-L63 HydrophobicContact CE2-CB 4.04Å; F28-H67 HydrophobicContact CD2-CB 4.38Å; F28-H67 AromaticContact CD2-CD2 3.68Å; F28-F68 HydrophobicContact CB-CZ 4.34Å; F28-F68 AromaticContact CD2-CE2 3.94Å; F28-F68 HydrophobicContact CD2-CE2 3.94Å; F28-F68 HydrophobicContact CD2-CZ 4.28Å; F28-F68 HydrophobicContact CE2-CE2 4.36Å; F28-F68 HydrophobicContact CG-CE2 4.43Å; F28-F68 HydrophobicContact CG-CZ 4.32Å |
| 29 | R | 82.5 | Confident | 79.1 | Confident | 152 Ų | 152 | 86.3 Ų | 86.3 | 57% | 0.574 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -60 | -41.4 | 174.8 | -77.2 | 171.3 | 173.5 | 179.1 | -6.1 | 112.5 | L25 D26 A27 D31 C32 | L25-R29 WeakPolarHBondContact O-CB 3.33Å; L25-R29 VanDerWaalsContact O-CG 3.25Å; L25-R29 WeakPolarHBondContact O-CG 3.48Å; L25-R29 PolarHBondContact O-N 3.26Å; D26-R29 IonicContact OD1-NH1 3.63Å; A27-R29 PolarHBondContact O-N 2.86Å; R29-D31 VanDerWaalsContact C-N 3.32Å; R29-D31 PolarHBondContact O-N 3.46Å; R29-C32 CarbonylContact O-C 3.46Å; R29-C32 PolarHBondContact O-N 3.49Å |
| 30 | R | 83.8 | Confident | 80.1 | Confident | 165 Ų | 165 | 88 Ų | 88 | 62% | 0.623 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.8 | -32.5 | 176.5 | -78 | -176.6 | -70.9 | 159.7 | -4.9 | 112.7 | D26 A27 F28 K33 | D26-R30 WeakPolarHBondContact O-CB 3.5Å; D26-R30 VanDerWaalsContact O-CG 3.31Å; D26-R30 WeakPolarHBondContact O-CG 3.4Å; D26-R30 PolarHBondContact O-N 2.88Å; D26-R30 PolarHBondContact O-NE 2.86Å; A27-R30 PolarHBondContact O-N 3.12Å; F28-R30 PolarHBondContact O-N 3.25Å; R30-K33 WeakPolarHBondContact O-CG 3.43Å |
| 31 | D | 80.7 | Confident | 80.9 | Confident | 26 Ų | 26 | 91.1 Ų | 91.1 | 14% | 0.139 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -74.7 | -38.8 | 175 | -156.1 | 4.9 | 0 | 0 | 0 | 111 | A27 F28 R29 K33 K36 R38 K66 H67 | A27-D31 PolarHBondContact O-N 3.19Å; F28-D31 PolarHBondContact O-N 3.37Å; R29-D31 VanDerWaalsContact C-N 3.32Å; R29-D31 PolarHBondContact O-N 3.46Å; D31-K33 VanDerWaalsContact C-N 3.27Å; D31-K33 PolarHBondContact O-N 2.98Å; D31-K36 IonicContact OD1-NZ 3.95Å; D31-R38 PolarHBondContact O-NH2 3.36Å; D31-R38 IonicContact OD1-NH2 3.74Å; D31-K66 IonicContact OD2-NZ 3.59Å; D31-K66 PolarHBondContact OD2-NZ 3.2Å; D31-H67 IonicContact OD2-CE1 3.05Å; D31-H67 IonicContact OD2-NE2 2.81Å; D31-H67 PolarHBondContact OD2-NE2 2.93Å |
| 32 | C | 79.5 | Confident | 81.5 | Confident | 42 Ų | 42 | 88.4 Ų | 88.4 | 28% | 0.284 | 46% | 0.46 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 36.9 | 179.6 | -59.4 | 0 | 0 | 0 | 0 | 114.2 | F28 R29 | F28-C32 VanDerWaalsContact CZ-SG 3.55Å; F28-C32 WeakPolarHBondContact O-CB 3.47Å; F28-C32 PolarHBondContact O-N 3.16Å; F28-C32 PolarHBondContact O-SG 2.92Å; F28-C32 VanDerWaalsContact O-SG 3.33Å; R29-C32 CarbonylContact O-C 3.46Å; R29-C32 PolarHBondContact O-N 3.49Å |
| 33 | K | 78.6 | Confident | 81.7 | Confident | 134 Ų | 134 | 79.9 Ų | 79.9 | 58% | 0.583 | 43% | 0.432 | S | S | * | . | trans | -56.4 | 144.6 | 176.4 | -81.4 | 178.4 | -176.7 | -170.4 | 0 | 111.9 | R30 D31 G35 K36 | R30-K33 WeakPolarHBondContact O-CG 3.43Å; D31-K33 VanDerWaalsContact C-N 3.27Å; D31-K33 PolarHBondContact O-N 2.98Å; K33-G35 PolarHBondContact O-N 3.39Å; K33-K36 PolarHBondContact O-N 3.22Å | ||
| 34 | V | 69.6 | Low | 81.3 | Confident | 157 Ų | 157 | 85.3 Ų | 85.3 | 95% | 0.952 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.4 | 134.4 | 169.9 | -177.4 | 0 | 0 | 0 | 0 | 109.5 | ||
| 35 | G | 74.5 | Confident | 80.8 | Confident | 81 Ų | 81 | 85.4 Ų | 85.4 | 84% | 0.835 | 46% | 0.461 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.3 | -5.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | K33 | K33-G35 PolarHBondContact O-N 3.39Š|
| 36 | K | 79.7 | Confident | 80.1 | Confident | 105 Ų | 105 | 88.1 Ų | 88.1 | 46% | 0.457 | 48% | 0.475 | S | S | . | . | trans | -95.4 | 127.2 | 170.7 | -66.5 | -170.9 | -179.3 | 178.6 | 0 | 111.3 | D31 K33 R38 | D31-K36 IonicContact OD1-NZ 3.95Å; K33-K36 PolarHBondContact O-N 3.22Å; K36-R38 VanDerWaalsContact CD-NH2 3.34Å | ||
| 37 | S | 83.7 | Confident | 79.2 | Confident | 86 Ų | 86 | 87.8 Ų | 87.8 | 60% | 0.601 | 48% | 0.476 | S | S | * | . | trans | -72.3 | 147 | 171.6 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 38 | R | 85.1 | Confident | 78.5 | Confident | 57 Ų | 57 | 93.7 Ų | 93.7 | 22% | 0.215 | 50% | 0.504 | C | S | . | . | trans | -138.1 | 151.7 | 179 | -61.8 | -65.5 | 176.6 | -120.7 | 17.3 | 108.9 | D31 K36 L55 N57 | D31-R38 PolarHBondContact O-NH2 3.36Å; D31-R38 IonicContact OD1-NH2 3.74Å; K36-R38 VanDerWaalsContact CD-NH2 3.34Å; R38-L55 HydrophobicContact CB-CD1 3.78Å; R38-L55 HydrophobicContact CB-CG 4.46Å; R38-L55 HydrophobicContact CG-CD1 4.31Å; R38-N57 WeakPolarHBondContact CD-OD1 3.39Å; R38-N57 PolarHBondContact NE-OD1 3.33Å; R38-N57 PolarHBondContact NH1-OD1 3.44Å; R38-N57 PolarHBondContact NH2-OD1 2.85Å | ||
| 39 | L | 87.1 | Confident | 78.1 | Confident | 82 Ų | 82 | 95.3 Ų | 95.3 | 43% | 0.429 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 131.5 | 170.1 | -59 | 170.9 | 0 | 0 | 0 | 107.7 | Y56 M58 | L39-Y56 PolarHBondContact N-O 3.45Å; L39-Y56 PolarHBondContact O-N 3.16Å; L39-M58 HydrophobicContact CD2-SD 4.3Å; L39-M58 HydrophobicContact CG-SD 4.23Å |
| 40 | V | 87.9 | Confident | 77.9 | Confident | 68 Ų | 68 | 89.4 Ų | 89.4 | 41% | 0.412 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.4 | 179.2 | -176.9 | 0 | 0 | 0 | 0 | 107.1 | F42 V53 N54 L55 | V40-F42 HydrophobicContact CG1-CE1 4.33Å; V40-F42 HydrophobicContact CG1-CE2 4.18Å; V40-F42 HydrophobicContact CG1-CZ 4.08Å; V40-V53 HydrophobicContact CG1-CB 3.75Å; V40-V53 HydrophobicContact CG1-CG1 3.73Å; V40-V53 HydrophobicContact CG1-CG2 4.29Å; V40-N54 WeakPolarHBondContact CA-O 3.27Å; V40-L55 HydrophobicContact CG2-CD1 3.76Å |
| 41 | N | 88.8 | Confident | 77.8 | Confident | 86 Ų | 86 | 84.3 Ų | 84.3 | 46% | 0.46 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 122 | 167.6 | -171 | 25.8 | 0 | 0 | 0 | 108.3 | V53 N54 Y56 | N41-V53 CarbonylContact O-C 3.52Å; N41-V53 VanDerWaalsContact O-CA 3.28Å; N41-V53 WeakPolarHBondContact O-CA 3.38Å; N41-N54 HydrophobicContact CB-CB 4.31Å; N41-N54 PolarHBondContact N-O 2.94Å; N41-N54 PolarHBondContact O-N 2.89Å; N41-Y56 HydrophobicContact CB-CE2 3.93Å |
| 42 | F | 86.5 | Confident | 78 | Confident | 110 Ų | 110 | 83.5 Ų | 83.5 | 48% | 0.482 | 49% | 0.49 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 131.8 | 175.2 | -64.8 | -86.3 | 0 | 0 | 0 | 108.6 | V40 L51 V53 | V40-F42 HydrophobicContact CG1-CE1 4.33Å; V40-F42 HydrophobicContact CG1-CE2 4.18Å; V40-F42 HydrophobicContact CG1-CZ 4.08Å; F42-L51 HydrophobicContact CE1-CD1 4.43Å; F42-V53 HydrophobicContact CD1-CG1 3.59Å; F42-V53 HydrophobicContact CE1-CG1 3.86Å; F42-V53 HydrophobicContact CG-CG1 4.35Å |
| 43 | C | 82.5 | Confident | 78.4 | Confident | 31 Ų | 31 | 81.9 Ų | 81.9 | 21% | 0.209 | 48% | 0.479 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.8 | 141 | 175.6 | -62.5 | 0 | 0 | 0 | 0 | 109.3 | I13 G45 S52 | I13-C43 HydrophobicContact CD1-CB 3.55Å; I13-C43 WeakPolarHBondContact CD1-SG 3.5Å; C43-G45 PolarHBondContact O-N 3.05Å; C43-S52 PolarHBondContact N-O 2.9Å |
| 44 | D | 69.7 | Low | 78.8 | Confident | 182 Ų | 182 | 77.2 Ų | 77.2 | 97% | 0.973 | 46% | 0.46 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 83.8 | 176.9 | -66.8 | -30.2 | 0 | 0 | 0 | 108.8 | ||
| 45 | G | 66.6 | Low | 79.7 | Confident | 38 Ų | 38 | 71 Ų | 71 | 39% | 0.392 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.5 | 112.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | C43 S52 | C43-G45 PolarHBondContact O-N 3.05Å; G45-S52 VanDerWaalsContact O-CB 3.27Å; G45-S52 WeakPolarHBondContact O-CB 3.5Å; G45-S52 PolarHBondContact O-N 2.79Å; G45-S52 PolarHBondContact O-OG 3.3Å |
| 46 | L | 66.6 | Low | 80.3 | Confident | 117 Ų | 117 | 69.8 Ų | 69.8 | 61% | 0.613 | 39% | 0.392 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 120.6 | 166.3 | -73.6 | 130.5 | 0 | 0 | 0 | 108 | G49 I50 L51 | L46-G49 WeakPolarHBondContact CD2-O 3.4Å; L46-I50 WeakPolarHBondContact CA-O 3.23Å; L46-L51 HydrophobicContact CD2-CD2 4.25Å; L46-L51 HydrophobicContact CD2-CG 4.38Å; L46-L51 HydrophobicContact CG-CD2 4.47Å |
| 47 | T | 63.6 | Low | 80.6 | Confident | 65 Ų | 65 | 65.4 Ų | 65.4 | 40% | 0.399 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 118.1 | 167.6 | -51.4 | 0 | 0 | 0 | 0 | 106.3 | G49 I50 S52 | T47-G49 PolarHBondContact O-N 3.46Å; T47-G49 VanDerWaalsContact O-N 3.15Å; T47-I50 PolarHBondContact N-O 2.84Å; T47-I50 WeakPolarHBondContact O-CB 3.33Å; T47-I50 PolarHBondContact O-N 2.87Å; T47-S52 PolarHBondContact OG1-OG 2.88Å |
| 48 | D | 68.8 | Low | 80.6 | Confident | 152 Ų | 152 | 66.7 Ų | 66.7 | 81% | 0.813 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.7 | 33.9 | -178.3 | -57.5 | -29.9 | 0 | 0 | 0 | 115.1 | I50 | D48-I50 PolarHBondContact O-N 3.28Š|
| 49 | G | 73.9 | Confident | 80.6 | Confident | 65 Ų | 65 | 70.8 Ų | 70.8 | 67% | 0.67 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74 | 9.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L46 T47 | L46-G49 WeakPolarHBondContact CD2-O 3.4Å; T47-G49 PolarHBondContact O-N 3.46Å; T47-G49 VanDerWaalsContact O-N 3.15Å |
| 50 | I | 79 | Confident | 80.5 | Confident | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.144 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 136.9 | 175.9 | -56.9 | 171 | 0 | 0 | 0 | 108.9 | R9 Q11 L46 T47 D48 S52 | R9-I50 HydrophobicContact CG-CG2 4.26Å; Q11-I50 HydrophobicContact CB-CG2 3.88Å; L46-I50 WeakPolarHBondContact CA-O 3.23Å; T47-I50 PolarHBondContact N-O 2.84Å; T47-I50 WeakPolarHBondContact O-CB 3.33Å; T47-I50 PolarHBondContact O-N 2.87Å; D48-I50 PolarHBondContact O-N 3.28Å; I50-S52 PolarHBondContact O-N 3.43Å |
| 51 | L | 82.1 | Confident | 80.4 | Confident | 58 Ų | 58 | 69.1 Ų | 69.1 | 30% | 0.304 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 123 | 177.7 | -74.3 | 165.2 | 0 | 0 | 0 | 110.5 | I8 C10 Q11 F42 L46 | I8-L51 HydrophobicContact CG2-CD1 3.82Å; C10-L51 CarbonylContact C-O 3.56Å; C10-L51 VanDerWaalsContact CA-O 3.26Å; C10-L51 WeakPolarHBondContact CA-O 3.27Å; C10-L51 WeakPolarHBondContact CB-O 3.32Å; Q11-L51 PolarHBondContact N-O 2.86Å; F42-L51 HydrophobicContact CE1-CD1 4.43Å; L46-L51 HydrophobicContact CD2-CD2 4.25Å; L46-L51 HydrophobicContact CD2-CG 4.38Å; L46-L51 HydrophobicContact CG-CD2 4.47Å |
| 52 | S | 84.8 | Confident | 80.2 | Confident | 10 Ų | 10 | 66.6 Ų | 66.6 | 7% | 0.07 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.6 | 131.7 | 174.9 | -48.1 | 0 | 0 | 0 | 0 | 109.6 | Q11 C43 G45 T47 I50 | Q11-S52 CarbonylContact O-C 3.53Å; Q11-S52 WeakPolarHBondContact O-CA 3.44Å; C43-S52 PolarHBondContact N-O 2.9Å; G45-S52 VanDerWaalsContact O-CB 3.27Å; G45-S52 WeakPolarHBondContact O-CB 3.5Å; G45-S52 PolarHBondContact O-N 2.79Å; G45-S52 PolarHBondContact O-OG 3.3Å; T47-S52 PolarHBondContact OG1-OG 2.88Å; I50-S52 PolarHBondContact O-N 3.43Å |
| 53 | V | 88.2 | Confident | 80.1 | Confident | 7 Ų | 7 | 61.4 Ų | 61.4 | 4% | 0.042 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 149.7 | -176.9 | -59.7 | 0 | 0 | 0 | 0 | 112.3 | C10 Q11 I12 I13 V40 N41 F42 | C10-V53 HydrophobicContact CB-CB 4.43Å; C10-V53 HydrophobicContact CB-CG1 3.8Å; C10-V53 HydrophobicContact CB-CG2 3.71Å; Q11-V53 PolarHBondContact O-N 3.18Å; I12-V53 VanDerWaalsContact CA-O 3.32Å; I12-V53 WeakPolarHBondContact CA-O 3.4Å; I12-V53 HydrophobicContact CG1-CG2 4.44Å; I13-V53 PolarHBondContact N-O 3.36Å; V40-V53 HydrophobicContact CG1-CB 3.75Å; V40-V53 HydrophobicContact CG1-CG1 3.73Å; V40-V53 HydrophobicContact CG1-CG2 4.29Å; N41-V53 CarbonylContact O-C 3.52Å; N41-V53 VanDerWaalsContact O-CA 3.28Å; N41-V53 WeakPolarHBondContact O-CA 3.38Å; F42-V53 HydrophobicContact CD1-CG1 3.59Å; F42-V53 HydrophobicContact CE1-CG1 3.86Å; F42-V53 HydrophobicContact CG-CG1 4.35Å |
| 54 | N | 86.8 | Confident | 80.2 | Confident | 36 Ų | 36 | 61 Ų | 61 | 19% | 0.193 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 132.7 | 161.1 | -65.8 | -26 | 0 | 0 | 0 | 109.1 | V40 N41 Y56 | V40-N54 WeakPolarHBondContact CA-O 3.27Å; N41-N54 HydrophobicContact CB-CB 4.31Å; N41-N54 PolarHBondContact N-O 2.94Å; N41-N54 PolarHBondContact O-N 2.89Å; N54-Y56 HydrophobicContact CB-CD2 4.48Å; N54-Y56 HydrophobicContact CB-CE2 3.5Å; N54-Y56 VanDerWaalsContact CB-CE2 3.5Å; N54-Y56 WeakPolarHBondContact CB-OH 3.29Å; N54-Y56 PolarHBondContact ND2-OH 3.11Å |
| 55 | L | 88.2 | Confident | 80.9 | Confident | 26 Ų | 26 | 57.5 Ų | 57.5 | 14% | 0.136 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 125.1 | -176.4 | -169.6 | 72.7 | 0 | 0 | 0 | 109.8 | I12 F28 R38 V40 L63 | I12-L55 HydrophobicContact CD1-CB 4.41Å; I12-L55 HydrophobicContact CD1-CD2 4.24Å; F28-L55 HydrophobicContact CE2-CD2 4.37Å; F28-L55 HydrophobicContact CZ-CD2 3.77Å; R38-L55 HydrophobicContact CB-CD1 3.78Å; R38-L55 HydrophobicContact CB-CG 4.46Å; R38-L55 HydrophobicContact CG-CD1 4.31Å; V40-L55 HydrophobicContact CG2-CD1 3.76Å; L55-L63 HydrophobicContact CD2-CB 4.45Å; L55-L63 HydrophobicContact CD2-CD1 3.6Å; L55-L63 HydrophobicContact CG-CD1 3.85Å; L55-L63 WeakPolarHBondContact O-CB 3.24Å; L55-L63 PolarHBondContact O-N 2.79Å |
| 56 | Y | 87.2 | Confident | 81.7 | Confident | 56 Ų | 56 | 61 Ų | 61 | 22% | 0.22 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 152 | 179.7 | -48.1 | -98.6 | 0 | 0 | 0 | 111.3 | L39 N41 N54 C61 D62 | L39-Y56 PolarHBondContact N-O 3.45Å; L39-Y56 PolarHBondContact O-N 3.16Å; N41-Y56 HydrophobicContact CB-CE2 3.93Å; N54-Y56 HydrophobicContact CB-CD2 4.48Å; N54-Y56 HydrophobicContact CB-CE2 3.5Å; N54-Y56 VanDerWaalsContact CB-CE2 3.5Å; N54-Y56 WeakPolarHBondContact CB-OH 3.29Å; N54-Y56 PolarHBondContact ND2-OH 3.11Å; Y56-C61 CarbonylContact C-O 3.56Å; Y56-C61 VanDerWaalsContact CA-O 3.27Å; Y56-C61 WeakPolarHBondContact CA-O 3.3Å; Y56-D62 HydrophobicContact CD1-CB 3.81Å; Y56-D62 HydrophobicContact CE1-CB 3.77Å |
| 57 | N | 85.3 | Confident | 82.4 | Confident | 13 Ų | 13 | 57.1 Ų | 57.1 | 7% | 0.07 | 33% | 0.325 | C | S | . | . | trans | -71 | 166.8 | 163.4 | -79 | -22.8 | 0 | 0 | 0 | 110.8 | R38 D59 G60 C61 L63 | R38-N57 WeakPolarHBondContact CD-OD1 3.39Å; R38-N57 PolarHBondContact NE-OD1 3.33Å; R38-N57 PolarHBondContact NH1-OD1 3.44Å; R38-N57 PolarHBondContact NH2-OD1 2.85Å; N57-D59 PolarHBondContact O-N 3.01Å; N57-D59 VanDerWaalsContact O-N 3.16Å; N57-G60 PolarHBondContact O-N 3.35Å; N57-C61 HydrophobicContact CB-CB 4.46Å; N57-C61 PolarHBondContact N-O 2.8Å; N57-L63 WeakPolarHBondContact ND2-CD2 3.42Å; N57-L63 WeakPolarHBondContact OD1-CD1 3.48Å; N57-L63 WeakPolarHBondContact OD1-CD2 3.33Å | ||
| 58 | M | 84.1 | Confident | 83.2 | Confident | 114 Ų | 114 | 54.3 Ų | 54.3 | 56% | 0.562 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.1 | 176.7 | -65.2 | -57.8 | -62.4 | 0 | 0 | 113.1 | L39 G60 | L39-M58 HydrophobicContact CD2-SD 4.3Å; L39-M58 HydrophobicContact CG-SD 4.23Å; M58-G60 PolarHBondContact O-N 3.21Å |
| 59 | D | 85.9 | Confident | 83.7 | Confident | 142 Ų | 142 | 47.5 Ų | 47.5 | 76% | 0.759 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.7 | 1.8 | 174.2 | -47.5 | -54.1 | 0 | 0 | 0 | 113.1 | N57 C61 | N57-D59 PolarHBondContact O-N 3.01Å; N57-D59 VanDerWaalsContact O-N 3.16Å; D59-C61 VanDerWaalsContact C-N 3.27Å; D59-C61 PolarHBondContact O-N 3.49Å |
| 60 | G | 84.2 | Confident | 83.9 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 49% | 0.485 | 27% | 0.269 | S | S | . | . | S | Bend | trans | 79.7 | 2.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | N57 M58 D62 | N57-G60 PolarHBondContact O-N 3.35Å; M58-G60 PolarHBondContact O-N 3.21Å; G60-D62 PolarHBondContact O-N 2.85Å |
| 61 | C | 84.9 | Confident | 83.7 | Confident | 69 Ų | 69 | 50.8 Ų | 50.8 | 47% | 0.466 | 27% | 0.271 | S | S | . | . | trans | -72.1 | 123.8 | 176.7 | -65.2 | 0 | 0 | 0 | 0 | 111.4 | Y56 N57 D59 L63 | Y56-C61 CarbonylContact C-O 3.56Å; Y56-C61 VanDerWaalsContact CA-O 3.27Å; Y56-C61 WeakPolarHBondContact CA-O 3.3Å; N57-C61 HydrophobicContact CB-CB 4.46Å; N57-C61 PolarHBondContact N-O 2.8Å; D59-C61 VanDerWaalsContact C-N 3.27Å; D59-C61 PolarHBondContact O-N 3.49Å; C61-L63 PolarHBondContact O-N 3.44Å | ||
| 62 | D | 86.3 | Confident | 83.4 | Confident | 33 Ų | 33 | 51.4 Ų | 51.4 | 18% | 0.176 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -65.1 | 117.8 | 174.6 | -173.1 | -33.2 | 0 | 0 | 0 | 110.7 | Y56 G60 F64 L65 K66 | Y56-D62 HydrophobicContact CD1-CB 3.81Å; Y56-D62 HydrophobicContact CE1-CB 3.77Å; G60-D62 PolarHBondContact O-N 2.85Å; D62-F64 VanDerWaalsContact C-N 3.33Å; D62-F64 WeakPolarHBondContact OD1-CA 3.47Å; D62-F64 VanDerWaalsContact OD1-CB 3.26Å; D62-F64 WeakPolarHBondContact OD1-CB 3.13Å; D62-F64 PolarHBondContact OD1-N 2.9Å; D62-L65 HydrophobicContact CB-CB 4.13Å; D62-L65 HydrophobicContact CB-CD1 4.03Å; D62-L65 HydrophobicContact CB-CG 4.27Å; D62-L65 PolarHBondContact OD1-N 3.15Å; D62-K66 VanDerWaalsContact O-CB 3.29Å; D62-K66 WeakPolarHBondContact O-CB 3.43Å; D62-K66 PolarHBondContact O-N 3.42Å |
| 63 | L | 83.8 | Confident | 83.1 | Confident | 0 Ų | 0 | 59 Ų | 59 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -71.5 | -28.2 | -178.6 | -78.6 | 179 | 0 | 0 | 0 | 112.7 | F28 L55 N57 C61 K66 H67 | F28-L63 HydrophobicContact CE2-CB 4.04Å; L55-L63 HydrophobicContact CD2-CB 4.45Å; L55-L63 HydrophobicContact CD2-CD1 3.6Å; L55-L63 HydrophobicContact CG-CD1 3.85Å; L55-L63 WeakPolarHBondContact O-CB 3.24Å; L55-L63 PolarHBondContact O-N 2.79Å; N57-L63 WeakPolarHBondContact ND2-CD2 3.42Å; N57-L63 WeakPolarHBondContact OD1-CD1 3.48Å; N57-L63 WeakPolarHBondContact OD1-CD2 3.33Å; C61-L63 PolarHBondContact O-N 3.44Å; L63-K66 HydrophobicContact CD2-CD 4.06Å; L63-H67 PolarHBondContact O-CD2 3.24Å; L63-H67 VanDerWaalsContact O-CD2 3.3Å; L63-H67 PolarHBondContact O-N 2.91Å |
| 64 | F | 84.7 | Confident | 82.7 | Confident | 24 Ų | 24 | 64.9 Ų | 64.9 | 11% | 0.105 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -66.4 | -51.9 | 174.7 | -179.3 | -96.1 | 0 | 0 | 0 | 110 | I12 I13 G14 F20 D62 K66 H67 F68 F72 | I12-F64 HydrophobicContact CG2-CB 3.95Å; I12-F64 HydrophobicContact CG2-CD2 3.76Å; I12-F64 HydrophobicContact CG2-CG 4.2Å; I13-F64 WeakPolarHBondContact O-CD2 3.4Å; I13-F64 WeakPolarHBondContact O-CE2 3.44Å; G14-F64 VanDerWaalsContact C-CZ 3.5Å; G14-F64 WeakPolarHBondContact O-CE2 3.41Å; G14-F64 WeakPolarHBondContact O-CZ 3.18Å; F20-F64 HydrophobicContact CE1-CE2 4.48Å; F20-F64 AromaticContact CZ-CE2 3.89Å; F20-F64 HydrophobicContact CZ-CE2 3.89Å; F20-F64 HydrophobicContact CZ-CZ 4.44Å; D62-F64 VanDerWaalsContact C-N 3.33Å; D62-F64 WeakPolarHBondContact OD1-CA 3.47Å; D62-F64 VanDerWaalsContact OD1-CB 3.26Å; D62-F64 WeakPolarHBondContact OD1-CB 3.13Å; D62-F64 PolarHBondContact OD1-N 2.9Å; F64-K66 VanDerWaalsContact C-N 3.31Å; F64-K66 PolarHBondContact O-N 3.03Å; F64-H67 PolarHBondContact O-N 3.43Å; F64-F68 HydrophobicContact CB-CD2 4.45Å; F64-F68 HydrophobicContact CD2-CB 4.36Å; F64-F68 AromaticContact CD2-CD2 3.45Å; F64-F68 HydrophobicContact CD2-CD2 3.45Å; F64-F68 VanDerWaalsContact CD2-CD2 3.45Å; F64-F68 HydrophobicContact CD2-CE2 4.09Å; F64-F68 HydrophobicContact CD2-CG 4.2Å; F64-F68 HydrophobicContact CE2-CB 4.17Å; F64-F68 AromaticContact CE2-CD2 3.84Å; F64-F68 HydrophobicContact CE2-CD2 3.84Å; F64-F68 HydrophobicContact CE2-CG 4.16Å; F64-F68 HydrophobicContact CG-CD2 4.03Å; F64-F68 HydrophobicContact CZ-CB 4.26Å; F64-F68 WeakPolarHBondContact O-CA 3.4Å; F64-F68 VanDerWaalsContact O-CB 3.3Å; F64-F68 WeakPolarHBondContact O-CB 3.31Å; F64-F68 VanDerWaalsContact O-CD2 3.3Å; F64-F68 WeakPolarHBondContact O-CD2 3.28Å; F64-F68 PolarHBondContact O-N 3.13Å; F64-F72 HydrophobicContact CE1-CD2 4.19Å; F64-F72 AromaticContact CE1-CE2 3.8Å; F64-F72 HydrophobicContact CE1-CE2 3.8Å; F64-F72 HydrophobicContact CE2-CE2 4.21Å; F64-F72 HydrophobicContact CZ-CD2 4.14Å; F64-F72 AromaticContact CZ-CE2 3.29Å; F64-F72 HydrophobicContact CZ-CE2 3.29Å; F64-F72 AromaticContact CZ-CZ 3.82Å; F64-F72 HydrophobicContact CZ-CZ 3.82Å |
| 65 | L | 83.5 | Confident | 82.2 | Confident | 107 Ų | 107 | 70 Ų | 70 | 56% | 0.56 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -63.8 | -36.7 | 178.6 | -70.3 | 172.8 | 0 | 0 | 0 | 112.3 | D62 H67 G69 | D62-L65 HydrophobicContact CB-CB 4.13Å; D62-L65 HydrophobicContact CB-CD1 4.03Å; D62-L65 HydrophobicContact CB-CG 4.27Å; D62-L65 PolarHBondContact OD1-N 3.15Å; L65-H67 PolarHBondContact O-N 2.89Å; L65-G69 WeakPolarHBondContact O-CA 3.33Å; L65-G69 PolarHBondContact O-N 3.47Å |
| 66 | K | 84.3 | Confident | 81.9 | Confident | 112 Ų | 112 | 73.5 Ų | 73.5 | 49% | 0.487 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | 178.1 | -176.9 | -175.5 | 176.6 | -169.9 | 0 | 112.7 | D31 D62 L63 F64 | D31-K66 IonicContact OD2-NZ 3.59Å; D31-K66 PolarHBondContact OD2-NZ 3.2Å; D62-K66 VanDerWaalsContact O-CB 3.29Å; D62-K66 WeakPolarHBondContact O-CB 3.43Å; D62-K66 PolarHBondContact O-N 3.42Å; L63-K66 HydrophobicContact CD2-CD 4.06Å; F64-K66 VanDerWaalsContact C-N 3.31Å; F64-K66 PolarHBondContact O-N 3.03Å |
| 67 | H | 80.9 | Confident | 81.7 | Confident | 36 Ų | 36 | 76 Ų | 76 | 17% | 0.167 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -95.1 | -33.7 | -174.1 | -71.4 | -75.3 | 0 | 0 | 0 | 113.1 | I24 F28 D31 L63 F64 L65 | I24-H67 HydrophobicContact CG2-CB 4.37Å; I24-H67 WeakPolarHBondContact CG2-O 3.45Å; F28-H67 HydrophobicContact CD2-CB 4.38Å; F28-H67 AromaticContact CD2-CD2 3.68Å; D31-H67 IonicContact OD2-CE1 3.05Å; D31-H67 IonicContact OD2-NE2 2.81Å; D31-H67 PolarHBondContact OD2-NE2 2.93Å; L63-H67 PolarHBondContact O-CD2 3.24Å; L63-H67 VanDerWaalsContact O-CD2 3.3Å; L63-H67 PolarHBondContact O-N 2.91Å; F64-H67 PolarHBondContact O-N 3.43Å; L65-H67 PolarHBondContact O-N 2.89Å |
| 68 | F | 80.8 | Confident | 81.4 | Confident | 6 Ų | 6 | 77.3 Ų | 77.3 | 3% | 0.026 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -110.7 | -18.7 | -173.1 | -51.2 | -73.9 | 0 | 0 | 0 | 113.2 | F20 I24 L25 F28 F64 E70 L71 F72 | F20-F68 HydrophobicContact CB-CE1 4.18Å; F20-F68 AromaticContact CD1-CD1 3.12Å; F20-F68 HydrophobicContact CD1-CD1 3.12Å; F20-F68 AromaticContact CD1-CE1 3.37Å; F20-F68 HydrophobicContact CD1-CE1 3.37Å; F20-F68 HydrophobicContact CD1-CG 4.04Å; F20-F68 HydrophobicContact CD1-CZ 4.48Å; F20-F68 HydrophobicContact CD2-CE1 4.08Å; F20-F68 HydrophobicContact CE1-CB 3.94Å; F20-F68 AromaticContact CE1-CD1 3.17Å; F20-F68 HydrophobicContact CE1-CD1 3.17Å; F20-F68 HydrophobicContact CE1-CD2 4.46Å; F20-F68 AromaticContact CE1-CE1 3.7Å; F20-F68 HydrophobicContact CE1-CE1 3.7Å; F20-F68 AromaticContact CE1-CG 3.62Å; F20-F68 HydrophobicContact CE1-CG 3.62Å; F20-F68 HydrophobicContact CE2-CE1 4.35Å; F20-F68 AromaticContact CG-CD1 3.86Å; F20-F68 HydrophobicContact CG-CD1 3.86Å; F20-F68 AromaticContact CG-CE1 3.58Å; F20-F68 HydrophobicContact CG-CE1 3.58Å; F20-F68 AromaticContact CZ-CD1 3.95Å; F20-F68 HydrophobicContact CZ-CD1 3.95Å; F20-F68 HydrophobicContact CZ-CE1 4.18Å; F20-F68 HydrophobicContact CZ-CG 4.19Å; I24-F68 HydrophobicContact CB-CE1 4.48Å; I24-F68 HydrophobicContact CG2-CD1 3.52Å; I24-F68 HydrophobicContact CG2-CE1 3.4Å; I24-F68 VanDerWaalsContact CG2-CE1 3.4Å; I24-F68 HydrophobicContact CG2-CZ 4.28Å; L25-F68 HydrophobicContact CD2-CE1 4.38Å; L25-F68 HydrophobicContact CD2-CZ 4.33Å; F28-F68 HydrophobicContact CB-CZ 4.34Å; F28-F68 AromaticContact CD2-CE2 3.94Å; F28-F68 HydrophobicContact CD2-CE2 3.94Å; F28-F68 HydrophobicContact CD2-CZ 4.28Å; F28-F68 HydrophobicContact CE2-CE2 4.36Å; F28-F68 HydrophobicContact CG-CE2 4.43Å; F28-F68 HydrophobicContact CG-CZ 4.32Å; F64-F68 HydrophobicContact CB-CD2 4.45Å; F64-F68 HydrophobicContact CD2-CB 4.36Å; F64-F68 AromaticContact CD2-CD2 3.45Å; F64-F68 HydrophobicContact CD2-CD2 3.45Å; F64-F68 VanDerWaalsContact CD2-CD2 3.45Å; F64-F68 HydrophobicContact CD2-CE2 4.09Å; F64-F68 HydrophobicContact CD2-CG 4.2Å; F64-F68 HydrophobicContact CE2-CB 4.17Å; F64-F68 AromaticContact CE2-CD2 3.84Å; F64-F68 HydrophobicContact CE2-CD2 3.84Å; F64-F68 HydrophobicContact CE2-CG 4.16Å; F64-F68 HydrophobicContact CG-CD2 4.03Å; F64-F68 HydrophobicContact CZ-CB 4.26Å; F64-F68 WeakPolarHBondContact O-CA 3.4Å; F64-F68 VanDerWaalsContact O-CB 3.3Å; F64-F68 WeakPolarHBondContact O-CB 3.31Å; F64-F68 VanDerWaalsContact O-CD2 3.3Å; F64-F68 WeakPolarHBondContact O-CD2 3.28Å; F64-F68 PolarHBondContact O-N 3.13Å; F68-E70 VanDerWaalsContact C-N 3.26Å; F68-E70 PolarHBondContact O-N 2.91Å; F68-L71 HydrophobicContact CD1-CD1 4.3Å; F68-L71 WeakPolarHBondContact O-CB 3.24Å; F68-L71 PolarHBondContact O-N 3.1Å; F68-F72 HydrophobicContact CB-CD2 4.13Å; F68-F72 HydrophobicContact CB-CE2 3.95Å; F68-F72 VanDerWaalsContact O-CD2 3.24Å; F68-F72 WeakPolarHBondContact O-CD2 3.38Å; F68-F72 PolarHBondContact O-N 3.1Å; F68-F72 VanDerWaalsContact O-N 3.11Å |
| 69 | G | 78.7 | Confident | 81.3 | Confident | 8 Ų | 8 | 77.8 Ų | 77.8 | 8% | 0.082 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -57.5 | -36.8 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | L65 F72 R73 | L65-G69 WeakPolarHBondContact O-CA 3.33Å; L65-G69 PolarHBondContact O-N 3.47Å; G69-F72 PolarHBondContact O-N 3.26Å; G69-R73 WeakPolarHBondContact O-CG 3.41Å; G69-R73 PolarHBondContact O-N 2.79Å |
| 70 | E | 78 | Confident | 81.1 | Confident | 129 Ų | 129 | 76.9 Ų | 76.9 | 60% | 0.603 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -67.3 | -36.6 | 174.6 | -68.1 | -161.5 | 162.3 | 0 | 0 | 113.2 | F68 R73 K74 | F68-E70 VanDerWaalsContact C-N 3.26Å; F68-E70 PolarHBondContact O-N 2.91Å; E70-R73 PolarHBondContact O-N 3.4Å; E70-K74 WeakPolarHBondContact O-CB 3.35Å; E70-K74 WeakPolarHBondContact O-CG 3.32Å; E70-K74 PolarHBondContact O-N 3.38Å |
| 71 | L | 75.9 | Confident | 81.1 | Confident | 33 Ų | 33 | 80.8 Ų | 80.8 | 17% | 0.173 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.6 | -73.9 | 178.9 | 0 | 0 | 0 | 110.9 | F20 Y21 I24 F68 R73 K74 R75 | F20-L71 HydrophobicContact CD1-CD1 4.1Å; Y21-L71 HydrophobicContact CD2-CD1 4.44Å; Y21-L71 HydrophobicContact CD2-CD2 3.89Å; Y21-L71 HydrophobicContact CE2-CD2 3.86Å; I24-L71 HydrophobicContact CD1-CD1 3.34Å; I24-L71 HydrophobicContact CD1-CD2 3.54Å; I24-L71 HydrophobicContact CD1-CG 3.49Å; I24-L71 VanDerWaalsContact CD1-CG 3.49Å; I24-L71 HydrophobicContact CG2-CD1 4.44Å; F68-L71 HydrophobicContact CD1-CD1 4.3Å; F68-L71 WeakPolarHBondContact O-CB 3.24Å; F68-L71 PolarHBondContact O-N 3.1Å; L71-R73 VanDerWaalsContact C-N 3.35Å; L71-R73 PolarHBondContact O-N 3.32Å; L71-K74 PolarHBondContact O-N 2.85Å; L71-R75 WeakPolarHBondContact O-CB 3.26Å; L71-R75 PolarHBondContact O-N 3.47Å |
| 72 | F | 75.8 | Confident | 80.8 | Confident | 72 Ų | 72 | 86.8 Ų | 86.8 | 32% | 0.316 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.6 | -43 | 179.1 | -77.6 | -78.2 | 0 | 0 | 0 | 111.2 | T19 F20 F64 F68 G69 K74 R75 E76 | T19-F72 HydrophobicContact CG2-CE1 4.38Å; T19-F72 HydrophobicContact CG2-CZ 4.18Å; F20-F72 AromaticContact CE1-CE2 3.97Å; F20-F72 HydrophobicContact CE1-CE2 3.97Å; F20-F72 HydrophobicContact CE1-CZ 4.25Å; F20-F72 HydrophobicContact CZ-CE2 4.42Å; F20-F72 HydrophobicContact CZ-CZ 4.47Å; F64-F72 HydrophobicContact CE1-CD2 4.19Å; F64-F72 AromaticContact CE1-CE2 3.8Å; F64-F72 HydrophobicContact CE1-CE2 3.8Å; F64-F72 HydrophobicContact CE2-CE2 4.21Å; F64-F72 HydrophobicContact CZ-CD2 4.14Å; F64-F72 AromaticContact CZ-CE2 3.29Å; F64-F72 HydrophobicContact CZ-CE2 3.29Å; F64-F72 AromaticContact CZ-CZ 3.82Å; F64-F72 HydrophobicContact CZ-CZ 3.82Å; F68-F72 HydrophobicContact CB-CD2 4.13Å; F68-F72 HydrophobicContact CB-CE2 3.95Å; F68-F72 VanDerWaalsContact O-CD2 3.24Å; F68-F72 WeakPolarHBondContact O-CD2 3.38Å; F68-F72 PolarHBondContact O-N 3.1Å; F68-F72 VanDerWaalsContact O-N 3.11Å; G69-F72 PolarHBondContact O-N 3.26Å; F72-K74 PolarHBondContact O-N 3.03Å; F72-R75 PolarHBondContact O-N 2.81Å; F72-E76 VanDerWaalsContact O-CB 3.3Å; F72-E76 WeakPolarHBondContact O-CB 3.2Å; F72-E76 PolarHBondContact O-N 3.47Å |
| 73 | R | 77.9 | Confident | 80.6 | Confident | 168 Ų | 168 | 91.8 Ų | 91.8 | 63% | 0.634 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -60.6 | -45.1 | 174.5 | -71.6 | 179.3 | -166.7 | 170.9 | 4.3 | 112.5 | G69 E70 L71 E76 Q77 | G69-R73 WeakPolarHBondContact O-CG 3.41Å; G69-R73 PolarHBondContact O-N 2.79Å; E70-R73 PolarHBondContact O-N 3.4Å; L71-R73 VanDerWaalsContact C-N 3.35Å; L71-R73 PolarHBondContact O-N 3.32Å; R73-E76 PolarHBondContact O-N 2.94Å; R73-Q77 WeakPolarHBondContact O-CB 3.36Å; R73-Q77 VanDerWaalsContact O-CG 3.29Å; R73-Q77 WeakPolarHBondContact O-CG 3.26Å; R73-Q77 PolarHBondContact O-N 3.44Å |
| 74 | K | 79.2 | Confident | 80.5 | Confident | 132 Ų | 132 | 95.5 Ų | 95.5 | 57% | 0.574 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -64.6 | -41.5 | 178.1 | -76.1 | 178.8 | -179.2 | 172.6 | 0 | 111.7 | E70 L71 F72 Q77 A78 | E70-K74 WeakPolarHBondContact O-CB 3.35Å; E70-K74 WeakPolarHBondContact O-CG 3.32Å; E70-K74 PolarHBondContact O-N 3.38Å; L71-K74 PolarHBondContact O-N 2.85Å; F72-K74 PolarHBondContact O-N 3.03Å; K74-Q77 PolarHBondContact O-N 2.95Å; K74-A78 WeakPolarHBondContact O-CB 3.22Å; K74-A78 PolarHBondContact O-N 3.34Å |
| 75 | R | 76.7 | Confident | 80.1 | Confident | 142 Ų | 142 | 96.5 Ų | 96.5 | 54% | 0.536 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -63.5 | -47.1 | 176.6 | -175.5 | 177.9 | -179.3 | 172.3 | 1.5 | 111.3 | T19 L71 F72 Q77 A78 E79 | T19-R75 PolarHBondContact OG1-NH1 3.32Å; L71-R75 WeakPolarHBondContact O-CB 3.26Å; L71-R75 PolarHBondContact O-N 3.47Å; F72-R75 PolarHBondContact O-N 2.81Å; R75-Q77 VanDerWaalsContact C-N 3.33Å; R75-Q77 PolarHBondContact O-N 3.05Å; R75-A78 PolarHBondContact O-N 3.44Å; R75-E79 WeakPolarHBondContact O-CB 3.33Å; R75-E79 PolarHBondContact O-N 3.49Å |
| 76 | E | 81.7 | Confident | 79.7 | Confident | 100 Ų | 100 | 94 Ų | 94 | 47% | 0.467 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 177.4 | -166.7 | -158.5 | 152.3 | 0 | 0 | 111.4 | F72 R73 E79 R80 | F72-E76 VanDerWaalsContact O-CB 3.3Å; F72-E76 WeakPolarHBondContact O-CB 3.2Å; F72-E76 PolarHBondContact O-N 3.47Å; R73-E76 PolarHBondContact O-N 2.94Å; E76-E79 PolarHBondContact O-N 3.31Å; E76-R80 WeakPolarHBondContact O-CB 3.3Å; E76-R80 PolarHBondContact O-N 3.11Å; E76-R80 IonicContact OE1-CZ 3.59Å; E76-R80 IonicContact OE1-NH1 3.52Å; E76-R80 IonicContact OE1-NH2 2.8Å; E76-R80 PolarHBondContact OE1-NH2 2.97Å |
| 77 | Q | 82.7 | Confident | 79.1 | Confident | 110 Ų | 110 | 94.1 Ų | 94.1 | 51% | 0.514 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.3 | -75.5 | 177.5 | -3.2 | 0 | 0 | 112.2 | R73 K74 R75 E79 R80 Q81 | R73-Q77 WeakPolarHBondContact O-CB 3.36Å; R73-Q77 VanDerWaalsContact O-CG 3.29Å; R73-Q77 WeakPolarHBondContact O-CG 3.26Å; R73-Q77 PolarHBondContact O-N 3.44Å; K74-Q77 PolarHBondContact O-N 2.95Å; R75-Q77 VanDerWaalsContact C-N 3.33Å; R75-Q77 PolarHBondContact O-N 3.05Å; Q77-E79 VanDerWaalsContact C-N 3.32Å; Q77-E79 PolarHBondContact O-N 3.06Å; Q77-R80 PolarHBondContact O-N 2.94Å; Q77-Q81 VanDerWaalsContact O-CG 3.32Å; Q77-Q81 WeakPolarHBondContact O-CG 3.47Å; Q77-Q81 PolarHBondContact O-N 3.29Å |
| 78 | A | 80.6 | Confident | 78.4 | Confident | 39 Ų | 39 | 100.8 Ų | 100.8 | 32% | 0.322 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -63.9 | -39 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | K74 R75 Q81 R82 | K74-A78 WeakPolarHBondContact O-CB 3.22Å; K74-A78 PolarHBondContact O-N 3.34Å; R75-A78 PolarHBondContact O-N 3.44Å; A78-Q81 PolarHBondContact O-N 2.85Å; A78-R82 VanDerWaalsContact O-CG 3.27Å; A78-R82 WeakPolarHBondContact O-CG 3.3Å; A78-R82 PolarHBondContact O-N 3.27Å |
| 79 | E | 81.7 | Confident | 77.3 | Confident | 125 Ų | 125 | 110.6 Ų | 110.6 | 58% | 0.584 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.3 | -42.8 | 175.1 | -172.7 | 170.3 | -169.1 | 0 | 0 | 111.8 | R75 E76 Q77 Q81 R82 K83 | R75-E79 WeakPolarHBondContact O-CB 3.33Å; R75-E79 PolarHBondContact O-N 3.49Å; E76-E79 PolarHBondContact O-N 3.31Å; Q77-E79 VanDerWaalsContact C-N 3.32Å; Q77-E79 PolarHBondContact O-N 3.06Å; E79-Q81 VanDerWaalsContact C-N 3.33Å; E79-Q81 PolarHBondContact O-N 2.96Å; E79-R82 WeakPolarHBondContact O-CB 3.42Å; E79-R82 PolarHBondContact O-N 2.85Å; E79-K83 WeakPolarHBondContact O-CB 3.39Å; E79-K83 PolarHBondContact O-N 3.3Å |
| 80 | R | 82 | Confident | 76.2 | Confident | 122 Ų | 122 | 112.7 Ų | 112.7 | 46% | 0.46 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.8 | -46 | 172.7 | -174.9 | 178.1 | -74.5 | 109.5 | 1.9 | 111.2 | E76 Q77 R82 K83 E84 | E76-R80 WeakPolarHBondContact O-CB 3.3Å; E76-R80 PolarHBondContact O-N 3.11Å; E76-R80 IonicContact OE1-CZ 3.59Å; E76-R80 IonicContact OE1-NH1 3.52Å; E76-R80 IonicContact OE1-NH2 2.8Å; E76-R80 PolarHBondContact OE1-NH2 2.97Å; Q77-R80 PolarHBondContact O-N 2.94Å; R80-R82 PolarHBondContact O-N 3.42Å; R80-K83 PolarHBondContact O-N 3.29Å; R80-E84 WeakPolarHBondContact O-CB 3.35Å; R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 2.91Å |
| 81 | Q | 82.2 | Confident | 75.1 | Confident | 130 Ų | 130 | 109.3 Ų | 109.3 | 61% | 0.607 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 176.3 | -73.1 | 175.5 | 9.1 | 0 | 0 | 112.6 | Q77 A78 E79 A85 | Q77-Q81 VanDerWaalsContact O-CG 3.32Å; Q77-Q81 WeakPolarHBondContact O-CG 3.47Å; Q77-Q81 PolarHBondContact O-N 3.29Å; A78-Q81 PolarHBondContact O-N 2.85Å; E79-Q81 VanDerWaalsContact C-N 3.33Å; E79-Q81 PolarHBondContact O-N 2.96Å; Q81-A85 VanDerWaalsContact O-CB 3.23Å; Q81-A85 WeakPolarHBondContact O-CB 3.29Å; Q81-A85 PolarHBondContact O-N 3.48Å |
| 82 | R | 79.2 | Confident | 74.3 | Confident | 194 Ų | 194 | 114.7 Ų | 114.7 | 73% | 0.732 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.2 | -42.8 | 175 | -75.6 | 172.8 | -177.3 | -172.1 | 0.4 | 111.5 | A78 E79 R80 A85 A86 | A78-R82 VanDerWaalsContact O-CG 3.27Å; A78-R82 WeakPolarHBondContact O-CG 3.3Å; A78-R82 PolarHBondContact O-N 3.27Å; E79-R82 WeakPolarHBondContact O-CB 3.42Å; E79-R82 PolarHBondContact O-N 2.85Å; R80-R82 PolarHBondContact O-N 3.42Å; R82-A85 PolarHBondContact O-N 2.86Å; R82-A86 WeakPolarHBondContact O-CB 3.35Å; R82-A86 PolarHBondContact O-N 3.06Å |
| 83 | K | 82.4 | Confident | 73.4 | Confident | 138 Ų | 138 | 116 Ų | 116 | 60% | 0.6 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.1 | -47.3 | 176.7 | -169.5 | 176.6 | 178.6 | 178.4 | 0 | 111.5 | E79 R80 A85 A86 E87 | E79-K83 WeakPolarHBondContact O-CB 3.39Å; E79-K83 PolarHBondContact O-N 3.3Å; R80-K83 PolarHBondContact O-N 3.29Å; K83-A85 VanDerWaalsContact C-N 3.32Å; K83-A85 PolarHBondContact O-N 2.92Å; K83-A86 WeakPolarHBondContact O-CB 3.43Å; K83-A86 PolarHBondContact O-N 3.23Å; K83-E87 WeakPolarHBondContact CE-OE1 3.4Å; K83-E87 WeakPolarHBondContact O-CG 3.25Å; K83-E87 PolarHBondContact O-N 2.9Å |
| 84 | E | 81.2 | Confident | 72.4 | Confident | 78 Ų | 78 | 110.2 Ų | 110.2 | 36% | 0.364 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.6 | -37.9 | 175 | -73.4 | 178.7 | -155.5 | 0 | 0 | 112.5 | R80 E87 R88 | R80-E84 WeakPolarHBondContact O-CB 3.35Å; R80-E84 WeakPolarHBondContact O-CG 3.39Å; R80-E84 PolarHBondContact O-N 2.91Å; E84-E87 PolarHBondContact O-N 3.2Å; E84-R88 WeakPolarHBondContact O-CB 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.39Å; E84-R88 PolarHBondContact O-N 2.95Å; E84-R88 IonicContact OE2-NH2 3.75Å |
| 85 | A | 77.4 | Confident | 71.5 | Confident | 46 Ų | 46 | 115.3 Ų | 115.3 | 38% | 0.38 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.8 | -37.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q81 R82 K83 R88 R89 | Q81-A85 VanDerWaalsContact O-CB 3.23Å; Q81-A85 WeakPolarHBondContact O-CB 3.29Å; Q81-A85 PolarHBondContact O-N 3.48Å; R82-A85 PolarHBondContact O-N 2.86Å; K83-A85 VanDerWaalsContact C-N 3.32Å; K83-A85 PolarHBondContact O-N 2.92Å; A85-R88 PolarHBondContact O-N 3.45Å; A85-R89 WeakPolarHBondContact O-CG 3.45Å; A85-R89 PolarHBondContact O-N 2.81Å |
| 86 | A | 75.6 | Confident | 70.9 | Confident | 53 Ų | 53 | 114.9 Ų | 114.9 | 44% | 0.438 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111 | R82 K83 R88 R89 | R82-A86 WeakPolarHBondContact O-CB 3.35Å; R82-A86 PolarHBondContact O-N 3.06Å; K83-A86 WeakPolarHBondContact O-CB 3.43Å; K83-A86 PolarHBondContact O-N 3.23Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 2.84Å; A86-R89 PolarHBondContact O-N 3.3Å; A86-R89 VanDerWaalsContact O-N 3.16Å |
| 87 | E | 71 | Confident | 70 | Confident | 115 Ų | 115 | 114.3 Ų | 114.3 | 54% | 0.537 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61 | -38.2 | 176.1 | -71.8 | 172.3 | -169.1 | 0 | 0 | 112.2 | K83 E84 | K83-E87 WeakPolarHBondContact CE-OE1 3.4Å; K83-E87 WeakPolarHBondContact O-CG 3.25Å; K83-E87 PolarHBondContact O-N 2.9Å; E84-E87 PolarHBondContact O-N 3.2Å |
| 88 | R | 66.1 | Low | 68.8 | Low | 177 Ų | 177 | 111.7 Ų | 111.7 | 67% | 0.668 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.5 | -28.4 | 176.4 | -74.2 | -180 | -171.5 | 151.6 | 11.9 | 113.7 | E84 A85 A86 N90 V91 | E84-R88 WeakPolarHBondContact O-CB 3.48Å; E84-R88 WeakPolarHBondContact O-CG 3.39Å; E84-R88 PolarHBondContact O-N 2.95Å; E84-R88 IonicContact OE2-NH2 3.75Å; A85-R88 PolarHBondContact O-N 3.45Å; A86-R88 VanDerWaalsContact C-N 3.31Å; A86-R88 PolarHBondContact O-N 2.84Å; R88-N90 PolarHBondContact O-N 2.96Å; R88-V91 PolarHBondContact O-N 3.36Å |
| 89 | R | 57.3 | Low | 67.7 | Low | 212 Ų | 212 | 113.5 Ų | 113.5 | 80% | 0.8 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -27.3 | 178.2 | -83.2 | 178.1 | 178.7 | 179.8 | 0.1 | 112.7 | A85 A86 V91 | A85-R89 WeakPolarHBondContact O-CG 3.45Å; A85-R89 PolarHBondContact O-N 2.81Å; A86-R89 PolarHBondContact O-N 3.3Å; A86-R89 VanDerWaalsContact O-N 3.16Å; R89-V91 PolarHBondContact O-N 3.13Å |
| 90 | N | 55.5 | Low | 66.6 | Low | 52 Ų | 52 | 112.3 Ų | 112.3 | 28% | 0.278 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | 6.9 | 178.3 | -68 | -15.9 | 0 | 0 | 0 | 113.8 | R88 R102 V103 D105 | R88-N90 PolarHBondContact O-N 2.96Å; N90-R102 WeakPolarHBondContact O-CA 3.42Å; N90-V103 PolarHBondContact O-N 3.21Å; N90-D105 VanDerWaalsContact ND2-CG 3.29Å; N90-D105 PolarHBondContact ND2-OD1 3.12Å |
| 91 | V | 56 | Low | 65.6 | Low | 57 Ų | 57 | 110.6 Ų | 110.6 | 35% | 0.345 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 99.4 | 178.8 | -178.6 | 0 | 0 | 0 | 0 | 109.4 | R88 R89 L100 | R88-V91 PolarHBondContact O-N 3.36Å; R89-V91 PolarHBondContact O-N 3.13Å; V91-L100 HydrophobicContact CG1-CD2 3.29Å; V91-L100 HydrophobicContact CG1-CG 3.62Å; V91-L100 HydrophobicContact CG2-CD2 4.49Å |
| 92 | K | 57.8 | Low | 64.5 | Low | 146 Ų | 146 | 114.1 Ų | 114.1 | 64% | 0.635 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.5 | 165.9 | -74.2 | -178.6 | -179.1 | 172.7 | 0 | 108.2 | D94 I101 | K92-D94 PolarHBondContact O-N 2.9Å; K92-I101 PolarHBondContact N-O 3.37Å; K92-I101 VanDerWaalsContact N-O 3.12Å; K92-I101 PolarHBondContact O-N 3.24Å |
| 93 | L | 57.7 | Low | 63.5 | Low | 101 Ų | 101 | 108 Ų | 108 | 53% | 0.529 | 54% | 0.536 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 116 | 166.7 | -170.7 | 79.2 | 0 | 0 | 0 | 107.7 | R95 L100 | L93-R95 PolarHBondContact O-N 3.18Å; L93-L100 HydrophobicContact CD1-CD1 3.7Å; L93-L100 HydrophobicContact CD1-CG 4.31Å |
| 94 | D | 57 | Low | 62.2 | Low | 45 Ų | 45 | 106.2 Ų | 106.2 | 24% | 0.241 | 54% | 0.538 | C | S | . | . | trans | -70.9 | 110.5 | 168.1 | 178.3 | 6.5 | 0 | 0 | 0 | 108.8 | K92 T96 T97 G98 T99 I101 | K92-D94 PolarHBondContact O-N 2.9Å; D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 PolarHBondContact OD1-N 3Å; D94-T96 PolarHBondContact OD1-OG1 2.9Å; D94-T97 WeakPolarHBondContact CB-OG1 3.48Å; D94-T97 VanDerWaalsContact CG-OG1 3.23Å; D94-T97 PolarHBondContact O-N 3.22Å; D94-T97 WeakPolarHBondContact OD2-CG2 3.27Å; D94-T97 PolarHBondContact OD2-OG1 2.77Å; D94-G98 WeakPolarHBondContact O-CA 3.48Å; D94-G98 PolarHBondContact O-N 3.29Å; D94-T99 PolarHBondContact N-O 3.48Å; D94-I101 HydrophobicContact CB-CD1 4.06Å | ||
| 95 | R | 59.9 | Low | 61 | Low | 240 Ų | 240 | 108.2 Ų | 108.2 | 91% | 0.906 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -18.2 | -179 | -70.8 | -174.7 | 175.2 | 178.9 | -1.3 | 113 | L93 | L93-R95 PolarHBondContact O-N 3.18Š|
| 96 | T | 63.1 | Low | 59.7 | Low | 132 Ų | 132 | 113.2 Ų | 113.2 | 81% | 0.81 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -30.7 | -179 | 10.3 | 0 | 0 | 0 | 0 | 113.2 | D94 | D94-T96 PolarHBondContact O-N 2.86Å; D94-T96 PolarHBondContact OD1-N 3Å; D94-T96 PolarHBondContact OD1-OG1 2.9Å |
| 97 | T | 63.4 | Low | 58.4 | Low | 89 Ų | 89 | 114 Ų | 114 | 55% | 0.546 | 57% | 0.573 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113 | -11.2 | -178.9 | 58.9 | 0 | 0 | 0 | 0 | 114.1 | D94 T99 | D94-T97 WeakPolarHBondContact CB-OG1 3.48Å; D94-T97 VanDerWaalsContact CG-OG1 3.23Å; D94-T97 PolarHBondContact O-N 3.22Å; D94-T97 WeakPolarHBondContact OD2-CG2 3.27Å; D94-T97 PolarHBondContact OD2-OG1 2.77Å; T97-T99 WeakPolarHBondContact CB-OG1 3.39Å; T97-T99 PolarHBondContact O-N 2.97Å; T97-T99 WeakPolarHBondContact OG1-CB 3.35Å; T97-T99 PolarHBondContact OG1-N 3.37Å; T97-T99 PolarHBondContact OG1-OG1 3.3Å |
| 98 | G | 58.8 | Low | 57.5 | Low | 55 Ų | 55 | 115.6 Ų | 115.6 | 57% | 0.567 | 59% | 0.585 | S | S | * | * | trans | 71.2 | 6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D94 | D94-G98 WeakPolarHBondContact O-CA 3.48Å; D94-G98 PolarHBondContact O-N 3.29Å | ||
| 99 | T | 55.8 | Low | 56.8 | Low | 77 Ų | 77 | 115.2 Ų | 115.2 | 47% | 0.472 | 59% | 0.591 | S | S | . | * | trans | -85.2 | 131.7 | -174.6 | -41.2 | 0 | 0 | 0 | 0 | 110.5 | D94 T97 I101 | D94-T99 PolarHBondContact N-O 3.48Å; T97-T99 WeakPolarHBondContact CB-OG1 3.39Å; T97-T99 PolarHBondContact O-N 2.97Å; T97-T99 WeakPolarHBondContact OG1-CB 3.35Å; T97-T99 PolarHBondContact OG1-N 3.37Å; T97-T99 PolarHBondContact OG1-OG1 3.3Å; T99-I101 PolarHBondContact O-N 2.79Å | ||
| 100 | L | 59.4 | Low | 56.4 | Low | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 59% | 0.591 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -72.5 | 110.7 | 166.3 | -105.1 | 92.4 | 0 | 0 | 0 | 108.8 | V91 L93 R102 | V91-L100 HydrophobicContact CG1-CD2 3.29Å; V91-L100 HydrophobicContact CG1-CG 3.62Å; V91-L100 HydrophobicContact CG2-CD2 4.49Å; L93-L100 HydrophobicContact CD1-CD1 3.7Å; L93-L100 HydrophobicContact CD1-CG 4.31Å; L100-R102 PolarHBondContact O-N 3.36Å |
| 101 | I | 61.1 | Low | 55.8 | Low | 86 Ų | 86 | 119.9 Ų | 119.9 | 44% | 0.441 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -90.6 | 103.8 | 168.3 | -54.7 | 175.8 | 0 | 0 | 0 | 106.6 | K92 D94 T99 V103 | K92-I101 PolarHBondContact N-O 3.37Å; K92-I101 VanDerWaalsContact N-O 3.12Å; K92-I101 PolarHBondContact O-N 3.24Å; D94-I101 HydrophobicContact CB-CD1 4.06Å; T99-I101 PolarHBondContact O-N 2.79Å; I101-V103 HydrophobicContact CG2-CG2 4.44Å; I101-V103 PolarHBondContact O-N 2.85Å |
| 102 | R | 58.5 | Low | 55.3 | Low | 204 Ų | 204 | 124.5 Ų | 124.5 | 77% | 0.77 | 64% | 0.64 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -75 | 107.8 | 164.3 | -72.1 | -174.7 | 179.2 | -170.2 | -0.8 | 106.9 | N90 L100 | N90-R102 WeakPolarHBondContact O-CA 3.42Å; L100-R102 PolarHBondContact O-N 3.36Å |
| 103 | V | 58.1 | Low | 54.2 | Low | 66 Ų | 66 | 127.9 Ų | 127.9 | 40% | 0.4 | 65% | 0.654 | S | S | . | * | trans | -74.7 | 125.8 | 169.4 | -172 | 0 | 0 | 0 | 0 | 105.6 | N90 I101 D105 | N90-V103 PolarHBondContact O-N 3.21Å; I101-V103 HydrophobicContact CG2-CG2 4.44Å; I101-V103 PolarHBondContact O-N 2.85Å; V103-D105 PolarHBondContact O-N 3.37Å | ||
| 104 | P | 55.1 | Low | 53.6 | Low | 101 Ų | 101 | 128 Ų | 128 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | trans | -55.4 | 133.9 | 175.6 | 21.3 | -30.1 | 0 | 0 | 0 | 108.8 | L106 | P104-L106 PolarHBondContact O-N 3.5Š| ||
| 105 | D | 56.1 | Low | 53 | Low | 119 Ų | 119 | 134.2 Ų | 134.2 | 64% | 0.636 | 69% | 0.692 | S | S | * | * | trans | -60.6 | 101.5 | 174 | -148.6 | 17.3 | 0 | 0 | 0 | 106.1 | N90 V103 S107 | N90-D105 VanDerWaalsContact ND2-CG 3.29Å; N90-D105 PolarHBondContact ND2-OD1 3.12Å; V103-D105 PolarHBondContact O-N 3.37Å; D105-S107 PolarHBondContact O-N 2.87Å | ||
| 106 | L | 49.5 | Very low | 52.2 | Low | 151 Ų | 151 | 129.9 Ų | 129.9 | 79% | 0.791 | 69% | 0.686 | S | S | * | * | trans | -72.5 | 82.8 | 165.8 | -66.8 | 174.9 | 0 | 0 | 0 | 104.7 | P104 D108 | P104-L106 PolarHBondContact O-N 3.5Å; L106-D108 PolarHBondContact O-N 3.31Å | ||
| 107 | S | 49.2 | Very low | 51.4 | Low | 71 Ų | 71 | 131.3 Ų | 131.3 | 50% | 0.497 | 68% | 0.684 | S | S | . | * | trans | -57.8 | 123.1 | 162.7 | 54.4 | 0 | 0 | 0 | 0 | 106.7 | D105 E109 | D105-S107 PolarHBondContact O-N 2.87Å; S107-E109 PolarHBondContact O-N 3.46Å | ||
| 108 | D | 52.4 | Low | 50.2 | Low | 147 Ų | 147 | 134.1 Ų | 134.1 | 79% | 0.786 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -60.3 | 20.5 | 175.4 | -84.7 | -26 | 0 | 0 | 0 | 113.9 | L106 D110 | L106-D108 PolarHBondContact O-N 3.31Å; D108-D110 VanDerWaalsContact C-N 3.33Å |
| 109 | E | 51.6 | Low | 49.3 | Very low | 170 Ų | 170 | 139.3 Ų | 139.3 | 79% | 0.794 | 70% | 0.703 | S | S | * | * | G | 310 helix | trans | -87.7 | 1.4 | -179.6 | -63.9 | -67.1 | 149.8 | 0 | 0 | 113.1 | S107 | S107-E109 PolarHBondContact O-N 3.46Š|
| 110 | D | 47.4 | Very low | 48.6 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 79% | 0.791 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -107.7 | 5.5 | 175.4 | -78.7 | -28 | 0 | 0 | 0 | 114.1 | D108 L112 | D108-D110 VanDerWaalsContact C-N 3.33Å; D110-L112 PolarHBondContact O-N 3.01Å; D110-L112 VanDerWaalsContact O-N 3.13Å |
| 111 | Y | 44 | Very low | 47.6 | Very low | 214 Ų | 214 | 146 Ų | 146 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -85.8 | 86.2 | 166.8 | -102.8 | -88.6 | 0 | 0 | 0 | 110.2 | F113 | Y111-F113 PolarHBondContact O-N 3.42Š|
| 112 | L | 44.7 | Very low | 46.6 | Very low | 154 Ų | 154 | 148 Ų | 148 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -30.7 | 124.5 | 165.9 | -67.4 | 162.9 | 0 | 0 | 0 | 112.2 | D110 S114 | D110-L112 PolarHBondContact O-N 3.01Å; D110-L112 VanDerWaalsContact O-N 3.13Å; L112-S114 VanDerWaalsContact C-N 3.32Å; L112-S114 PolarHBondContact O-N 3.43Å | ||
| 113 | F | 35.8 | Very low | 45.8 | Very low | 216 Ų | 216 | 149.4 Ų | 149.4 | 95% | 0.947 | 75% | 0.753 | S | S | * | * | trans | -50.6 | 98.8 | 154.3 | -84.8 | -100.3 | 0 | 0 | 0 | 108.6 | Y111 | Y111-F113 PolarHBondContact O-N 3.42Š| ||
| 114 | S | 44.5 | Very low | 44.9 | Very low | 103 Ų | 103 | 155.4 Ų | 155.4 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -117.1 | 113.7 | 151.5 | 61.6 | 0 | 0 | 0 | 0 | 106.8 | L112 | L112-S114 VanDerWaalsContact C-N 3.32Å; L112-S114 PolarHBondContact O-N 3.43Å | ||
| 115 | E | 44.5 | Very low | 44.4 | Very low | 177 Ų | 177 | 155.7 Ų | 155.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | trans | -49.5 | 141.2 | 168 | -61.8 | 169.8 | 139.9 | 0 | 0 | 109.3 | ||||
| 116 | D | 42.2 | Very low | 43.8 | Very low | 148 Ų | 148 | 158.2 Ų | 158.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | 69.7 | 105.1 | 174.2 | -50.6 | -34.2 | 0 | 0 | 0 | 115.8 | ||||
| 117 | E | 46.3 | Very low | 43.9 | Very low | 163 Ų | 163 | 159.4 Ų | 159.4 | 76% | 0.762 | 79% | 0.794 | S | S | * | * | 176.5 | 113.8 | 124.4 | -94.5 | -177.8 | 163.5 | 0 | 0 | 111.9 | F119 | E117-F119 HydrophobicContact CB-CD2 3.99Å; E117-F119 HydrophobicContact CB-CE2 3.8Å; E117-F119 HydrophobicContact CG-CE2 4.13Å; E117-F119 PolarHBondContact O-N 2.84Å; E117-F119 WeakPolarHBondContact OE2-CE2 3.31Å | |||
| 118 | D | 39.4 | Very low | 43.5 | Very low | 147 Ų | 147 | 162.5 Ų | 162.5 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | trans | -64.7 | 117 | 166.7 | -74.4 | -47.5 | 0 | 0 | 0 | 110.4 | ||||
| 119 | F | 40.3 | Very low | 43.1 | Very low | 165 Ų | 165 | 159.7 Ų | 159.7 | 72% | 0.724 | 80% | 0.804 | S | S | * | * | trans | -131.2 | 111.7 | 164.2 | -79.4 | -78.1 | 0 | 0 | 0 | 112.6 | E117 | E117-F119 HydrophobicContact CB-CD2 3.99Å; E117-F119 HydrophobicContact CB-CE2 3.8Å; E117-F119 HydrophobicContact CG-CE2 4.13Å; E117-F119 PolarHBondContact O-N 2.84Å; E117-F119 WeakPolarHBondContact OE2-CE2 3.31Å | ||
| 120 | F | 39.8 | Very low | 42.4 | Very low | 183 Ų | 183 | 156.4 Ų | 156.4 | 80% | 0.803 | 81% | 0.806 | S | S | * | * | trans | -89.3 | 126.6 | 165.7 | -65.3 | -92.8 | 0 | 0 | 0 | 109.6 | ||||
| 121 | V | 40 | Very low | 42 | Very low | 134 Ų | 134 | 156.8 Ų | 156.8 | 81% | 0.812 | 81% | 0.806 | S | S | * | * | trans | -104.7 | 100.1 | 167.7 | -178.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 122 | V | 40.1 | Very low | 41.6 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 77% | 0.77 | 80% | 0.797 | S | S | * | * | trans | -83.5 | 121.4 | 168.2 | 177.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 123 | R | 40.7 | Very low | 41.4 | Very low | 234 Ų | 234 | 148.2 Ų | 148.2 | 88% | 0.883 | 79% | 0.791 | S | S | * | * | trans | -98 | 107.6 | 165.5 | -83.3 | -170.8 | 174.4 | -176.5 | 0.1 | 109.4 | S125 | R123-S125 PolarHBondContact O-N 2.96Š| ||
| 124 | E | 39.2 | Very low | 41.7 | Very low | 191 Ų | 191 | 145 Ų | 145 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | trans | -72.7 | 117.7 | 163.1 | -93.9 | -178.1 | 150.5 | 0 | 0 | 109.8 | ||||
| 125 | S | 44.3 | Very low | 41.4 | Very low | 108 Ų | 108 | 150.4 Ų | 150.4 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -106.4 | 109.4 | 165 | 53.4 | 0 | 0 | 0 | 0 | 109.5 | R123 K127 | R123-S125 PolarHBondContact O-N 2.96Å; S125-K127 PolarHBondContact O-N 2.88Å | ||
| 126 | N | 43.3 | Very low | 40.9 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -64.8 | 95.1 | 172 | -116.4 | -16.2 | 0 | 0 | 0 | 110.2 | ||||
| 127 | K | 51.8 | Low | 40.7 | Very low | 176 Ų | 176 | 148.2 Ų | 148.2 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | -170.9 | 127.6 | 156.5 | -105.6 | 162.5 | -169.9 | -177.6 | 0 | 110.1 | S125 S129 | S125-K127 PolarHBondContact O-N 2.88Å; K127-S129 PolarHBondContact O-N 3.23Å | ||
| 128 | P | 40.9 | Very low | 40.3 | Very low | 136 Ų | 136 | 145.7 Ų | 145.7 | 88% | 0.883 | 78% | 0.776 | S | S | * | * | trans | -78.3 | 92.1 | 178.8 | 32.6 | -30.3 | 0 | 0 | 0 | 108.4 | ||||
| 129 | S | 43.3 | Very low | 39.9 | Very low | 87 Ų | 87 | 141.5 Ų | 141.5 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | trans | -127.2 | 119.7 | 169.9 | -37.5 | 0 | 0 | 0 | 0 | 106.3 | K127 I131 | K127-S129 PolarHBondContact O-N 3.23Å; S129-I131 PolarHBondContact O-N 3.41Å | ||
| 130 | A | 37.7 | Very low | 39.7 | Very low | 101 Ų | 101 | 141 Ų | 141 | 84% | 0.835 | 77% | 0.771 | S | S | * | * | trans | -47 | 100.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | T132 | A130-T132 VanDerWaalsContact C-N 3.27Å; A130-T132 PolarHBondContact O-N 3.46Å; A130-T132 VanDerWaalsContact O-N 3.16Å | ||
| 131 | I | 38.8 | Very low | 39.6 | Very low | 157 Ų | 157 | 135.9 Ų | 135.9 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | trans | -82.8 | 87.2 | 163.9 | -59.4 | 175.2 | 0 | 0 | 0 | 104.9 | S129 A133 | S129-I131 PolarHBondContact O-N 3.41Å; I131-A133 PolarHBondContact O-N 3.05Å | ||
| 132 | T | 36.5 | Very low | 39.5 | Very low | 106 Ų | 106 | 137.1 Ų | 137.1 | 65% | 0.65 | 77% | 0.765 | S | S | * | * | trans | -63 | 97.8 | 157.6 | -49.1 | 0 | 0 | 0 | 0 | 105.8 | A130 N134 | A130-T132 VanDerWaalsContact C-N 3.27Å; A130-T132 PolarHBondContact O-N 3.46Å; A130-T132 VanDerWaalsContact O-N 3.16Å; T132-N134 PolarHBondContact O-N 2.81Å | ||
| 133 | A | 41.1 | Very low | 39.7 | Very low | 81 Ų | 81 | 134.3 Ų | 134.3 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -62.8 | 90.2 | 168.9 | 0 | 0 | 0 | 0 | 0 | 107.4 | I131 R135 | I131-A133 PolarHBondContact O-N 3.05Å; A133-R135 PolarHBondContact O-N 2.91Å | ||
| 134 | N | 40.3 | Very low | 39.5 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 80% | 0.797 | 75% | 0.754 | S | S | * | * | trans | -70.8 | 72.2 | 164.1 | -72.7 | -29.4 | 0 | 0 | 0 | 107.7 | T132 E136 | T132-N134 PolarHBondContact O-N 2.81Å; N134-E136 VanDerWaalsContact C-N 3.25Å; N134-E136 PolarHBondContact O-N 3.33Å | ||
| 135 | R | 38.1 | Very low | 39.7 | Very low | 216 Ų | 216 | 129.9 Ų | 129.9 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | trans | -86.3 | 78.5 | 162.8 | -158.8 | -171.8 | 167.8 | 139.2 | -4.1 | 105.4 | A133 V137 | A133-R135 PolarHBondContact O-N 2.91Å; R135-V137 HydrophobicContact CG-CG2 4Å; R135-V137 PolarHBondContact O-N 3.35Å | ||
| 136 | E | 35.4 | Very low | 39.6 | Very low | 174 Ų | 174 | 128.8 Ų | 128.8 | 81% | 0.813 | 75% | 0.746 | S | S | * | * | trans | -74.2 | 75.2 | 166.5 | -133.3 | 179.3 | -170.4 | 0 | 0 | 107.4 | N134 V138 | N134-E136 VanDerWaalsContact C-N 3.25Å; N134-E136 PolarHBondContact O-N 3.33Å; E136-V138 HydrophobicContact CG-CG2 4.18Å; E136-V138 PolarHBondContact O-N 3.49Å; E136-V138 VanDerWaalsContact O-N 3.11Å | ||
| 137 | V | 37.2 | Very low | 39.6 | Very low | 105 Ų | 105 | 128.4 Ų | 128.4 | 64% | 0.636 | 74% | 0.744 | S | S | * | * | trans | -69.6 | 95 | 150.6 | -178.1 | 0 | 0 | 0 | 0 | 103.6 | R135 G139 | R135-V137 HydrophobicContact CG-CG2 4Å; R135-V137 PolarHBondContact O-N 3.35Å; V137-G139 PolarHBondContact O-N 3.2Å | ||
| 138 | V | 37.4 | Very low | 39.5 | Very low | 110 Ų | 110 | 128.2 Ų | 128.2 | 67% | 0.667 | 75% | 0.746 | S | S | * | * | trans | -63 | 94.3 | 167.2 | 177.9 | 0 | 0 | 0 | 0 | 106.1 | E136 L140 | E136-V138 HydrophobicContact CG-CG2 4.18Å; E136-V138 PolarHBondContact O-N 3.49Å; E136-V138 VanDerWaalsContact O-N 3.11Å; V138-L140 PolarHBondContact O-N 3.45Å; V138-L140 VanDerWaalsContact O-N 3.1Å | ||
| 139 | G | 31.6 | Very low | 39.8 | Very low | 59 Ų | 59 | 129.4 Ų | 129.4 | 61% | 0.608 | 75% | 0.745 | S | S | * | * | trans | -63.6 | 105.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.5 | V137 A141 | V137-G139 PolarHBondContact O-N 3.2Å; G139-A141 PolarHBondContact O-N 3.02Å | ||
| 140 | L | 36.4 | Very low | 40.3 | Very low | 155 Ų | 155 | 135.2 Ų | 135.2 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -74.9 | 74.9 | 148.1 | -100.2 | 138.3 | 0 | 0 | 0 | 107.1 | V138 | V138-L140 PolarHBondContact O-N 3.45Å; V138-L140 VanDerWaalsContact O-N 3.1Å | ||
| 141 | A | 38.1 | Very low | 41 | Very low | 76 Ų | 76 | 135.9 Ų | 135.9 | 63% | 0.628 | 75% | 0.749 | S | S | * | * | trans | -70.1 | 135.9 | 157.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | G139 | G139-A141 PolarHBondContact O-N 3.02Š| ||
| 142 | N | 38.4 | Very low | 41.6 | Very low | 160 Ų | 160 | 133.6 Ų | 133.6 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | trans | 68.8 | 70.6 | 164.7 | -54.2 | -12.2 | 0 | 0 | 0 | 116.3 | ||||
| 143 | S | 42.4 | Very low | 42.1 | Very low | 68 Ų | 68 | 136.2 Ų | 136.2 | 48% | 0.476 | 76% | 0.756 | S | S | . | * | trans | -130 | 102.5 | 142.8 | 56.2 | 0 | 0 | 0 | 0 | 109.2 | F145 | S143-F145 PolarHBondContact O-N 3.25Å; S143-F145 WeakPolarHBondContact OG-CD2 3.45Å; S143-F145 VanDerWaalsContact OG-CE2 3.31Å; S143-F145 WeakPolarHBondContact OG-CE2 3.4Å | ||
| 144 | T | 37.9 | Very low | 42.4 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 95% | 0.945 | 76% | 0.759 | S | S | * | * | trans | -58 | 89.1 | 160.6 | 9.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 145 | F | 42.9 | Very low | 42.2 | Very low | 177 Ų | 177 | 141.8 Ų | 141.8 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -85.3 | 108.6 | 163.4 | -85.3 | -82.8 | 0 | 0 | 0 | 106.9 | S143 D147 | S143-F145 PolarHBondContact O-N 3.25Å; S143-F145 WeakPolarHBondContact OG-CD2 3.45Å; S143-F145 VanDerWaalsContact OG-CE2 3.31Å; S143-F145 WeakPolarHBondContact OG-CE2 3.4Å; F145-D147 PolarHBondContact O-N 3.03Å | ||
| 146 | A | 43.4 | Very low | 42.9 | Very low | 85 Ų | 85 | 140.6 Ų | 140.6 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -57.7 | 120.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | E148 | A146-E148 PolarHBondContact O-N 3.33Š| ||
| 147 | D | 42.7 | Very low | 43.3 | Very low | 165 Ų | 165 | 139 Ų | 139 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -64.8 | 84.8 | 165.2 | -128.5 | -5.6 | 0 | 0 | 0 | 106.2 | F145 D149 | F145-D147 PolarHBondContact O-N 3.03Å; D147-D149 PolarHBondContact O-N 3.36Å | ||
| 148 | E | 49.4 | Very low | 43.6 | Very low | 172 Ų | 172 | 140.7 Ų | 140.7 | 80% | 0.804 | 80% | 0.797 | S | S | * | * | trans | -76.4 | 110.3 | 170 | -94.1 | -175 | 123.2 | 0 | 0 | 108.5 | A146 W150 | A146-E148 PolarHBondContact O-N 3.33Å; E148-W150 PolarHBondContact O-N 2.93Å | ||
| 149 | D | 47.2 | Very low | 43.9 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 86% | 0.856 | 80% | 0.804 | S | S | * | * | trans | -32.3 | 111.1 | 178.5 | -76.3 | -60.3 | 0 | 0 | 0 | 114.6 | D147 | D147-D149 PolarHBondContact O-N 3.36Š| ||
| 150 | W | 52.6 | Low | 44.7 | Very low | 209 Ų | 209 | 147.4 Ų | 147.4 | 79% | 0.792 | 82% | 0.815 | S | S | * | * | trans | -78.6 | 132.1 | 154.4 | -81.6 | 82.9 | 0 | 0 | 0 | 108.7 | E148 S152 | E148-W150 PolarHBondContact O-N 2.93Å; W150-S152 PolarHBondContact O-N 3.16Å | ||
| 151 | P | 54.1 | Low | 45.2 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 75% | 0.747 | 82% | 0.816 | S | S | * | * | trans | -63.3 | 113.1 | 179.8 | 24.7 | -31.4 | 0 | 0 | 0 | 109.2 | L153 | P151-L153 PolarHBondContact O-N 2.81Š| ||
| 152 | S | 51.7 | Low | 45.7 | Very low | 109 Ų | 109 | 151.6 Ų | 151.6 | 76% | 0.762 | 83% | 0.828 | S | S | * | * | trans | -64.5 | 117.6 | 168.9 | 31.3 | 0 | 0 | 0 | 0 | 108 | W150 S154 | W150-S152 PolarHBondContact O-N 3.16Å; S152-S154 PolarHBondContact O-N 3.43Å | ||
| 153 | L | 45.8 | Very low | 46.2 | Very low | 161 Ų | 161 | 151 Ų | 151 | 84% | 0.843 | 83% | 0.826 | S | S | * | * | trans | -71.4 | 84 | 166.8 | -77.4 | 163.9 | 0 | 0 | 0 | 107.5 | P151 R155 | P151-L153 PolarHBondContact O-N 2.81Å; L153-R155 PolarHBondContact O-N 3.26Å | ||
| 154 | S | 48.6 | Very low | 46.5 | Very low | 103 Ų | 103 | 157.4 Ų | 157.4 | 72% | 0.72 | 85% | 0.853 | S | S | * | * | trans | -64.6 | 117.2 | 160.6 | 46.1 | 0 | 0 | 0 | 0 | 108.1 | S152 S156 | S152-S154 PolarHBondContact O-N 3.43Å; S154-S156 PolarHBondContact O-N 3.2Å | ||
| 155 | R | 36.2 | Very low | 47.2 | Very low | 245 Ų | 245 | 157.7 Ų | 157.7 | 93% | 0.925 | 85% | 0.845 | S | S | * | * | trans | -64.9 | 121.9 | 162.6 | -74.9 | 177.2 | 166.2 | -159.4 | -3.4 | 108.1 | L153 | L153-R155 PolarHBondContact O-N 3.26Š| ||
| 156 | S | 51.7 | Low | 47.6 | Very low | 191 Ų | 191 | 155.9 Ų | 155.9 | 100% | 1.336 | 85% | 0.852 | S | S | * | * | trans | -143.3 | 0 | 155.3 | -57.1 | 0 | 0 | 0 | 0 | 107.4 | S154 | S154-S156 PolarHBondContact O-N 3.2Š|
Retrieved 156 of 156 residues in 93.1 ms
(Link to these results)