| 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 | 42.9 | Very low | 51.4 | Low | 245 Ų | 245 | 146.7 Ų | 146.7 | 100% | 1.207 | 72% | 0.723 | S | S | * | * | 0 | 113.4 | 0 | -80.6 | 175 | 168.6 | 0 | 0 | 106 | D3 | M1-D3 PolarHBondContact O-N 3.13Š| |||
| 2 | H | 50.1 | Low | 51.8 | Low | 189 Ų | 189 | 139.9 Ų | 139.9 | 88% | 0.875 | 70% | 0.696 | S | S | * | * | trans | -71.6 | 121.5 | 173.1 | -71.5 | 98.7 | 0 | 0 | 0 | 107.3 | R4 | H2-R4 PolarHBondContact O-N 2.92Å; H2-R4 VanDerWaalsContact O-N 3.08Å | ||
| 3 | D | 50.6 | Low | 52.3 | Low | 112 Ų | 112 | 138.1 Ų | 138.1 | 60% | 0.599 | 70% | 0.7 | S | S | * | * | trans | -64.8 | 107.7 | 176.9 | -163.7 | -15.2 | 0 | 0 | 0 | 107.7 | M1 S5 | M1-D3 PolarHBondContact O-N 3.13Å; D3-S5 PolarHBondContact O-N 3.22Å; D3-S5 VanDerWaalsContact OD1-CB 3.28Å; D3-S5 WeakPolarHBondContact OD1-CB 3.34Å; D3-S5 PolarHBondContact OD1-N 3.16Å; D3-S5 VanDerWaalsContact OD1-N 3.15Å; D3-S5 PolarHBondContact OD1-OG 2.76Å; D3-S5 PolarHBondContact OD2-OG 3.37Å | ||
| 4 | R | 56.2 | Low | 53.1 | Low | 216 Ų | 216 | 137.6 Ų | 137.6 | 82% | 0.815 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -70.3 | -10.8 | 179.5 | -78.7 | -177.7 | 169.9 | -179.4 | -3.7 | 111.8 | H2 D6 S7 | H2-R4 PolarHBondContact O-N 2.92Å; H2-R4 VanDerWaalsContact O-N 3.08Å; R4-D6 VanDerWaalsContact C-N 3.27Å; R4-D6 PolarHBondContact O-N 3.23Å; R4-S7 PolarHBondContact O-N 3.24Å; R4-S7 VanDerWaalsContact O-N 3.11Å; R4-S7 PolarHBondContact O-OG 2.95Å |
| 5 | S | 55.1 | Low | 54.4 | Low | 59 Ų | 59 | 133.1 Ų | 133.1 | 41% | 0.413 | 68% | 0.679 | S | S | . | * | G | 310 helix | trans | -63.5 | -30.9 | 179.9 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | D3 S7 Q8 | D3-S5 PolarHBondContact O-N 3.22Å; D3-S5 VanDerWaalsContact OD1-CB 3.28Å; D3-S5 WeakPolarHBondContact OD1-CB 3.34Å; D3-S5 PolarHBondContact OD1-N 3.16Å; D3-S5 VanDerWaalsContact OD1-N 3.15Å; D3-S5 PolarHBondContact OD1-OG 2.76Å; D3-S5 PolarHBondContact OD2-OG 3.37Å; S5-S7 PolarHBondContact O-N 3.03Å; S5-S7 VanDerWaalsContact O-N 3.14Å; S5-Q8 WeakPolarHBondContact O-CB 3.28Å; S5-Q8 PolarHBondContact O-N 3.1Å |
| 6 | D | 52.7 | Low | 55.6 | Low | 155 Ų | 155 | 130.9 Ų | 130.9 | 83% | 0.829 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -64.1 | -19.9 | 175.7 | -79.7 | -23.9 | 0 | 0 | 0 | 113.2 | R4 | R4-D6 VanDerWaalsContact C-N 3.27Å; R4-D6 PolarHBondContact O-N 3.23Å |
| 7 | S | 52.4 | Low | 56.9 | Low | 85 Ų | 85 | 134.9 Ų | 134.9 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -100.1 | 3.4 | 176.2 | 65.2 | 0 | 0 | 0 | 0 | 113.9 | R4 S5 V9 | R4-S7 PolarHBondContact O-N 3.24Å; R4-S7 VanDerWaalsContact O-N 3.11Å; R4-S7 PolarHBondContact O-OG 2.95Å; S5-S7 PolarHBondContact O-N 3.03Å; S5-S7 VanDerWaalsContact O-N 3.14Å; S7-V9 VanDerWaalsContact C-N 3.32Å; S7-V9 PolarHBondContact O-N 3.33Å |
| 8 | Q | 51.4 | Low | 58.1 | Low | 162 Ų | 162 | 136.4 Ų | 136.4 | 76% | 0.757 | 67% | 0.665 | S | S | * | * | trans | -72.1 | 92.8 | -179.6 | -171.9 | 161.6 | -26.4 | 0 | 0 | 109.2 | S5 D10 | S5-Q8 WeakPolarHBondContact O-CB 3.28Å; S5-Q8 PolarHBondContact O-N 3.1Å; Q8-D10 PolarHBondContact O-N 3.34Å | ||
| 9 | V | 47.6 | Very low | 59 | Low | 86 Ų | 86 | 132.4 Ų | 132.4 | 52% | 0.521 | 65% | 0.652 | S | S | . | * | trans | -67.2 | 114 | 172.8 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | S7 Y11 | S7-V9 VanDerWaalsContact C-N 3.32Å; S7-V9 PolarHBondContact O-N 3.33Å; V9-Y11 HydrophobicContact CB-CD2 4.43Å; V9-Y11 HydrophobicContact CB-CE1 4.26Å; V9-Y11 HydrophobicContact CB-CE2 3.84Å; V9-Y11 HydrophobicContact CG1-CD1 4.01Å; V9-Y11 HydrophobicContact CG1-CD2 4.41Å; V9-Y11 HydrophobicContact CG1-CE1 3.62Å; V9-Y11 HydrophobicContact CG1-CE2 4.05Å; V9-Y11 HydrophobicContact CG1-CG 4.39Å; V9-Y11 VanDerWaalsContact O-CD2 3.26Å; V9-Y11 WeakPolarHBondContact O-CD2 3.41Å; V9-Y11 PolarHBondContact O-N 2.8Å; V9-Y11 VanDerWaalsContact O-N 3.13Å | ||
| 10 | D | 56.1 | Low | 60.1 | Low | 103 Ų | 103 | 128 Ų | 128 | 55% | 0.551 | 63% | 0.629 | S | S | * | * | trans | -74.9 | 99.7 | 172.3 | -172.1 | 4.3 | 0 | 0 | 0 | 109.1 | Q8 T12 | Q8-D10 PolarHBondContact O-N 3.34Å; D10-T12 WeakPolarHBondContact OD1-CB 3.27Å; D10-T12 VanDerWaalsContact OD1-CG2 3.31Å; D10-T12 WeakPolarHBondContact OD1-CG2 3.34Å; D10-T12 PolarHBondContact OD1-N 3.19Å; D10-T12 PolarHBondContact OD1-OG1 3.18Å; D10-T12 PolarHBondContact OD2-OG1 3.08Å; D10-T12 VanDerWaalsContact OD2-OG1 3.04Å | ||
| 11 | Y | 49.9 | Very low | 61.2 | Low | 202 Ų | 202 | 126.3 Ų | 126.3 | 79% | 0.792 | 62% | 0.623 | S | S | * | * | trans | -82 | -0.1 | 174 | -60.3 | -76.8 | 0 | 0 | 0 | 112.7 | V9 | V9-Y11 HydrophobicContact CB-CD2 4.43Å; V9-Y11 HydrophobicContact CB-CE1 4.26Å; V9-Y11 HydrophobicContact CB-CE2 3.84Å; V9-Y11 HydrophobicContact CG1-CD1 4.01Å; V9-Y11 HydrophobicContact CG1-CD2 4.41Å; V9-Y11 HydrophobicContact CG1-CE1 3.62Å; V9-Y11 HydrophobicContact CG1-CE2 4.05Å; V9-Y11 HydrophobicContact CG1-CG 4.39Å; V9-Y11 VanDerWaalsContact O-CD2 3.26Å; V9-Y11 WeakPolarHBondContact O-CD2 3.41Å; V9-Y11 PolarHBondContact O-N 2.8Å; V9-Y11 VanDerWaalsContact O-N 3.13Å | ||
| 12 | T | 57 | Low | 63 | Low | 65 Ų | 65 | 119.6 Ų | 119.6 | 40% | 0.399 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -63 | 146.3 | 174.2 | 63.3 | 0 | 0 | 0 | 0 | 109.4 | D10 N14 | D10-T12 WeakPolarHBondContact OD1-CB 3.27Å; D10-T12 VanDerWaalsContact OD1-CG2 3.31Å; D10-T12 WeakPolarHBondContact OD1-CG2 3.34Å; D10-T12 PolarHBondContact OD1-N 3.19Å; D10-T12 PolarHBondContact OD1-OG1 3.18Å; D10-T12 PolarHBondContact OD2-OG1 3.08Å; D10-T12 VanDerWaalsContact OD2-OG1 3.04Å; T12-N14 PolarHBondContact O-N 2.77Å; T12-N14 WeakPolarHBondContact OG1-CB 3.23Å; T12-N14 VanDerWaalsContact OG1-CG 3.29Å; T12-N14 PolarHBondContact OG1-ND2 3.15Å |
| 13 | P | 58 | Low | 64.5 | Low | 116 Ų | 116 | 115.2 Ų | 115.2 | 75% | 0.753 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -67.1 | 5.3 | 178 | 28.1 | -35.1 | 0 | 0 | 0 | 113.2 | D15 F16 | P13-D15 PolarHBondContact O-N 2.63Å; P13-F16 PolarHBondContact O-N 3.28Å |
| 14 | N | 63.5 | Low | 66 | Low | 132 Ų | 132 | 111.4 Ų | 111.4 | 71% | 0.706 | 55% | 0.553 | S | S | * | * | G | 310 helix | trans | -57.2 | -25 | -172.6 | -73.3 | -22.3 | 0 | 0 | 0 | 113 | T12 | T12-N14 PolarHBondContact O-N 2.77Å; T12-N14 WeakPolarHBondContact OG1-CB 3.23Å; T12-N14 VanDerWaalsContact OG1-CG 3.29Å; T12-N14 PolarHBondContact OG1-ND2 3.15Å |
| 15 | D | 72.3 | Confident | 67.2 | Low | 70 Ų | 70 | 107.3 Ų | 107.3 | 37% | 0.374 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -137.9 | 50.7 | 177 | -150 | -10.5 | 0 | 0 | 0 | 113.7 | P13 R17 R18 S19 | P13-D15 PolarHBondContact O-N 2.63Å; D15-R17 PolarHBondContact O-N 2.77Å; D15-R17 VanDerWaalsContact O-N 3.15Å; D15-R18 HydrophobicContact CB-CB 4.07Å; D15-R18 PolarHBondContact O-N 3.02Å; D15-R18 WeakPolarHBondContact OD1-CB 3.21Å; D15-R18 PolarHBondContact OD1-N 3.11Å; D15-R18 WeakPolarHBondContact OD2-CB 3.21Å; D15-R18 WeakPolarHBondContact OD2-CD 3.35Å; D15-S19 PolarHBondContact O-N 3.41Å; D15-S19 PolarHBondContact O-OG 2.85Å |
| 16 | F | 73.2 | Confident | 68.4 | Low | 98 Ų | 98 | 107.8 Ų | 107.8 | 43% | 0.43 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -47.9 | -40.9 | 171.4 | 172.2 | -97.1 | 0 | 0 | 0 | 112 | P13 S19 F20 Q42 | P13-F16 PolarHBondContact O-N 3.28Å; F16-S19 PolarHBondContact O-N 3.01Å; F16-F20 HydrophobicContact CE1-CB 4.28Å; F16-F20 HydrophobicContact CE1-CD2 4.46Å; F16-F20 HydrophobicContact CZ-CB 4.35Å; F16-F20 HydrophobicContact CZ-CD2 4.06Å; F16-F20 WeakPolarHBondContact O-CB 3.46Å; F16-F20 PolarHBondContact O-N 3.3Å; F16-Q42 VanDerWaalsContact CE1-CD 3.44Å; F16-Q42 HydrophobicContact CE1-CG 4.1Å; F16-Q42 HydrophobicContact CZ-CB 4.38Å; F16-Q42 HydrophobicContact CZ-CG 3.84Å |
| 17 | R | 77.4 | Confident | 69.5 | Low | 198 Ų | 198 | 101.1 Ų | 101.1 | 75% | 0.747 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -47.2 | -177.8 | -63.7 | 179.4 | 81.5 | 152 | 4.1 | 111.6 | D15 F20 D21 | D15-R17 PolarHBondContact O-N 2.77Å; D15-R17 VanDerWaalsContact O-N 3.15Å; R17-F20 PolarHBondContact O-N 3.14Å; R17-D21 WeakPolarHBondContact O-CB 3.45Å; R17-D21 VanDerWaalsContact O-CG 3.3Å; R17-D21 PolarHBondContact O-N 3.37Å |
| 18 | R | 79.1 | Confident | 70.7 | Confident | 163 Ų | 163 | 100.1 Ų | 100.1 | 62% | 0.615 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.4 | -43.6 | 176 | -178.7 | 179.7 | 179.6 | -174.4 | -0.7 | 112.2 | D15 F20 D21 I22 | D15-R18 HydrophobicContact CB-CB 4.07Å; D15-R18 PolarHBondContact O-N 3.02Å; D15-R18 WeakPolarHBondContact OD1-CB 3.21Å; D15-R18 PolarHBondContact OD1-N 3.11Å; D15-R18 WeakPolarHBondContact OD2-CB 3.21Å; D15-R18 WeakPolarHBondContact OD2-CD 3.35Å; R18-F20 VanDerWaalsContact C-N 3.33Å; R18-D21 PolarHBondContact O-N 2.68Å; R18-I22 HydrophobicContact CG-CD1 3.95Å; R18-I22 VanDerWaalsContact O-CG1 3.27Å; R18-I22 WeakPolarHBondContact O-CG1 3.47Å; R18-I22 PolarHBondContact O-N 2.9Å |
| 19 | S | 75.3 | Confident | 71.7 | Confident | 60 Ų | 60 | 95.2 Ų | 95.2 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 176.8 | -67 | 0 | 0 | 0 | 0 | 111.2 | D15 F16 D21 I22 I23 | D15-S19 PolarHBondContact O-N 3.41Å; D15-S19 PolarHBondContact O-OG 2.85Å; F16-S19 PolarHBondContact O-N 3.01Å; S19-D21 PolarHBondContact O-N 3.47Å; S19-I22 PolarHBondContact O-N 3.42Å; S19-I23 WeakPolarHBondContact O-CD1 3.49Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.36Å; S19-I23 PolarHBondContact O-N 2.97Å |
| 20 | F | 82 | Confident | 72.7 | Confident | 43 Ų | 43 | 92.9 Ų | 92.9 | 19% | 0.189 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -58.9 | -45.9 | 174.7 | -178.4 | -91 | 0 | 0 | 0 | 111.7 | F16 R17 R18 I23 N24 V40 Q42 | F16-F20 HydrophobicContact CE1-CB 4.28Å; F16-F20 HydrophobicContact CE1-CD2 4.46Å; F16-F20 HydrophobicContact CZ-CB 4.35Å; F16-F20 HydrophobicContact CZ-CD2 4.06Å; F16-F20 WeakPolarHBondContact O-CB 3.46Å; F16-F20 PolarHBondContact O-N 3.3Å; R17-F20 PolarHBondContact O-N 3.14Å; R18-F20 VanDerWaalsContact C-N 3.33Å; F20-I23 PolarHBondContact O-N 3.47Å; F20-N24 HydrophobicContact CE1-CB 4.47Å; F20-N24 VanDerWaalsContact O-CB 3.23Å; F20-N24 WeakPolarHBondContact O-CB 3.26Å; F20-N24 PolarHBondContact O-N 3.18Å; F20-V40 HydrophobicContact CD2-CG1 4.31Å; F20-V40 HydrophobicContact CE2-CB 4.31Å; F20-V40 HydrophobicContact CE2-CG1 3.7Å; F20-V40 HydrophobicContact CZ-CB 4.39Å; F20-V40 HydrophobicContact CZ-CG1 4.25Å; F20-V40 WeakPolarHBondContact CZ-O 3.22Å; F20-Q42 HydrophobicContact CE2-CB 4.03Å; F20-Q42 HydrophobicContact CZ-CB 4.5Å |
| 21 | D | 81.6 | Confident | 73.1 | Confident | 93 Ų | 93 | 97 Ų | 97 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63 | -44.6 | 178.7 | -74.9 | -21 | 0 | 0 | 0 | 111.8 | R17 R18 S19 I23 N24 Q25 | R17-D21 WeakPolarHBondContact O-CB 3.45Å; R17-D21 VanDerWaalsContact O-CG 3.3Å; R17-D21 PolarHBondContact O-N 3.37Å; R18-D21 PolarHBondContact O-N 2.68Å; S19-D21 PolarHBondContact O-N 3.47Å; D21-I23 PolarHBondContact O-N 2.93Å; D21-N24 PolarHBondContact O-N 3.2Å; D21-Q25 WeakPolarHBondContact O-CB 3.09Å; D21-Q25 VanDerWaalsContact O-CG 3.26Å; D21-Q25 WeakPolarHBondContact O-CG 3.06Å; D21-Q25 PolarHBondContact O-N 3.38Å |
| 22 | I | 81.3 | Confident | 73.7 | Confident | 104 Ų | 104 | 91.1 Ų | 91.1 | 53% | 0.533 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -59.4 | -47.9 | 176.7 | -69.8 | 166.3 | 0 | 0 | 0 | 110.6 | R18 S19 Q25 A26 | R18-I22 HydrophobicContact CG-CD1 3.95Å; R18-I22 VanDerWaalsContact O-CG1 3.27Å; R18-I22 WeakPolarHBondContact O-CG1 3.47Å; R18-I22 PolarHBondContact O-N 2.9Å; S19-I22 PolarHBondContact O-N 3.42Å; I22-Q25 PolarHBondContact O-N 3.44Å; I22-A26 PolarHBondContact O-N 3.37Å |
| 23 | I | 80.9 | Confident | 73.6 | Confident | 98 Ų | 98 | 94.4 Ų | 94.4 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 179.7 | -64.8 | 166.2 | 0 | 0 | 0 | 110.2 | S19 F20 D21 Q25 A26 A27 V40 | S19-I23 WeakPolarHBondContact O-CD1 3.49Å; S19-I23 VanDerWaalsContact O-CG1 3.22Å; S19-I23 WeakPolarHBondContact O-CG1 3.36Å; S19-I23 PolarHBondContact O-N 2.97Å; F20-I23 PolarHBondContact O-N 3.47Å; D21-I23 PolarHBondContact O-N 2.93Å; I23-Q25 VanDerWaalsContact C-N 3.34Å; I23-Q25 PolarHBondContact O-N 2.89Å; I23-A26 PolarHBondContact O-N 3.4Å; I23-A27 VanDerWaalsContact O-CB 3.23Å; I23-A27 WeakPolarHBondContact O-CB 3.23Å; I23-A27 PolarHBondContact O-N 3Å; I23-V40 HydrophobicContact CG2-CG2 4.2Å |
| 24 | N | 82.8 | Confident | 73.8 | Confident | 31 Ų | 31 | 95.1 Ų | 95.1 | 17% | 0.166 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 179.5 | -171.3 | 44.1 | 0 | 0 | 0 | 111.6 | F20 D21 A27 L28 V40 | F20-N24 HydrophobicContact CE1-CB 4.47Å; F20-N24 VanDerWaalsContact O-CB 3.23Å; F20-N24 WeakPolarHBondContact O-CB 3.26Å; F20-N24 PolarHBondContact O-N 3.18Å; D21-N24 PolarHBondContact O-N 3.2Å; N24-A27 PolarHBondContact O-N 3.38Å; N24-L28 WeakPolarHBondContact O-CB 3.22Å; N24-L28 WeakPolarHBondContact O-CG 3.01Å; N24-L28 PolarHBondContact O-N 2.72Å; N24-V40 HydrophobicContact CB-CB 4.21Å; N24-V40 HydrophobicContact CB-CG2 4.44Å; N24-V40 PolarHBondContact OD1-N 2.85Å |
| 25 | Q | 81.7 | Confident | 73.7 | Confident | 130 Ų | 130 | 98 Ų | 98 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -43.9 | 174.6 | -71.1 | -63.8 | -18.4 | 0 | 0 | 112.4 | D21 I22 I23 A27 L28 G29 | D21-Q25 WeakPolarHBondContact O-CB 3.09Å; D21-Q25 VanDerWaalsContact O-CG 3.26Å; D21-Q25 WeakPolarHBondContact O-CG 3.06Å; D21-Q25 PolarHBondContact O-N 3.38Å; I22-Q25 PolarHBondContact O-N 3.44Å; I23-Q25 VanDerWaalsContact C-N 3.34Å; I23-Q25 PolarHBondContact O-N 2.89Å; Q25-A27 VanDerWaalsContact C-N 3.32Å; Q25-A27 PolarHBondContact O-N 3.48Å; Q25-L28 PolarHBondContact O-N 3.2Å; Q25-G29 PolarHBondContact O-N 3.37Å |
| 26 | A | 79.5 | Confident | 73.1 | Confident | 69 Ų | 69 | 97.2 Ų | 97.2 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -41 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | I22 I23 G29 S30 | I22-A26 PolarHBondContact O-N 3.37Å; I23-A26 PolarHBondContact O-N 3.4Å; A26-G29 PolarHBondContact O-N 2.83Å; A26-S30 PolarHBondContact O-N 3.35Å |
| 27 | A | 76.7 | Confident | 72.8 | Confident | 16 Ų | 16 | 93.2 Ų | 93.2 | 13% | 0.132 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -65.3 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112 | I23 N24 Q25 G29 S30 G37 I38 V40 | I23-A27 VanDerWaalsContact O-CB 3.23Å; I23-A27 WeakPolarHBondContact O-CB 3.23Å; I23-A27 PolarHBondContact O-N 3Å; N24-A27 PolarHBondContact O-N 3.38Å; Q25-A27 VanDerWaalsContact C-N 3.32Å; Q25-A27 PolarHBondContact O-N 3.48Å; A27-G29 VanDerWaalsContact C-N 3.34Å; A27-S30 WeakPolarHBondContact O-CB 3.26Å; A27-S30 PolarHBondContact O-N 3.04Å; A27-S30 PolarHBondContact O-OG 3.41Å; A27-G37 CarbonylContact O-C 3.55Å; A27-G37 WeakPolarHBondContact O-CA 3.47Å; A27-I38 CarbonylContact C-O 3.31Å; A27-I38 VanDerWaalsContact C-O 3.31Å; A27-I38 HydrophobicContact CB-CB 4.21Å; A27-I38 WeakPolarHBondContact CB-O 3.19Å; A27-I38 PolarHBondContact O-N 3.15Å; A27-V40 HydrophobicContact CB-CG2 3.69Å |
| 28 | L | 77.6 | Confident | 72.7 | Confident | 63 Ų | 63 | 87.5 Ų | 87.5 | 33% | 0.33 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.5 | -36.2 | 174.1 | -76.2 | 173.8 | 0 | 0 | 0 | 112.9 | N24 Q25 S30 G37 I38 R39 | N24-L28 WeakPolarHBondContact O-CB 3.22Å; N24-L28 WeakPolarHBondContact O-CG 3.01Å; N24-L28 PolarHBondContact O-N 2.72Å; Q25-L28 PolarHBondContact O-N 3.2Å; L28-S30 VanDerWaalsContact C-N 3.3Å; L28-G37 WeakPolarHBondContact O-CA 3.37Å; L28-G37 PolarHBondContact O-N 3.47Å; L28-I38 PolarHBondContact N-O 2.81Å; L28-R39 HydrophobicContact CD2-CG 3.77Å |
| 29 | G | 72.8 | Confident | 72.5 | Confident | 60 Ų | 60 | 89.4 Ų | 89.4 | 62% | 0.619 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.3 | -13.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | Q25 A26 A27 Q31 | Q25-G29 PolarHBondContact O-N 3.37Å; A26-G29 PolarHBondContact O-N 2.83Å; A27-G29 VanDerWaalsContact C-N 3.34Å; G29-Q31 PolarHBondContact O-N 3.29Å |
| 30 | S | 68.4 | Low | 72.5 | Confident | 37 Ų | 37 | 88.8 Ų | 88.8 | 26% | 0.259 | 49% | 0.493 | S | S | . | . | trans | -64.8 | 121.1 | 179.2 | 74 | 0 | 0 | 0 | 0 | 110.5 | A26 A27 L28 A32 | A26-S30 PolarHBondContact O-N 3.35Å; A27-S30 WeakPolarHBondContact O-CB 3.26Å; A27-S30 PolarHBondContact O-N 3.04Å; A27-S30 PolarHBondContact O-OG 3.41Å; L28-S30 VanDerWaalsContact C-N 3.3Å; S30-A32 PolarHBondContact O-N 3.03Å; S30-A32 VanDerWaalsContact O-N 3.16Å | ||
| 31 | Q | 64 | Low | 72.2 | Confident | 190 Ų | 190 | 96.6 Ų | 96.6 | 89% | 0.888 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | 2.3 | 176.4 | -65.1 | -167.5 | -31.4 | 0 | 0 | 113.1 | G29 Y33 | G29-Q31 PolarHBondContact O-N 3.29Å; Q31-Y33 PolarHBondContact O-N 3.2Å; Q31-Y33 VanDerWaalsContact O-N 3.1Å |
| 32 | A | 62.7 | Low | 71.7 | Confident | 78 Ų | 78 | 97.1 Ų | 97.1 | 65% | 0.645 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | S30 | S30-A32 PolarHBondContact O-N 3.03Å; S30-A32 VanDerWaalsContact O-N 3.16Å |
| 33 | Y | 55.6 | Low | 71.1 | Confident | 134 Ų | 134 | 99.7 Ų | 99.7 | 53% | 0.525 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -122.5 | 124.9 | 179.1 | -65.4 | -88.8 | 0 | 0 | 0 | 111.5 | Q31 Q35 I38 | Q31-Y33 PolarHBondContact O-N 3.2Å; Q31-Y33 VanDerWaalsContact O-N 3.1Å; Y33-Q35 PolarHBondContact O-N 2.88Å; Y33-I38 HydrophobicContact CD2-CD1 3.89Å; Y33-I38 HydrophobicContact CD2-CG1 3.39Å; Y33-I38 HydrophobicContact CE2-CD1 3.33Å; Y33-I38 HydrophobicContact CE2-CG1 3.33Å; Y33-I38 HydrophobicContact CG-CG1 4.4Å |
| 34 | P | 60.6 | Low | 70.5 | Confident | 131 Ų | 131 | 97.3 Ų | 97.3 | 85% | 0.851 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.7 | -15.6 | -176.1 | 24.9 | -32.6 | 0 | 0 | 0 | 114 | ||
| 35 | Q | 62.2 | Low | 69.8 | Low | 193 Ų | 193 | 102 Ų | 102 | 90% | 0.902 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | 18.8 | -172.3 | -67.2 | -177.7 | -7.8 | 0 | 0 | 113.8 | Y33 | Y33-Q35 PolarHBondContact O-N 2.88Š|
| 36 | G | 60.7 | Low | 69 | Low | 53 Ų | 53 | 98.9 Ų | 98.9 | 55% | 0.546 | 55% | 0.552 | S | S | . | * | S | Bend | trans | 93.2 | 139.8 | -166.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 37 | G | 66.8 | Low | 68.3 | Low | 14 Ų | 14 | 99.3 Ų | 99.3 | 14% | 0.144 | 55% | 0.548 | C | S | . | . | trans | -60.1 | -178 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A27 L28 R39 | A27-G37 CarbonylContact O-C 3.55Å; A27-G37 WeakPolarHBondContact O-CA 3.47Å; L28-G37 WeakPolarHBondContact O-CA 3.37Å; L28-G37 PolarHBondContact O-N 3.47Å; G37-R39 PolarHBondContact O-N 3.36Å | ||
| 38 | I | 74.9 | Confident | 68 | Low | 78 Ų | 78 | 103.4 Ų | 103.4 | 40% | 0.4 | 57% | 0.567 | S | S | . | * | P | Polyproline II helix | trans | -73.7 | 129 | -174.9 | -50.2 | 172.7 | 0 | 0 | 0 | 109.4 | A27 L28 Y33 | A27-I38 CarbonylContact C-O 3.31Å; A27-I38 VanDerWaalsContact C-O 3.31Å; A27-I38 HydrophobicContact CB-CB 4.21Å; A27-I38 WeakPolarHBondContact CB-O 3.19Å; A27-I38 PolarHBondContact O-N 3.15Å; L28-I38 PolarHBondContact N-O 2.81Å; Y33-I38 HydrophobicContact CD2-CD1 3.89Å; Y33-I38 HydrophobicContact CD2-CG1 3.39Å; Y33-I38 HydrophobicContact CE2-CD1 3.33Å; Y33-I38 HydrophobicContact CE2-CG1 3.33Å; Y33-I38 HydrophobicContact CG-CG1 4.4Å |
| 39 | R | 74.6 | Confident | 67.6 | Low | 203 Ų | 203 | 103.5 Ų | 103.5 | 77% | 0.766 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 121.7 | 168.8 | -70.4 | -179.2 | -175.9 | -179.9 | 2.4 | 109.7 | L28 G37 | L28-R39 HydrophobicContact CD2-CG 3.77Å; G37-R39 PolarHBondContact O-N 3.36Å |
| 40 | V | 75.2 | Confident | 67.8 | Low | 47 Ų | 47 | 103.8 Ų | 103.8 | 29% | 0.285 | 56% | 0.557 | S | S | . | * | P | Polyproline II helix | trans | -83.1 | 136.3 | 174.8 | -174.5 | 0 | 0 | 0 | 0 | 108.6 | F20 I23 N24 A27 | F20-V40 HydrophobicContact CD2-CG1 4.31Å; F20-V40 HydrophobicContact CE2-CB 4.31Å; F20-V40 HydrophobicContact CE2-CG1 3.7Å; F20-V40 HydrophobicContact CZ-CB 4.39Å; F20-V40 HydrophobicContact CZ-CG1 4.25Å; F20-V40 WeakPolarHBondContact CZ-O 3.22Å; I23-V40 HydrophobicContact CG2-CG2 4.2Å; N24-V40 HydrophobicContact CB-CB 4.21Å; N24-V40 HydrophobicContact CB-CG2 4.44Å; N24-V40 PolarHBondContact OD1-N 2.85Å; A27-V40 HydrophobicContact CB-CG2 3.69Å |
| 41 | R | 75.7 | Confident | 68.2 | Low | 206 Ų | 206 | 107.7 Ų | 107.7 | 78% | 0.777 | 57% | 0.571 | S | S | * | * | trans | -119.2 | 135.8 | 175 | -65.9 | -173.4 | 177.9 | -162.9 | 0.7 | 109 | ||||
| 42 | Q | 71.2 | Confident | 69 | Low | 104 Ų | 104 | 105.1 Ų | 105.1 | 49% | 0.486 | 56% | 0.559 | S | S | . | * | trans | -74.2 | 123.7 | 167.3 | -178.7 | -177.6 | 6 | 0 | 0 | 108.2 | F16 F20 D45 | F16-Q42 VanDerWaalsContact CE1-CD 3.44Å; F16-Q42 HydrophobicContact CE1-CG 4.1Å; F16-Q42 HydrophobicContact CZ-CB 4.38Å; F16-Q42 HydrophobicContact CZ-CG 3.84Å; F20-Q42 HydrophobicContact CE2-CB 4.03Å; F20-Q42 HydrophobicContact CZ-CB 4.5Å; Q42-D45 PolarHBondContact NE2-OD1 2.67Å | ||
| 43 | Q | 69.8 | Low | 69.6 | Low | 158 Ų | 158 | 110.7 Ų | 110.7 | 74% | 0.738 | 56% | 0.563 | S | S | * | * | trans | -115.1 | 97 | 173 | -74.2 | -167.3 | -13.2 | 0 | 0 | 109.3 | ||||
| 44 | G | 67.1 | Low | 70.9 | Confident | 48 Ų | 48 | 107.1 Ų | 107.1 | 50% | 0.495 | 55% | 0.553 | S | S | . | * | S | Bend | trans | 60.4 | -170.7 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 45 | D | 69.2 | Low | 72 | Confident | 129 Ų | 129 | 106.5 Ų | 106.5 | 69% | 0.69 | 55% | 0.549 | S | S | * | . | trans | -105.5 | 132.9 | 167.6 | -63.3 | -25.7 | 0 | 0 | 0 | 107.4 | Q42 S65 | Q42-D45 PolarHBondContact NE2-OD1 2.67Å; D45-S65 PolarHBondContact O-OG 2.99Å | ||
| 46 | A | 64.6 | Low | 72.8 | Confident | 66 Ų | 66 | 107.6 Ų | 107.6 | 55% | 0.545 | 55% | 0.546 | S | S | . | . | trans | -112.3 | 131 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109 | L62 | A46-L62 HydrophobicContact CB-CD2 4.11Š| ||
| 47 | T | 65 | Low | 73.5 | Confident | 78 Ų | 78 | 107.6 Ų | 107.6 | 48% | 0.479 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 118.9 | 171.3 | -54.1 | 0 | 0 | 0 | 0 | 108.3 | I49 D63 | T47-I49 HydrophobicContact CG2-CG1 4.05Å; T47-D63 PolarHBondContact O-N 3.38Å |
| 48 | L | 69.8 | Low | 74.1 | Confident | 101 Ų | 101 | 112.5 Ų | 112.5 | 53% | 0.529 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -88.8 | 119.4 | 169.5 | -172.8 | 96.1 | 0 | 0 | 0 | 108.5 | T50 W60 L62 | L48-T50 HydrophobicContact CD2-CG2 3.73Å; L48-T50 HydrophobicContact CG-CG2 4.25Å; L48-W60 HydrophobicContact CD1-CB 4.47Å; L48-W60 HydrophobicContact CD1-CD2 4.48Å; L48-W60 HydrophobicContact CD1-CE3 3.76Å; L48-W60 HydrophobicContact CD1-CZ3 4.45Å; L48-L62 HydrophobicContact CB-CD2 4.3Å; L48-L62 HydrophobicContact CD1-CD2 3.73Å; L48-L62 HydrophobicContact CD1-CG 4.35Å |
| 49 | I | 69.4 | Low | 74.3 | Confident | 65 Ų | 65 | 116 Ų | 116 | 33% | 0.333 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.6 | 134.4 | 173.9 | -58.5 | 164.4 | 0 | 0 | 0 | 107.4 | T47 W60 H61 | T47-I49 HydrophobicContact CG2-CG1 4.05Å; I49-W60 CarbonylContact O-C 3.49Å; I49-W60 VanDerWaalsContact O-CA 3.25Å; I49-W60 WeakPolarHBondContact O-CA 3.47Å; I49-H61 VanDerWaalsContact CB-CE1 3.45Å; I49-H61 WeakPolarHBondContact CB-CE1 3.31Å; I49-H61 WeakPolarHBondContact CB-NE2 3.19Å; I49-H61 WeakPolarHBondContact CD1-CE1 3.26Å; I49-H61 WeakPolarHBondContact CG2-NE2 3.28Å; I49-H61 PolarHBondContact N-O 3.13Å; I49-H61 PolarHBondContact O-CD2 2.56Å; I49-H61 PolarHBondContact O-N 3.04Å |
| 50 | T | 76 | Confident | 74.7 | Confident | 67 Ų | 67 | 113.1 Ų | 113.1 | 41% | 0.411 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -124.5 | 134.4 | -179.2 | 54 | 0 | 0 | 0 | 0 | 109.9 | L48 F58 Y59 W60 | L48-T50 HydrophobicContact CD2-CG2 3.73Å; L48-T50 HydrophobicContact CG-CG2 4.25Å; T50-F58 HydrophobicContact CG2-CD2 4.35Å; T50-Y59 CarbonylContact C-O 3.58Å; T50-Y59 VanDerWaalsContact CA-O 3.29Å; T50-Y59 WeakPolarHBondContact CA-O 3.07Å; T50-W60 HydrophobicContact CG2-CB 4.05Å |
| 51 | E | 78.4 | Confident | 74.8 | Confident | 119 Ų | 119 | 114.8 Ų | 114.8 | 56% | 0.556 | 56% | 0.559 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -126.5 | 116.1 | 178.4 | -66.9 | -173.4 | 176.1 | 0 | 0 | 109.3 | F58 Y59 | E51-F58 CarbonylContact O-C 3.58Å; E51-F58 VanDerWaalsContact O-CA 3.24Å; E51-F58 WeakPolarHBondContact O-CA 3.25Å; E51-Y59 PolarHBondContact N-O 3.01Å; E51-Y59 PolarHBondContact O-N 3.31Å |
| 52 | H | 78.9 | Confident | 74.5 | Confident | 136 Ų | 136 | 108.7 Ų | 108.7 | 63% | 0.63 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 131.5 | 178.6 | -72.6 | -99.9 | 0 | 0 | 0 | 111 | ||
| 53 | R | 75.7 | Confident | 74.4 | Confident | 194 Ų | 194 | 107.9 Ų | 107.9 | 73% | 0.732 | 54% | 0.54 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | -34.3 | 173 | -163.2 | -176.5 | -172.7 | -111.4 | 3 | 111.9 | S57 | R53-S57 PolarHBondContact N-O 2.86Å |
| 54 | D | 84.4 | Confident | 73.9 | Confident | 60 Ų | 60 | 108.2 Ų | 108.2 | 32% | 0.321 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 173.7 | 177.8 | 60 | 63.7 | 0 | 0 | 0 | 109.4 | Y56 S57 | D54-Y56 PolarHBondContact O-N 2.88Å; D54-Y56 PolarHBondContact OD1-N 3.02Å; D54-S57 PolarHBondContact O-N 3.33Å; D54-S57 VanDerWaalsContact O-O 3.07Å; D54-S57 VanDerWaalsContact OD1-CB 3.26Å; D54-S57 WeakPolarHBondContact OD1-CB 3.24Å; D54-S57 PolarHBondContact OD1-N 3.33Å; D54-S57 PolarHBondContact OD1-OG 2.88Å; D54-S57 WeakPolarHBondContact OD2-CB 3.29Å; D54-S57 PolarHBondContact OD2-OG 2.92Å |
| 55 | P | 82.6 | Confident | 73.2 | Confident | 117 Ų | 117 | 109.2 Ų | 109.2 | 76% | 0.76 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.4 | -16.1 | -175 | -26.3 | 36.3 | 0 | 0 | 0 | 115.5 | ||
| 56 | Y | 79.9 | Confident | 72.3 | Confident | 216 Ų | 216 | 106.2 Ų | 106.2 | 85% | 0.847 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.7 | -1.3 | -176.3 | -54.7 | -68.4 | 0 | 0 | 0 | 113 | D54 | D54-Y56 PolarHBondContact O-N 2.88Å; D54-Y56 PolarHBondContact OD1-N 3.02Å |
| 57 | S | 74.6 | Confident | 71.5 | Confident | 54 Ų | 54 | 111.3 Ų | 111.3 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 131.2 | -173.7 | -44.8 | 0 | 0 | 0 | 0 | 112.1 | R53 D54 | R53-S57 PolarHBondContact N-O 2.86Å; D54-S57 PolarHBondContact O-N 3.33Å; D54-S57 VanDerWaalsContact O-O 3.07Å; D54-S57 VanDerWaalsContact OD1-CB 3.26Å; D54-S57 WeakPolarHBondContact OD1-CB 3.24Å; D54-S57 PolarHBondContact OD1-N 3.33Å; D54-S57 PolarHBondContact OD1-OG 2.88Å; D54-S57 WeakPolarHBondContact OD2-CB 3.29Å; D54-S57 PolarHBondContact OD2-OG 2.92Å |
| 58 | F | 80.5 | Confident | 70.8 | Confident | 117 Ų | 117 | 118.6 Ų | 118.6 | 51% | 0.513 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -140.3 | 147.4 | 172.7 | 65.6 | -84.2 | 0 | 0 | 0 | 111.4 | T50 E51 W60 | T50-F58 HydrophobicContact CG2-CD2 4.35Å; E51-F58 CarbonylContact O-C 3.58Å; E51-F58 VanDerWaalsContact O-CA 3.24Å; E51-F58 WeakPolarHBondContact O-CA 3.25Å; F58-W60 HydrophobicContact CD2-CB 4.34Å; F58-W60 HydrophobicContact CE2-CB 4.28Å; F58-W60 AromaticContact CE2-CD1 3.98Å; F58-W60 HydrophobicContact CE2-CG 4.44Å |
| 59 | Y | 78.2 | Confident | 69.8 | Low | 152 Ų | 152 | 120.5 Ų | 120.5 | 60% | 0.596 | 57% | 0.567 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -90 | 147.3 | 164.2 | -64.6 | -70.8 | 0 | 0 | 0 | 109 | T50 E51 | T50-Y59 CarbonylContact C-O 3.58Å; T50-Y59 VanDerWaalsContact CA-O 3.29Å; T50-Y59 WeakPolarHBondContact CA-O 3.07Å; E51-Y59 PolarHBondContact N-O 3.01Å; E51-Y59 PolarHBondContact O-N 3.31Å |
| 60 | W | 82.8 | Confident | 68.8 | Low | 141 Ų | 141 | 123.7 Ų | 123.7 | 53% | 0.534 | 59% | 0.585 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -133.9 | 145.7 | 170.8 | 65.3 | -86.5 | 0 | 0 | 0 | 110 | L48 I49 T50 F58 L62 | L48-W60 HydrophobicContact CD1-CB 4.47Å; L48-W60 HydrophobicContact CD1-CD2 4.48Å; L48-W60 HydrophobicContact CD1-CE3 3.76Å; L48-W60 HydrophobicContact CD1-CZ3 4.45Å; I49-W60 CarbonylContact O-C 3.49Å; I49-W60 VanDerWaalsContact O-CA 3.25Å; I49-W60 WeakPolarHBondContact O-CA 3.47Å; T50-W60 HydrophobicContact CG2-CB 4.05Å; F58-W60 HydrophobicContact CD2-CB 4.34Å; F58-W60 HydrophobicContact CE2-CB 4.28Å; F58-W60 AromaticContact CE2-CD1 3.98Å; F58-W60 HydrophobicContact CE2-CG 4.44Å; W60-L62 HydrophobicContact CE3-CG 4.3Å; W60-L62 HydrophobicContact CZ3-CD1 3.86Å; W60-L62 HydrophobicContact CZ3-CG 3.85Å |
| 61 | H | 76.3 | Confident | 67.3 | Low | 82 Ų | 82 | 129 Ų | 129 | 38% | 0.38 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -139.6 | 143.7 | 173.8 | 58.3 | 117.8 | 0 | 0 | 0 | 110.7 | I49 | I49-H61 VanDerWaalsContact CB-CE1 3.45Å; I49-H61 WeakPolarHBondContact CB-CE1 3.31Å; I49-H61 WeakPolarHBondContact CB-NE2 3.19Å; I49-H61 WeakPolarHBondContact CD1-CE1 3.26Å; I49-H61 WeakPolarHBondContact CG2-NE2 3.28Å; I49-H61 PolarHBondContact N-O 3.13Å; I49-H61 PolarHBondContact O-CD2 2.56Å; I49-H61 PolarHBondContact O-N 3.04Å |
| 62 | L | 71.1 | Confident | 65.8 | Low | 79 Ų | 79 | 126.5 Ų | 126.5 | 41% | 0.414 | 61% | 0.606 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -96.4 | 122.5 | 171.4 | -69.7 | 167.8 | 0 | 0 | 0 | 108.3 | A46 L48 W60 K64 | A46-L62 HydrophobicContact CB-CD2 4.11Å; L48-L62 HydrophobicContact CB-CD2 4.3Å; L48-L62 HydrophobicContact CD1-CD2 3.73Å; L48-L62 HydrophobicContact CD1-CG 4.35Å; W60-L62 HydrophobicContact CE3-CG 4.3Å; W60-L62 HydrophobicContact CZ3-CD1 3.86Å; W60-L62 HydrophobicContact CZ3-CG 3.85Å; L62-K64 PolarHBondContact O-N 2.94Å; L62-K64 VanDerWaalsContact O-N 3.08Å |
| 63 | D | 67.4 | Low | 64.4 | Low | 87 Ų | 87 | 128.4 Ų | 128.4 | 47% | 0.465 | 61% | 0.613 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.3 | 107.1 | 165.2 | -166.6 | -2 | 0 | 0 | 0 | 107.6 | T47 S65 | T47-D63 PolarHBondContact O-N 3.38Å; D63-S65 PolarHBondContact O-N 3.26Å |
| 64 | K | 59.3 | Low | 63.3 | Low | 164 Ų | 164 | 127.3 Ų | 127.3 | 71% | 0.713 | 62% | 0.622 | S | S | * | * | trans | -76.3 | 61.2 | 175.5 | -65.6 | -175.9 | -177.7 | 179.7 | 0 | 108.7 | L62 S66 | L62-K64 PolarHBondContact O-N 2.94Å; L62-K64 VanDerWaalsContact O-N 3.08Å; K64-S66 PolarHBondContact O-N 3.02Å | ||
| 65 | S | 53 | Low | 61.8 | Low | 69 Ų | 69 | 131.7 Ų | 131.7 | 48% | 0.483 | 64% | 0.64 | S | S | . | * | trans | -74.7 | 36.5 | 163.7 | 61.6 | 0 | 0 | 0 | 0 | 110.9 | D45 D63 K67 | D45-S65 PolarHBondContact O-OG 2.99Å; D63-S65 PolarHBondContact O-N 3.26Å; S65-K67 PolarHBondContact O-N 3.04Å; S65-K67 VanDerWaalsContact O-N 3.08Å | ||
| 66 | S | 49.7 | Very low | 60.2 | Low | 67 Ų | 67 | 131.4 Ų | 131.4 | 47% | 0.469 | 64% | 0.638 | S | S | . | * | trans | -78.5 | 96.9 | 166.1 | -166.8 | 0 | 0 | 0 | 0 | 106.2 | K64 R68 | K64-S66 PolarHBondContact O-N 3.02Å; S66-R68 PolarHBondContact O-N 2.86Å | ||
| 67 | K | 49.3 | Very low | 58.8 | Low | 172 Ų | 172 | 125.4 Ų | 125.4 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | trans | -43.9 | 112.9 | 149.9 | -84.1 | 176.5 | 169.9 | 178.4 | 0 | 106.1 | S65 D69 | S65-K67 PolarHBondContact O-N 3.04Å; S65-K67 VanDerWaalsContact O-N 3.08Å; K67-D69 PolarHBondContact O-N 3.16Å | ||
| 68 | R | 49.1 | Very low | 57.4 | Low | 232 Ų | 232 | 133.2 Ų | 133.2 | 88% | 0.875 | 66% | 0.655 | S | S | * | * | trans | -68 | 80.7 | 172.4 | -71.8 | 174.4 | 170.5 | 161.7 | -6.4 | 106.3 | S66 D70 | S66-R68 PolarHBondContact O-N 2.86Å; R68-D70 PolarHBondContact O-N 2.79Å | ||
| 69 | D | 48.4 | Very low | 56.1 | Low | 141 Ų | 141 | 134.3 Ų | 134.3 | 75% | 0.754 | 67% | 0.666 | S | S | * | * | trans | -84.1 | 14.9 | 173.9 | -73.7 | -12 | 0 | 0 | 0 | 111.7 | K67 | K67-D69 PolarHBondContact O-N 3.16Š| ||
| 70 | D | 48.4 | Very low | 54.8 | Low | 132 Ų | 132 | 133.4 Ų | 133.4 | 71% | 0.706 | 67% | 0.672 | S | S | * | * | trans | -125.8 | 103.7 | 168.6 | -104.2 | -32 | 0 | 0 | 0 | 110.1 | R68 S72 | R68-D70 PolarHBondContact O-N 2.79Å; D70-S72 PolarHBondContact O-N 2.86Å | ||
| 71 | D | 44.7 | Very low | 53.1 | Low | 177 Ų | 177 | 133.4 Ų | 133.4 | 95% | 0.947 | 68% | 0.681 | S | S | * | * | trans | -61.8 | 46.6 | 168.3 | -82.1 | -45.6 | 0 | 0 | 0 | 112.8 | ||||
| 72 | S | 48.3 | Very low | 52 | Low | 67 Ų | 67 | 134.9 Ų | 134.9 | 47% | 0.469 | 70% | 0.695 | S | S | . | * | trans | -133.5 | 101.6 | -174.7 | 64.6 | 0 | 0 | 0 | 0 | 112.9 | D70 | D70-S72 PolarHBondContact O-N 2.86Š| ||
| 73 | F | 48.4 | Very low | 51.3 | Low | 176 Ų | 176 | 137.2 Ų | 137.2 | 77% | 0.772 | 70% | 0.704 | S | S | * | * | trans | 75.1 | 113.8 | 160 | -59.9 | -81.5 | 0 | 0 | 0 | 117.6 | Q75 | F73-Q75 PolarHBondContact O-N 3.46Š| ||
| 74 | D | 52.7 | Low | 50.6 | Low | 172 Ų | 172 | 139.8 Ų | 139.8 | 92% | 0.92 | 71% | 0.713 | S | S | * | * | trans | -43.6 | 57.3 | 155.2 | -161.5 | 22 | 0 | 0 | 0 | 113.5 | ||||
| 75 | Q | 52.1 | Low | 50.3 | Low | 151 Ų | 151 | 141.2 Ų | 141.2 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | trans | -80.8 | 126.9 | 171.5 | -91.8 | 163.1 | 53.7 | 0 | 0 | 108 | F73 A77 | F73-Q75 PolarHBondContact O-N 3.46Å; Q75-A77 PolarHBondContact O-N 2.94Å | ||
| 76 | P | 50.3 | Low | 50.1 | Low | 111 Ų | 111 | 146.4 Ų | 146.4 | 72% | 0.721 | 73% | 0.726 | S | S | * | * | trans | -56.7 | 142.9 | 175.7 | 23.6 | -32 | 0 | 0 | 0 | 108.9 | R78 | P76-R78 PolarHBondContact O-N 3.25Š| ||
| 77 | A | 49.1 | Very low | 50.6 | Low | 91 Ų | 91 | 147.9 Ų | 147.9 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | trans | -50.2 | 106.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | Q75 D79 | Q75-A77 PolarHBondContact O-N 2.94Å; A77-D79 PolarHBondContact O-N 3.33Å | ||
| 78 | R | 45.8 | Very low | 50.9 | Low | 218 Ų | 218 | 145.4 Ų | 145.4 | 82% | 0.823 | 74% | 0.742 | S | S | * | * | trans | -71.6 | 119.7 | 168.7 | -87.7 | -176.6 | 167.4 | -178.2 | -3.7 | 106.5 | P76 N80 | P76-R78 PolarHBondContact O-N 3.25Å; R78-N80 PolarHBondContact O-N 2.84Å | ||
| 79 | D | 53 | Low | 51.1 | Low | 139 Ų | 139 | 136.7 Ų | 136.7 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | -62 | 121.4 | 165.1 | -66.7 | -33.3 | 0 | 0 | 0 | 107.1 | A77 I81 | A77-D79 PolarHBondContact O-N 3.33Å; D79-I81 HydrophobicContact CB-CG1 4.43Å; D79-I81 PolarHBondContact O-N 2.94Å | ||
| 80 | N | 52.2 | Low | 51.4 | Low | 133 Ų | 133 | 137.3 Ų | 137.3 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | -72.4 | 84 | 176 | -71.3 | -25.2 | 0 | 0 | 0 | 107.9 | R78 V82 | R78-N80 PolarHBondContact O-N 2.84Å; N80-V82 PolarHBondContact O-N 2.95Å | ||
| 81 | I | 47 | Very low | 51.7 | Low | 141 Ų | 141 | 140.2 Ų | 140.2 | 72% | 0.723 | 73% | 0.734 | S | S | * | * | trans | -75.8 | 112.6 | 172.8 | -58.5 | 173.5 | 0 | 0 | 0 | 107 | D79 E83 | D79-I81 HydrophobicContact CB-CG1 4.43Å; D79-I81 PolarHBondContact O-N 2.94Å; I81-E83 HydrophobicContact CG2-CG 4.48Å | ||
| 82 | V | 51.5 | Low | 51.6 | Low | 114 Ų | 114 | 140 Ų | 140 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | trans | -85.2 | 109.9 | 168.5 | 179.6 | 0 | 0 | 0 | 0 | 106.7 | N80 E84 | N80-V82 PolarHBondContact O-N 2.95Å; V82-E84 PolarHBondContact O-N 3.46Å | ||
| 83 | E | 56.5 | Low | 51.8 | Low | 128 Ų | 128 | 143.7 Ų | 143.7 | 60% | 0.598 | 77% | 0.771 | S | S | * | * | trans | -75.8 | 114.4 | 170 | -68.1 | -175.5 | 175.5 | 0 | 0 | 108.6 | I81 Y85 | I81-E83 HydrophobicContact CG2-CG 4.48Å; E83-Y85 HydrophobicContact CB-CE2 3.9Å; E83-Y85 WeakPolarHBondContact O-CD2 3.45Å; E83-Y85 PolarHBondContact O-N 2.69Å; E83-Y85 PolarHBondContact OE2-OH 3.39Å | ||
| 84 | E | 53.4 | Low | 52 | Low | 141 Ų | 141 | 142 Ų | 142 | 66% | 0.659 | 77% | 0.771 | S | S | * | * | trans | -72.3 | 106 | 169.6 | -71.3 | -179.4 | -175.9 | 0 | 0 | 109 | V82 Y86 | V82-E84 PolarHBondContact O-N 3.46Å; E84-Y86 HydrophobicContact CB-CE2 4.04Å; E84-Y86 PolarHBondContact O-N 2.84Å; E84-Y86 PolarHBondContact OE2-OH 2.79Å | ||
| 85 | Y | 52.9 | Low | 51.9 | Low | 193 Ų | 193 | 140.3 Ų | 140.3 | 76% | 0.757 | 76% | 0.763 | S | S | * | * | trans | -80 | 95.9 | 168 | -65.3 | -85.6 | 0 | 0 | 0 | 108.2 | E83 A87 | E83-Y85 HydrophobicContact CB-CE2 3.9Å; E83-Y85 WeakPolarHBondContact O-CD2 3.45Å; E83-Y85 PolarHBondContact O-N 2.69Å; E83-Y85 PolarHBondContact OE2-OH 3.39Å; Y85-A87 PolarHBondContact O-N 3.37Å | ||
| 86 | Y | 49.4 | Very low | 51.9 | Low | 178 Ų | 178 | 139.7 Ų | 139.7 | 70% | 0.698 | 77% | 0.766 | S | S | * | * | trans | -60.4 | 120.5 | 161.2 | -65.9 | -85.3 | 0 | 0 | 0 | 106.7 | E84 T88 | E84-Y86 HydrophobicContact CB-CE2 4.04Å; E84-Y86 PolarHBondContact O-N 2.84Å; E84-Y86 PolarHBondContact OE2-OH 2.79Å; Y86-T88 PolarHBondContact O-N 3.08Å | ||
| 87 | A | 59.4 | Low | 52 | Low | 98 Ų | 98 | 141.5 Ų | 141.5 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | -59.9 | 95.3 | 163.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | Y85 G89 | Y85-A87 PolarHBondContact O-N 3.37Å; A87-G89 PolarHBondContact O-N 2.86Å | ||
| 88 | T | 56.8 | Low | 52.2 | Low | 121 Ų | 121 | 144.9 Ų | 144.9 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | -60.5 | 94.3 | 158.9 | 34.9 | 0 | 0 | 0 | 0 | 104.2 | Y86 D90 | Y86-T88 PolarHBondContact O-N 3.08Å; T88-D90 PolarHBondContact O-N 2.93Å | ||
| 89 | G | 52.2 | Low | 52.7 | Low | 48 Ų | 48 | 139.6 Ų | 139.6 | 50% | 0.495 | 77% | 0.767 | S | S | . | * | trans | -65 | 84.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 108.4 | A87 F91 | A87-G89 PolarHBondContact O-N 2.86Å; G89-F91 PolarHBondContact O-N 3.08Å | ||
| 90 | D | 54.5 | Low | 52.7 | Low | 154 Ų | 154 | 139.7 Ų | 139.7 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | trans | -71.1 | 69.2 | 151.7 | -66.5 | -18.6 | 0 | 0 | 0 | 106 | T88 A92 | T88-D90 PolarHBondContact O-N 2.93Å; D90-A92 PolarHBondContact O-N 2.96Å; D90-A92 VanDerWaalsContact O-N 3.13Å | ||
| 91 | F | 56.3 | Low | 52.7 | Low | 194 Ų | 194 | 140.3 Ų | 140.3 | 85% | 0.851 | 77% | 0.773 | S | S | * | * | trans | -69 | 105.3 | 160.5 | -75.2 | -84.1 | 0 | 0 | 0 | 105.5 | G89 | G89-F91 PolarHBondContact O-N 3.08Š| ||
| 92 | A | 42.8 | Very low | 53.2 | Low | 173 Ų | 173 | 140.2 Ų | 140.2 | 100% | 1.43 | 78% | 0.778 | S | S | * | * | trans | -51.3 | 0 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | D90 | D90-A92 PolarHBondContact O-N 2.96Å; D90-A92 VanDerWaalsContact O-N 3.13Å |
Retrieved 92 of 92 residues in 228.5 ms
(Link to these results)