| 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 | 58.6 | Low | 85.1 | Confident | 244 Ų | 244 | 109.9 Ų | 109.9 | 100% | 1.202 | 62% | 0.623 | S | S | * | * | 0 | 116.5 | 0 | -164.7 | 169 | -166.6 | 0 | 0 | 106 | |||||
| 2 | E | 66.1 | Low | 85.6 | Confident | 181 Ų | 181 | 116.7 Ų | 116.7 | 85% | 0.846 | 63% | 0.631 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 142.1 | 179 | -75.9 | -166.8 | 143.8 | 0 | 0 | 110.5 | T4 | E2-T4 PolarHBondContact O-N 3.06Š|
| 3 | P | 79.9 | Confident | 85.8 | Confident | 88 Ų | 88 | 116.1 Ų | 116.1 | 57% | 0.571 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 130.5 | 179.2 | 26.7 | -32.5 | 0 | 0 | 0 | 110.3 | M8 | P3-M8 HydrophobicContact CB-CG 4Å; P3-M8 HydrophobicContact CB-SD 3.75Å; P3-M8 HydrophobicContact CG-CG 4.08Å; P3-M8 HydrophobicContact CG-SD 3.59Å; P3-M8 VanDerWaalsContact CG-SD 3.59Å |
| 4 | T | 92.8 | Very high | 85.9 | Confident | 100 Ų | 100 | 117.3 Ų | 117.3 | 61% | 0.613 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 145.6 | 175.8 | -41.9 | 0 | 0 | 0 | 0 | 110.3 | E2 S6 G7 M8 | E2-T4 PolarHBondContact O-N 3.06Å; T4-S6 PolarHBondContact O-N 3.13Å; T4-S6 VanDerWaalsContact O-N 3.17Å; T4-G7 WeakPolarHBondContact O-CA 3.36Å; T4-G7 PolarHBondContact O-N 2.88Å; T4-M8 PolarHBondContact O-N 3.34Å |
| 5 | A | 91.1 | Very high | 86 | Confident | 84 Ų | 84 | 115.2 Ų | 115.2 | 69% | 0.694 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -53.2 | -37.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | M8 F9 | A5-M8 PolarHBondContact O-N 2.79Å; A5-F9 PolarHBondContact O-N 2.95Å |
| 6 | S | 93.1 | Very high | 86.3 | Confident | 77 Ų | 77 | 117.4 Ų | 117.4 | 54% | 0.538 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -64.9 | -39.4 | 173.6 | 53.6 | 0 | 0 | 0 | 0 | 112.8 | T4 F9 C10 | T4-S6 PolarHBondContact O-N 3.13Å; T4-S6 VanDerWaalsContact O-N 3.17Å; S6-F9 PolarHBondContact O-N 3.3Å; S6-C10 PolarHBondContact O-N 2.91Å; S6-C10 PolarHBondContact O-SG 3.1Å; S6-C10 VanDerWaalsContact O-SG 3.33Å |
| 7 | G | 91.6 | Very high | 86.6 | Confident | 28 Ų | 28 | 116.3 Ų | 116.3 | 29% | 0.289 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -64.1 | -40.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | T4 N11 | T4-G7 WeakPolarHBondContact O-CA 3.36Å; T4-G7 PolarHBondContact O-N 2.88Å; G7-N11 WeakPolarHBondContact O-CB 3.44Å; G7-N11 VanDerWaalsContact O-CG 3.28Å; G7-N11 PolarHBondContact O-N 3.03Å; G7-N11 PolarHBondContact O-ND2 2.81Å; G7-N11 VanDerWaalsContact O-ND2 3.08Å |
| 8 | M | 91.3 | Very high | 86.9 | Confident | 108 Ų | 108 | 114.1 Ų | 114.1 | 53% | 0.532 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -64.4 | -41.9 | 175.1 | -66.9 | -63.9 | -74.2 | 0 | 0 | 112.1 | P3 T4 A5 R12 | P3-M8 HydrophobicContact CB-CG 4Å; P3-M8 HydrophobicContact CB-SD 3.75Å; P3-M8 HydrophobicContact CG-CG 4.08Å; P3-M8 HydrophobicContact CG-SD 3.59Å; P3-M8 VanDerWaalsContact CG-SD 3.59Å; T4-M8 PolarHBondContact O-N 3.34Å; A5-M8 PolarHBondContact O-N 2.79Å; M8-R12 WeakPolarHBondContact O-CB 3.32Å; M8-R12 PolarHBondContact O-N 3.29Å |
| 9 | F | 91.8 | Very high | 87.1 | Confident | 133 Ų | 133 | 111.5 Ų | 111.5 | 58% | 0.583 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.9 | -49 | 175.6 | 175.3 | -99.6 | 0 | 0 | 0 | 112.3 | A5 S6 N11 R12 M13 | A5-F9 PolarHBondContact O-N 2.95Å; S6-F9 PolarHBondContact O-N 3.3Å; F9-N11 PolarHBondContact O-N 3.4Å; F9-R12 WeakPolarHBondContact O-CB 3.36Å; F9-R12 PolarHBondContact O-N 2.93Å; F9-M13 HydrophobicContact CD1-SD 4.21Å; F9-M13 HydrophobicContact CE1-CG 4.24Å; F9-M13 HydrophobicContact CE1-SD 3.36Å; F9-M13 WeakPolarHBondContact CE1-SD 3.41Å; F9-M13 HydrophobicContact CE2-CG 4.44Å; F9-M13 HydrophobicContact CE2-SD 4.27Å; F9-M13 HydrophobicContact CZ-CG 4.11Å; F9-M13 HydrophobicContact CZ-SD 3.39Å; F9-M13 WeakPolarHBondContact CZ-SD 3.4Å; F9-M13 PolarHBondContact O-N 3.24Å |
| 10 | C | 91.4 | Very high | 87.5 | Confident | 65 Ų | 65 | 113.3 Ų | 113.3 | 44% | 0.439 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61.4 | -42.7 | 177.3 | -69.4 | 0 | 0 | 0 | 0 | 112 | S6 R12 M13 L14 | S6-C10 PolarHBondContact O-N 2.91Å; S6-C10 PolarHBondContact O-SG 3.1Å; S6-C10 VanDerWaalsContact O-SG 3.33Å; C10-R12 VanDerWaalsContact C-N 3.34Å; C10-R12 PolarHBondContact O-N 3.07Å; C10-M13 PolarHBondContact O-N 3.36Å; C10-L14 WeakPolarHBondContact O-CB 3.27Å; C10-L14 VanDerWaalsContact O-CG 3.31Å; C10-L14 WeakPolarHBondContact O-CG 3.42Å; C10-L14 PolarHBondContact O-N 3.28Å |
| 11 | N | 88.7 | Confident | 87.9 | Confident | 101 Ų | 101 | 112.3 Ų | 112.3 | 54% | 0.54 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -62.4 | -41.2 | 176 | -78.7 | -35.9 | 0 | 0 | 0 | 111.9 | G7 F9 L14 S15 | G7-N11 WeakPolarHBondContact O-CB 3.44Å; G7-N11 VanDerWaalsContact O-CG 3.28Å; G7-N11 PolarHBondContact O-N 3.03Å; G7-N11 PolarHBondContact O-ND2 2.81Å; G7-N11 VanDerWaalsContact O-ND2 3.08Å; F9-N11 PolarHBondContact O-N 3.4Å; N11-L14 PolarHBondContact O-N 2.97Å; N11-S15 WeakPolarHBondContact O-CB 3.13Å; N11-S15 PolarHBondContact O-N 3.38Å; N11-S15 PolarHBondContact O-OG 2.97Å |
| 12 | R | 90.4 | Very high | 89.7 | Confident | 191 Ų | 191 | 103.8 Ų | 103.8 | 72% | 0.721 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -59.4 | -49.3 | 174.7 | -163 | 93.7 | 178.2 | -170.5 | 2.4 | 110.3 | M8 F9 C10 L14 S15 M16 | M8-R12 WeakPolarHBondContact O-CB 3.32Å; M8-R12 PolarHBondContact O-N 3.29Å; F9-R12 WeakPolarHBondContact O-CB 3.36Å; F9-R12 PolarHBondContact O-N 2.93Å; C10-R12 VanDerWaalsContact C-N 3.34Å; C10-R12 PolarHBondContact O-N 3.07Å; R12-L14 PolarHBondContact O-N 2.96Å; R12-S15 PolarHBondContact O-N 3.46Å; R12-S15 PolarHBondContact O-OG 3.37Å; R12-M16 WeakPolarHBondContact O-CG 3.46Å; R12-M16 PolarHBondContact O-N 3.27Å |
| 13 | M | 88.3 | Confident | 91.2 | Very high | 109 Ų | 109 | 99.2 Ų | 99.2 | 54% | 0.537 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -60.4 | -43.3 | 178.1 | -78.6 | -169.3 | 65 | 0 | 0 | 113 | F9 C10 S15 M16 | F9-M13 HydrophobicContact CD1-SD 4.21Å; F9-M13 HydrophobicContact CE1-CG 4.24Å; F9-M13 HydrophobicContact CE1-SD 3.36Å; F9-M13 WeakPolarHBondContact CE1-SD 3.41Å; F9-M13 HydrophobicContact CE2-CG 4.44Å; F9-M13 HydrophobicContact CE2-SD 4.27Å; F9-M13 HydrophobicContact CZ-CG 4.11Å; F9-M13 HydrophobicContact CZ-SD 3.39Å; F9-M13 WeakPolarHBondContact CZ-SD 3.4Å; F9-M13 PolarHBondContact O-N 3.24Å; C10-M13 PolarHBondContact O-N 3.36Å; M13-S15 VanDerWaalsContact C-N 3.31Å; M13-S15 PolarHBondContact O-N 2.99Å; M13-M16 WeakPolarHBondContact O-CB 3.39Å; M13-M16 PolarHBondContact O-N 3.34Å |
| 14 | L | 87.1 | Confident | 92 | Very high | 133 Ų | 133 | 97.6 Ų | 97.6 | 70% | 0.696 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -66.6 | -33.4 | 177.9 | -70.2 | 169.7 | 0 | 0 | 0 | 112.1 | C10 N11 R12 M16 | C10-L14 WeakPolarHBondContact O-CB 3.27Å; C10-L14 VanDerWaalsContact O-CG 3.31Å; C10-L14 WeakPolarHBondContact O-CG 3.42Å; C10-L14 PolarHBondContact O-N 3.28Å; N11-L14 PolarHBondContact O-N 2.97Å; R12-L14 PolarHBondContact O-N 2.96Å; L14-M16 VanDerWaalsContact C-N 3.3Å; L14-M16 PolarHBondContact O-N 3.26Å |
| 15 | S | 87.6 | Confident | 92.3 | Very high | 86 Ų | 86 | 97.5 Ų | 97.5 | 60% | 0.601 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -76.9 | -11.4 | 177.5 | 71.1 | 0 | 0 | 0 | 0 | 114.6 | N11 R12 M13 V17 | N11-S15 WeakPolarHBondContact O-CB 3.13Å; N11-S15 PolarHBondContact O-N 3.38Å; N11-S15 PolarHBondContact O-OG 2.97Å; R12-S15 PolarHBondContact O-N 3.46Å; R12-S15 PolarHBondContact O-OG 3.37Å; M13-S15 VanDerWaalsContact C-N 3.31Å; M13-S15 PolarHBondContact O-N 2.99Å; S15-V17 PolarHBondContact O-N 3.29Å |
| 16 | M | 90.9 | Very high | 92.6 | Very high | 151 Ų | 151 | 96.4 Ų | 96.4 | 74% | 0.744 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -20 | 178.5 | -73.4 | 175.3 | 66.6 | 0 | 0 | 112.8 | R12 M13 L14 | R12-M16 WeakPolarHBondContact O-CG 3.46Å; R12-M16 PolarHBondContact O-N 3.27Å; M13-M16 WeakPolarHBondContact O-CB 3.39Å; M13-M16 PolarHBondContact O-N 3.34Å; L14-M16 VanDerWaalsContact C-N 3.3Å; L14-M16 PolarHBondContact O-N 3.26Å |
| 17 | V | 90.8 | Very high | 92.9 | Very high | 98 Ų | 98 | 99.1 Ų | 99.1 | 59% | 0.594 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -102.4 | 119.4 | 174.8 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | S15 A19 V22 | S15-V17 PolarHBondContact O-N 3.29Å; V17-A19 PolarHBondContact O-N 2.97Å; V17-V22 HydrophobicContact CG1-CG2 3.77Å |
| 18 | N | 92.6 | Very high | 93.2 | Very high | 76 Ų | 76 | 100.4 Ų | 100.4 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | trans | -76.6 | 106.9 | 174.3 | -172.6 | -8.4 | 0 | 0 | 0 | 109.7 | E20 D21 V22 | N18-E20 PolarHBondContact O-N 2.94Å; N18-E20 VanDerWaalsContact OD1-CB 3.27Å; N18-E20 WeakPolarHBondContact OD1-CB 3.29Å; N18-E20 PolarHBondContact OD1-N 3.43Å; N18-D21 HydrophobicContact CB-CB 4.13Å; N18-D21 VanDerWaalsContact CB-OD2 3.29Å; N18-D21 WeakPolarHBondContact CB-OD2 3.4Å; N18-D21 VanDerWaalsContact ND2-CG 3.29Å; N18-D21 PolarHBondContact ND2-OD2 3.01Å; N18-D21 PolarHBondContact O-N 3.32Å; N18-V22 WeakPolarHBondContact O-CG2 3.44Å; N18-V22 PolarHBondContact O-N 3.35Å; N18-V22 VanDerWaalsContact O-N 3.16Å | ||
| 19 | A | 90.6 | Very high | 93.6 | Very high | 65 Ų | 65 | 101.1 Ų | 101.1 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -27 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | V17 N23 | V17-A19 PolarHBondContact O-N 2.97Å; A19-N23 WeakPolarHBondContact O-CB 3.23Å; A19-N23 PolarHBondContact O-N 3.15Å; A19-N23 PolarHBondContact O-ND2 3.48Å |
| 20 | E | 95 | Very high | 93.9 | Very high | 148 Ų | 148 | 103.4 Ų | 103.4 | 69% | 0.692 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -68.5 | -48.3 | 177 | -170 | 173.1 | -173.3 | 0 | 0 | 110.9 | N18 V22 N23 A24 | N18-E20 PolarHBondContact O-N 2.94Å; N18-E20 VanDerWaalsContact OD1-CB 3.27Å; N18-E20 WeakPolarHBondContact OD1-CB 3.29Å; N18-E20 PolarHBondContact OD1-N 3.43Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-V22 PolarHBondContact O-N 2.9Å; E20-N23 PolarHBondContact O-N 3.1Å; E20-A24 WeakPolarHBondContact O-CB 3.35Å; E20-A24 PolarHBondContact O-N 3.04Å |
| 21 | D | 95.9 | Very high | 94.2 | Very high | 92 Ų | 92 | 105.1 Ų | 105.1 | 49% | 0.492 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.3 | -41.4 | 178 | -64.8 | -28 | 0 | 0 | 0 | 111.5 | N18 N23 A24 I25 | N18-D21 HydrophobicContact CB-CB 4.13Å; N18-D21 VanDerWaalsContact CB-OD2 3.29Å; N18-D21 WeakPolarHBondContact CB-OD2 3.4Å; N18-D21 VanDerWaalsContact ND2-CG 3.29Å; N18-D21 PolarHBondContact ND2-OD2 3.01Å; N18-D21 PolarHBondContact O-N 3.32Å; D21-N23 PolarHBondContact O-N 2.99Å; D21-A24 PolarHBondContact O-N 2.86Å; D21-I25 VanDerWaalsContact O-CG1 3.3Å; D21-I25 WeakPolarHBondContact O-CG1 3.37Å; D21-I25 PolarHBondContact O-N 2.94Å |
| 22 | V | 96.3 | Very high | 94.7 | Very high | 65 Ų | 65 | 105.3 Ų | 105.3 | 39% | 0.394 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.6 | 174 | 0 | 0 | 0 | 0 | 110.9 | V17 N18 E20 I25 I26 | V17-V22 HydrophobicContact CG1-CG2 3.77Å; N18-V22 WeakPolarHBondContact O-CG2 3.44Å; N18-V22 PolarHBondContact O-N 3.35Å; N18-V22 VanDerWaalsContact O-N 3.16Å; E20-V22 VanDerWaalsContact C-N 3.34Å; E20-V22 PolarHBondContact O-N 2.9Å; V22-I25 PolarHBondContact O-N 3.26Å; V22-I26 HydrophobicContact CG1-CD1 3.98Å; V22-I26 VanDerWaalsContact O-CG1 3.29Å; V22-I26 WeakPolarHBondContact O-CG1 3.46Å; V22-I26 PolarHBondContact O-N 3.46Å |
| 23 | N | 97.1 | Very high | 95.1 | Very high | 86 Ų | 86 | 100.9 Ų | 100.9 | 46% | 0.46 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.6 | -36.3 | 176.6 | -80.9 | -57.4 | 0 | 0 | 0 | 112.4 | A19 E20 D21 I26 Q27 | A19-N23 WeakPolarHBondContact O-CB 3.23Å; A19-N23 PolarHBondContact O-N 3.15Å; A19-N23 PolarHBondContact O-ND2 3.48Å; E20-N23 PolarHBondContact O-N 3.1Å; D21-N23 PolarHBondContact O-N 2.99Å; N23-I26 PolarHBondContact O-N 3.39Å; N23-Q27 WeakPolarHBondContact O-CG 3.43Å; N23-Q27 PolarHBondContact O-N 3.32Å |
| 24 | A | 98.1 | Very high | 95.6 | Very high | 54 Ų | 54 | 98.6 Ų | 98.6 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.9 | -42.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E20 D21 Q27 A28 | E20-A24 WeakPolarHBondContact O-CB 3.35Å; E20-A24 PolarHBondContact O-N 3.04Å; D21-A24 PolarHBondContact O-N 2.86Å; A24-Q27 PolarHBondContact O-N 3.03Å; A24-A28 WeakPolarHBondContact O-CB 3.45Å; A24-A28 PolarHBondContact O-N 3.44Å |
| 25 | I | 98.1 | Very high | 96.1 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61 | -47.3 | 174.3 | -68.2 | 165 | 0 | 0 | 0 | 110.7 | D21 V22 Q27 A28 Q29 | D21-I25 VanDerWaalsContact O-CG1 3.3Å; D21-I25 WeakPolarHBondContact O-CG1 3.37Å; D21-I25 PolarHBondContact O-N 2.94Å; V22-I25 PolarHBondContact O-N 3.26Å; I25-Q27 VanDerWaalsContact C-N 3.31Å; I25-Q27 PolarHBondContact O-N 3.22Å; I25-A28 PolarHBondContact O-N 2.87Å; I25-Q29 HydrophobicContact CG2-CG 4.38Å; I25-Q29 WeakPolarHBondContact O-CB 3.44Å; I25-Q29 WeakPolarHBondContact O-CG 3.3Å; I25-Q29 PolarHBondContact O-N 2.88Å |
| 26 | I | 98.2 | Very high | 96.7 | Very high | 61 Ų | 61 | 101.5 Ų | 101.5 | 31% | 0.313 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.4 | -43.8 | 178.9 | -68.6 | 165.2 | 0 | 0 | 0 | 110.7 | V22 N23 Q29 R30 | V22-I26 HydrophobicContact CG1-CD1 3.98Å; V22-I26 VanDerWaalsContact O-CG1 3.29Å; V22-I26 WeakPolarHBondContact O-CG1 3.46Å; V22-I26 PolarHBondContact O-N 3.46Å; N23-I26 PolarHBondContact O-N 3.39Å; I26-Q29 PolarHBondContact O-N 3.28Å; I26-R30 WeakPolarHBondContact O-CG 3.41Å; I26-R30 PolarHBondContact O-N 3.29Å |
| 27 | Q | 98.6 | Very high | 97 | Very high | 134 Ų | 134 | 99.8 Ų | 99.8 | 63% | 0.626 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -44 | 177.7 | -73.6 | 179.4 | 53.9 | 0 | 0 | 112 | N23 A24 I25 Q29 R30 H31 | N23-Q27 WeakPolarHBondContact O-CG 3.43Å; N23-Q27 PolarHBondContact O-N 3.32Å; A24-Q27 PolarHBondContact O-N 3.03Å; I25-Q27 VanDerWaalsContact C-N 3.31Å; I25-Q27 PolarHBondContact O-N 3.22Å; Q27-Q29 VanDerWaalsContact C-N 3.33Å; Q27-Q29 PolarHBondContact O-N 2.92Å; Q27-R30 PolarHBondContact O-N 2.96Å; Q27-H31 WeakPolarHBondContact O-CB 3.44Å; Q27-H31 PolarHBondContact O-N 3.29Å |
| 28 | A | 98.6 | Very high | 97.4 | Very high | 56 Ų | 56 | 100.2 Ų | 100.2 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -42.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A24 I25 H31 M32 | A24-A28 WeakPolarHBondContact O-CB 3.45Å; A24-A28 PolarHBondContact O-N 3.44Å; I25-A28 PolarHBondContact O-N 2.87Å; A28-H31 PolarHBondContact O-N 2.95Å; A28-M32 WeakPolarHBondContact O-CB 3.47Å; A28-M32 PolarHBondContact O-N 2.97Å |
| 29 | Q | 98.7 | Very high | 97.7 | Very high | 123 Ų | 123 | 99.9 Ų | 99.9 | 58% | 0.575 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 177 | -73.3 | 176.7 | -19.5 | 0 | 0 | 112.2 | I25 I26 Q27 M32 L33 | I25-Q29 HydrophobicContact CG2-CG 4.38Å; I25-Q29 WeakPolarHBondContact O-CB 3.44Å; I25-Q29 WeakPolarHBondContact O-CG 3.3Å; I25-Q29 PolarHBondContact O-N 2.88Å; I26-Q29 PolarHBondContact O-N 3.28Å; Q27-Q29 VanDerWaalsContact C-N 3.33Å; Q27-Q29 PolarHBondContact O-N 2.92Å; Q29-M32 PolarHBondContact O-N 3.19Å; Q29-L33 PolarHBondContact O-N 3.33Å |
| 30 | R | 98.6 | Very high | 98.1 | Very high | 180 Ų | 180 | 101.3 Ų | 101.3 | 68% | 0.679 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.4 | -44.4 | 176 | -75.3 | 176.8 | 177.7 | -174.8 | 0 | 112.2 | I26 Q27 M32 L33 D34 | I26-R30 WeakPolarHBondContact O-CG 3.41Å; I26-R30 PolarHBondContact O-N 3.29Å; Q27-R30 PolarHBondContact O-N 2.96Å; R30-M32 VanDerWaalsContact C-N 3.31Å; R30-M32 PolarHBondContact O-N 3.39Å; R30-L33 PolarHBondContact O-N 3.31Å; R30-D34 PolarHBondContact O-N 3.13Å |
| 31 | H | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 100.9 Ų | 100.9 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63 | -39.4 | 175.8 | 170.7 | -101.6 | 0 | 0 | 0 | 111.4 | Q27 A28 R35 | Q27-H31 WeakPolarHBondContact O-CB 3.44Å; Q27-H31 PolarHBondContact O-N 3.29Å; A28-H31 PolarHBondContact O-N 2.95Å; H31-R35 PolarHBondContact CE1-NH1 3.47Å; H31-R35 PolarHBondContact NE2-NH1 3.03Å; H31-R35 WeakPolarHBondContact O-CG 3.37Å; H31-R35 PolarHBondContact O-N 3.08Å; H31-R35 VanDerWaalsContact O-N 3.15Å |
| 32 | M | 98.8 | Very high | 98.4 | Very high | 105 Ų | 105 | 102.6 Ų | 102.6 | 52% | 0.517 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.3 | -42.4 | 175.7 | -165.5 | -174.6 | -65.4 | 0 | 0 | 111.9 | A28 Q29 R30 R35 F36 | A28-M32 WeakPolarHBondContact O-CB 3.47Å; A28-M32 PolarHBondContact O-N 2.97Å; Q29-M32 PolarHBondContact O-N 3.19Å; R30-M32 VanDerWaalsContact C-N 3.31Å; R30-M32 PolarHBondContact O-N 3.39Å; M32-R35 PolarHBondContact O-N 3.14Å; M32-F36 HydrophobicContact CB-CE2 4.48Å; M32-F36 HydrophobicContact CG-CD2 3.96Å; M32-F36 HydrophobicContact CG-CE2 3.35Å; M32-F36 HydrophobicContact CG-CZ 3.79Å; M32-F36 VanDerWaalsContact O-CD2 3.22Å; M32-F36 WeakPolarHBondContact O-CD2 3.48Å; M32-F36 WeakPolarHBondContact O-CG 3.13Å; M32-F36 PolarHBondContact O-N 2.86Å; M32-F36 HydrophobicContact SD-CE2 3.6Å; M32-F36 HydrophobicContact SD-CZ 3.91Å |
| 33 | L | 98.8 | Very high | 98.5 | Very high | 97 Ų | 97 | 103.7 Ų | 103.7 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.8 | -48.1 | 176.7 | -177.2 | 62 | 0 | 0 | 0 | 111.9 | Q29 R30 R35 F36 E37 | Q29-L33 PolarHBondContact O-N 3.33Å; R30-L33 PolarHBondContact O-N 3.31Å; L33-R35 VanDerWaalsContact C-N 3.26Å; L33-R35 PolarHBondContact O-N 2.87Å; L33-F36 PolarHBondContact O-N 2.92Å; L33-E37 HydrophobicContact CD1-CG 4.39Å; L33-E37 WeakPolarHBondContact O-CG 3.49Å; L33-E37 PolarHBondContact O-N 2.67Å |
| 34 | D | 98.7 | Very high | 98.6 | Very high | 62 Ų | 62 | 104.9 Ų | 104.9 | 33% | 0.332 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.6 | -40.2 | 176.2 | 169.9 | 79 | 0 | 0 | 0 | 112 | R30 E37 K38 | R30-D34 PolarHBondContact O-N 3.13Å; D34-E37 PolarHBondContact O-N 2.96Å; D34-K38 WeakPolarHBondContact O-CB 3.29Å; D34-K38 WeakPolarHBondContact O-CG 3.39Å; D34-K38 PolarHBondContact O-N 2.93Å; D34-K38 WeakPolarHBondContact OD1-CE 3.39Å; D34-K38 IonicContact OD1-NZ 2.93Å; D34-K38 PolarHBondContact OD1-NZ 3.3Å; D34-K38 WeakPolarHBondContact OD2-CE 3.48Å; D34-K38 IonicContact OD2-NZ 3.33Å; D34-K38 PolarHBondContact OD2-NZ 3.16Å |
| 35 | R | 98.7 | Very high | 98.6 | Very high | 152 Ų | 152 | 107.1 Ų | 107.1 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -68.4 | -38.9 | 175.9 | -67.8 | -168.3 | 101.4 | 127.6 | -1.2 | 112.7 | H31 M32 L33 T39 | H31-R35 PolarHBondContact CE1-NH1 3.47Å; H31-R35 PolarHBondContact NE2-NH1 3.03Å; H31-R35 WeakPolarHBondContact O-CG 3.37Å; H31-R35 PolarHBondContact O-N 3.08Å; H31-R35 VanDerWaalsContact O-N 3.15Å; M32-R35 PolarHBondContact O-N 3.14Å; L33-R35 VanDerWaalsContact C-N 3.26Å; L33-R35 PolarHBondContact O-N 2.87Å; R35-T39 WeakPolarHBondContact O-CB 3.4Å; R35-T39 PolarHBondContact O-N 3.19Å; R35-T39 PolarHBondContact O-OG1 3.34Å |
| 36 | F | 98.7 | Very high | 98.6 | Very high | 128 Ų | 128 | 108.6 Ų | 108.6 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 175.5 | -71.7 | -45.8 | 0 | 0 | 0 | 111.4 | M32 L33 T39 N40 | M32-F36 HydrophobicContact CB-CE2 4.48Å; M32-F36 HydrophobicContact CG-CD2 3.96Å; M32-F36 HydrophobicContact CG-CE2 3.35Å; M32-F36 HydrophobicContact CG-CZ 3.79Å; M32-F36 VanDerWaalsContact O-CD2 3.22Å; M32-F36 WeakPolarHBondContact O-CD2 3.48Å; M32-F36 WeakPolarHBondContact O-CG 3.13Å; M32-F36 PolarHBondContact O-N 2.86Å; M32-F36 HydrophobicContact SD-CE2 3.6Å; M32-F36 HydrophobicContact SD-CZ 3.91Å; L33-F36 PolarHBondContact O-N 2.92Å; F36-T39 PolarHBondContact O-N 3.34Å; F36-N40 VanDerWaalsContact O-CB 3.29Å; F36-N40 WeakPolarHBondContact O-CB 3.36Å; F36-N40 PolarHBondContact O-N 2.95Å |
| 37 | E | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 110.5 Ų | 110.5 | 54% | 0.537 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -48.8 | 178.5 | -71.8 | 174.3 | 163.5 | 0 | 0 | 111.2 | L33 D34 T39 N40 E41 | L33-E37 HydrophobicContact CD1-CG 4.39Å; L33-E37 WeakPolarHBondContact O-CG 3.49Å; L33-E37 PolarHBondContact O-N 2.67Å; D34-E37 PolarHBondContact O-N 2.96Å; E37-T39 VanDerWaalsContact C-N 3.35Å; E37-T39 PolarHBondContact O-N 3.16Å; E37-N40 PolarHBondContact O-N 3.49Å; E37-E41 PolarHBondContact O-N 3.49Å |
| 38 | K | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 106 Ų | 106 | 46% | 0.461 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.4 | -42.6 | 176.5 | -73.8 | 170.2 | 179.8 | 162 | 0 | 112.8 | D34 N40 E41 M42 | D34-K38 WeakPolarHBondContact O-CB 3.29Å; D34-K38 WeakPolarHBondContact O-CG 3.39Å; D34-K38 PolarHBondContact O-N 2.93Å; D34-K38 WeakPolarHBondContact OD1-CE 3.39Å; D34-K38 IonicContact OD1-NZ 2.93Å; D34-K38 PolarHBondContact OD1-NZ 3.3Å; D34-K38 WeakPolarHBondContact OD2-CE 3.48Å; D34-K38 IonicContact OD2-NZ 3.33Å; D34-K38 PolarHBondContact OD2-NZ 3.16Å; K38-N40 VanDerWaalsContact C-N 3.33Å; K38-E41 PolarHBondContact O-N 2.96Å; K38-M42 WeakPolarHBondContact O-CG 3.22Å; K38-M42 PolarHBondContact O-N 2.77Å |
| 39 | T | 98.6 | Very high | 98.7 | Very high | 69 Ų | 69 | 108 Ų | 108 | 42% | 0.423 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 179 | -54.2 | 0 | 0 | 0 | 0 | 110.7 | R35 F36 E37 M42 L43 | R35-T39 WeakPolarHBondContact O-CB 3.4Å; R35-T39 PolarHBondContact O-N 3.19Å; R35-T39 PolarHBondContact O-OG1 3.34Å; F36-T39 PolarHBondContact O-N 3.34Å; E37-T39 VanDerWaalsContact C-N 3.35Å; E37-T39 PolarHBondContact O-N 3.16Å; T39-M42 PolarHBondContact O-N 3.43Å; T39-L43 HydrophobicContact CG2-CD1 4.31Å; T39-L43 WeakPolarHBondContact O-CG 3.4Å; T39-L43 PolarHBondContact O-N 3.48Å |
| 40 | N | 98.7 | Very high | 98.7 | Very high | 95 Ų | 95 | 104.8 Ų | 104.8 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 178.3 | -163.4 | 44.8 | 0 | 0 | 0 | 111.6 | F36 E37 K38 L43 I44 | F36-N40 VanDerWaalsContact O-CB 3.29Å; F36-N40 WeakPolarHBondContact O-CB 3.36Å; F36-N40 PolarHBondContact O-N 2.95Å; E37-N40 PolarHBondContact O-N 3.49Å; K38-N40 VanDerWaalsContact C-N 3.33Å; N40-L43 PolarHBondContact O-N 3.44Å; N40-I44 VanDerWaalsContact O-CG1 3.27Å; N40-I44 WeakPolarHBondContact O-CG1 3.19Å; N40-I44 PolarHBondContact O-N 2.96Å |
| 41 | E | 98.7 | Very high | 98.7 | Very high | 140 Ų | 140 | 100.4 Ų | 100.4 | 65% | 0.654 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -61.8 | -45.8 | 174.4 | -170.8 | -177.5 | 177.4 | 0 | 0 | 111.8 | E37 K38 L43 I44 N45 | E37-E41 PolarHBondContact O-N 3.49Å; K38-E41 PolarHBondContact O-N 2.96Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.33Å; E41-I44 PolarHBondContact O-N 3.16Å; E41-N45 WeakPolarHBondContact O-CB 3.2Å; E41-N45 PolarHBondContact O-N 2.98Å |
| 42 | M | 98.7 | Very high | 98.7 | Very high | 127 Ų | 127 | 99.2 Ų | 99.2 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.1 | -39.4 | 175.1 | -75.4 | -170 | -69.4 | 0 | 0 | 112.2 | K38 T39 N45 F46 | K38-M42 WeakPolarHBondContact O-CG 3.22Å; K38-M42 PolarHBondContact O-N 2.77Å; T39-M42 PolarHBondContact O-N 3.43Å; M42-N45 PolarHBondContact O-N 2.98Å; M42-F46 VanDerWaalsContact O-CB 3.29Å; M42-F46 WeakPolarHBondContact O-CB 3.33Å; M42-F46 PolarHBondContact O-N 3.41Å |
| 43 | L | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 103.2 Ų | 103.2 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67.4 | -42.1 | 176.6 | -75.6 | 171.7 | 0 | 0 | 0 | 112.3 | T39 N40 E41 N45 F46 N47 | T39-L43 HydrophobicContact CG2-CD1 4.31Å; T39-L43 WeakPolarHBondContact O-CG 3.4Å; T39-L43 PolarHBondContact O-N 3.48Å; N40-L43 PolarHBondContact O-N 3.44Å; E41-L43 VanDerWaalsContact C-N 3.3Å; E41-L43 PolarHBondContact O-N 3.33Å; L43-N45 VanDerWaalsContact C-N 3.33Å; L43-F46 PolarHBondContact O-N 2.94Å; L43-N47 WeakPolarHBondContact O-CB 3.39Å; L43-N47 VanDerWaalsContact O-CG 3.23Å; L43-N47 PolarHBondContact O-N 3.44Å; L43-N47 PolarHBondContact O-ND2 2.9Å |
| 44 | I | 98.7 | Very high | 98.6 | Very high | 111 Ų | 111 | 104 Ų | 104 | 57% | 0.569 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.7 | -46.6 | 175.7 | -71.1 | 164.7 | 0 | 0 | 0 | 109.9 | N40 E41 N47 G48 | N40-I44 VanDerWaalsContact O-CG1 3.27Å; N40-I44 WeakPolarHBondContact O-CG1 3.19Å; N40-I44 PolarHBondContact O-N 2.96Å; E41-I44 PolarHBondContact O-N 3.16Å; I44-N47 PolarHBondContact O-N 3.27Å; I44-G48 PolarHBondContact O-N 2.81Å |
| 45 | N | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 105.7 Ų | 105.7 | 54% | 0.535 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 177.7 | -171.8 | -87.3 | 0 | 0 | 0 | 111.7 | E41 M42 L43 N47 G48 L49 | E41-N45 WeakPolarHBondContact O-CB 3.2Å; E41-N45 PolarHBondContact O-N 2.98Å; M42-N45 PolarHBondContact O-N 2.98Å; L43-N45 VanDerWaalsContact C-N 3.33Å; N45-N47 PolarHBondContact O-N 3.39Å; N45-G48 PolarHBondContact O-N 3.02Å; N45-L49 WeakPolarHBondContact O-CG 3.44Å; N45-L49 PolarHBondContact O-N 3.33Å; N45-L49 WeakPolarHBondContact OD1-CD1 3.47Å |
| 46 | F | 98.7 | Very high | 98.6 | Very high | 129 Ų | 129 | 103.5 Ų | 103.5 | 57% | 0.566 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.9 | -47.2 | 177.2 | 178.3 | -95.7 | 0 | 0 | 0 | 112 | M42 L43 G48 L49 S50 | M42-F46 VanDerWaalsContact O-CB 3.29Å; M42-F46 WeakPolarHBondContact O-CB 3.33Å; M42-F46 PolarHBondContact O-N 3.41Å; L43-F46 PolarHBondContact O-N 2.94Å; F46-G48 VanDerWaalsContact C-N 3.3Å; F46-G48 PolarHBondContact O-N 2.69Å; F46-L49 PolarHBondContact O-N 3.04Å; F46-S50 WeakPolarHBondContact O-CB 3.34Å; F46-S50 PolarHBondContact O-N 3.37Å |
| 47 | N | 98.5 | Very high | 98.6 | Very high | 101 Ų | 101 | 103.7 Ų | 103.7 | 54% | 0.54 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -61.4 | -41 | 177.8 | -74.3 | -21.2 | 0 | 0 | 0 | 111.3 | L43 I44 N45 N51 | L43-N47 WeakPolarHBondContact O-CB 3.39Å; L43-N47 VanDerWaalsContact O-CG 3.23Å; L43-N47 PolarHBondContact O-N 3.44Å; L43-N47 PolarHBondContact O-ND2 2.9Å; I44-N47 PolarHBondContact O-N 3.27Å; N45-N47 PolarHBondContact O-N 3.39Å; N47-N51 WeakPolarHBondContact O-CB 3.4Å; N47-N51 PolarHBondContact O-N 3.05Å |
| 48 | G | 98.6 | Very high | 98.6 | Very high | 38 Ų | 38 | 102 Ų | 102 | 39% | 0.392 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -52.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | I44 N45 F46 N51 V52 | I44-G48 PolarHBondContact O-N 2.81Å; N45-G48 PolarHBondContact O-N 3.02Å; F46-G48 VanDerWaalsContact C-N 3.3Å; F46-G48 PolarHBondContact O-N 2.69Å; G48-N51 PolarHBondContact O-N 2.89Å; G48-V52 WeakPolarHBondContact O-CG2 3.29Å; G48-V52 PolarHBondContact O-N 3.43Å |
| 49 | L | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 103.5 Ų | 103.5 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | -179.8 | -69 | 177.1 | 0 | 0 | 0 | 112.5 | N45 F46 V52 R53 | N45-L49 WeakPolarHBondContact O-CG 3.44Å; N45-L49 PolarHBondContact O-N 3.33Å; N45-L49 WeakPolarHBondContact OD1-CD1 3.47Å; F46-L49 PolarHBondContact O-N 3.04Å; L49-V52 PolarHBondContact O-N 3Å; L49-R53 PolarHBondContact O-N 3.37Å |
| 50 | S | 98.6 | Very high | 98.6 | Very high | 56 Ų | 56 | 105 Ų | 105 | 39% | 0.392 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 177.9 | -176.9 | 0 | 0 | 0 | 0 | 111.1 | F46 V52 R53 L54 | F46-S50 WeakPolarHBondContact O-CB 3.34Å; F46-S50 PolarHBondContact O-N 3.37Å; S50-V52 PolarHBondContact O-N 3.29Å; S50-R53 PolarHBondContact O-N 2.87Å; S50-L54 WeakPolarHBondContact O-CB 3.2Å; S50-L54 PolarHBondContact O-N 3.48Å |
| 51 | N | 98.7 | Very high | 98.6 | Very high | 87 Ų | 87 | 106.8 Ų | 106.8 | 47% | 0.465 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177.6 | -175.2 | 57.6 | 0 | 0 | 0 | 112.2 | N47 G48 R53 L54 L55 | N47-N51 WeakPolarHBondContact O-CB 3.4Å; N47-N51 PolarHBondContact O-N 3.05Å; G48-N51 PolarHBondContact O-N 2.89Å; N51-R53 PolarHBondContact O-N 2.91Å; N51-L54 PolarHBondContact O-N 3.09Å; N51-L55 WeakPolarHBondContact O-CG 3.33Å; N51-L55 PolarHBondContact O-N 3.41Å |
| 52 | V | 98.6 | Very high | 98.6 | Very high | 77 Ų | 77 | 104.9 Ų | 104.9 | 47% | 0.467 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 176.2 | 171 | 0 | 0 | 0 | 0 | 111.1 | G48 L49 S50 L54 L55 Q56 | G48-V52 WeakPolarHBondContact O-CG2 3.29Å; G48-V52 PolarHBondContact O-N 3.43Å; L49-V52 PolarHBondContact O-N 3Å; S50-V52 PolarHBondContact O-N 3.29Å; V52-L54 VanDerWaalsContact C-N 3.32Å; V52-L54 PolarHBondContact O-N 3.3Å; V52-L55 PolarHBondContact O-N 3.3Å; V52-Q56 WeakPolarHBondContact O-CG 3.27Å; V52-Q56 PolarHBondContact O-N 2.95Å |
| 53 | R | 98.5 | Very high | 98.6 | Very high | 190 Ų | 190 | 103.3 Ų | 103.3 | 72% | 0.717 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 177.5 | -78.1 | -180 | 173.7 | 171.9 | -1 | 112.3 | L49 S50 N51 M57 | L49-R53 PolarHBondContact O-N 3.37Å; S50-R53 PolarHBondContact O-N 2.87Å; N51-R53 PolarHBondContact O-N 2.91Å; R53-M57 WeakPolarHBondContact O-CB 3.17Å; R53-M57 PolarHBondContact O-N 3.5Å |
| 54 | L | 98.6 | Very high | 98.6 | Very high | 112 Ų | 112 | 104.7 Ų | 104.7 | 59% | 0.586 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.7 | -47.1 | 177.6 | 179.4 | 64.1 | 0 | 0 | 0 | 111.3 | S50 N51 V52 Q56 M57 N58 | S50-L54 WeakPolarHBondContact O-CB 3.2Å; S50-L54 PolarHBondContact O-N 3.48Å; N51-L54 PolarHBondContact O-N 3.09Å; V52-L54 VanDerWaalsContact C-N 3.32Å; V52-L54 PolarHBondContact O-N 3.3Å; L54-Q56 PolarHBondContact O-N 3.33Å; L54-M57 PolarHBondContact O-N 3.43Å; L54-N58 VanDerWaalsContact O-CB 3.22Å; L54-N58 WeakPolarHBondContact O-CB 3.48Å; L54-N58 PolarHBondContact O-N 2.83Å |
| 55 | L | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 102.2 Ų | 102.2 | 52% | 0.518 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 179.6 | -71.3 | 174 | 0 | 0 | 0 | 111.9 | N51 V52 N58 E59 | N51-L55 WeakPolarHBondContact O-CG 3.33Å; N51-L55 PolarHBondContact O-N 3.41Å; V52-L55 PolarHBondContact O-N 3.3Å; L55-N58 PolarHBondContact O-N 2.91Å; L55-E59 PolarHBondContact O-N 2.98Å |
| 56 | Q | 98.4 | Very high | 98.6 | Very high | 106 Ų | 106 | 105.2 Ų | 105.2 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 175.4 | -73.1 | 175 | -20.4 | 0 | 0 | 111.8 | V52 L54 N58 E59 H60 | V52-Q56 WeakPolarHBondContact O-CG 3.27Å; V52-Q56 PolarHBondContact O-N 2.95Å; L54-Q56 PolarHBondContact O-N 3.33Å; Q56-N58 VanDerWaalsContact C-N 3.31Å; Q56-N58 PolarHBondContact O-N 3.06Å; Q56-E59 PolarHBondContact O-N 3.33Å; Q56-H60 PolarHBondContact O-CD2 2.9Å; Q56-H60 PolarHBondContact O-N 2.95Å |
| 57 | M | 98.5 | Very high | 98.6 | Very high | 132 Ų | 132 | 101.7 Ų | 101.7 | 65% | 0.65 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -40.8 | 178.8 | -173.1 | 63.7 | 69.8 | 0 | 0 | 111.7 | R53 L54 E59 H60 F61 | R53-M57 WeakPolarHBondContact O-CB 3.17Å; R53-M57 PolarHBondContact O-N 3.5Å; L54-M57 PolarHBondContact O-N 3.43Å; M57-E59 PolarHBondContact O-N 3.06Å; M57-H60 PolarHBondContact O-N 3.49Å; M57-F61 WeakPolarHBondContact O-CB 3.42Å; M57-F61 PolarHBondContact O-N 2.82Å |
| 58 | N | 98.6 | Very high | 98.6 | Very high | 78 Ų | 78 | 102.4 Ų | 102.4 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | 178.7 | -175.3 | 58.7 | 0 | 0 | 0 | 111.9 | L54 L55 Q56 F61 L62 | L54-N58 VanDerWaalsContact O-CB 3.22Å; L54-N58 WeakPolarHBondContact O-CB 3.48Å; L54-N58 PolarHBondContact O-N 2.83Å; L55-N58 PolarHBondContact O-N 2.91Å; Q56-N58 VanDerWaalsContact C-N 3.31Å; Q56-N58 PolarHBondContact O-N 3.06Å; N58-F61 PolarHBondContact O-N 3.43Å; N58-L62 WeakPolarHBondContact O-CB 3.36Å; N58-L62 VanDerWaalsContact O-CG 3.29Å; N58-L62 WeakPolarHBondContact O-CG 3.43Å; N58-L62 PolarHBondContact O-N 3.38Å |
| 59 | E | 98.6 | Very high | 98.6 | Very high | 138 Ų | 138 | 104 Ų | 104 | 65% | 0.645 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -59.6 | -48.7 | 174.3 | -173.4 | -176.8 | 169.2 | 0 | 0 | 111.5 | L55 Q56 M57 F61 L62 L63 | L55-E59 PolarHBondContact O-N 2.98Å; Q56-E59 PolarHBondContact O-N 3.33Å; M57-E59 PolarHBondContact O-N 3.06Å; E59-F61 VanDerWaalsContact C-N 3.33Å; E59-F61 PolarHBondContact O-N 3.39Å; E59-L62 PolarHBondContact O-N 2.93Å; E59-L63 WeakPolarHBondContact O-CB 3.34Å; E59-L63 PolarHBondContact O-N 3.42Å |
| 60 | H | 98.4 | Very high | 98.6 | Very high | 102 Ų | 102 | 103.9 Ų | 103.9 | 47% | 0.472 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 176.4 | -69.7 | -59 | 0 | 0 | 0 | 112.3 | Q56 M57 L62 L63 H64 | Q56-H60 PolarHBondContact O-CD2 2.9Å; Q56-H60 PolarHBondContact O-N 2.95Å; M57-H60 PolarHBondContact O-N 3.49Å; H60-L62 PolarHBondContact O-N 3.26Å; H60-L63 PolarHBondContact O-N 3.46Å; H60-H64 PolarHBondContact O-CD2 2.92Å; H60-H64 VanDerWaalsContact O-CD2 3.3Å; H60-H64 VanDerWaalsContact O-CG 3.3Å; H60-H64 PolarHBondContact O-N 3.21Å |
| 61 | F | 98.7 | Very high | 98.6 | Very high | 132 Ų | 132 | 106.2 Ų | 106.2 | 58% | 0.579 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 177.9 | -177.2 | -95.8 | 0 | 0 | 0 | 112.2 | M57 N58 E59 L63 H64 T65 | M57-F61 WeakPolarHBondContact O-CB 3.42Å; M57-F61 PolarHBondContact O-N 2.82Å; N58-F61 PolarHBondContact O-N 3.43Å; E59-F61 VanDerWaalsContact C-N 3.33Å; E59-F61 PolarHBondContact O-N 3.39Å; F61-L63 VanDerWaalsContact C-N 3.35Å; F61-H64 PolarHBondContact O-N 3.45Å; F61-T65 WeakPolarHBondContact O-CB 3.29Å; F61-T65 PolarHBondContact O-N 3.27Å; F61-T65 PolarHBondContact O-OG1 3.24Å |
| 62 | L | 98.6 | Very high | 98.6 | Very high | 99 Ų | 99 | 108.4 Ų | 108.4 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.2 | -70.9 | 174.8 | 0 | 0 | 0 | 111.8 | N58 E59 H60 T65 R66 | N58-L62 WeakPolarHBondContact O-CB 3.36Å; N58-L62 VanDerWaalsContact O-CG 3.29Å; N58-L62 WeakPolarHBondContact O-CG 3.43Å; N58-L62 PolarHBondContact O-N 3.38Å; E59-L62 PolarHBondContact O-N 2.93Å; H60-L62 PolarHBondContact O-N 3.26Å; L62-T65 PolarHBondContact O-N 2.9Å; L62-R66 WeakPolarHBondContact O-CB 3.45Å; L62-R66 PolarHBondContact O-N 3.34Å |
| 63 | L | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 111 Ų | 111 | 50% | 0.497 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -51 | 175.6 | 179 | 64 | 0 | 0 | 0 | 111.1 | E59 H60 F61 T65 R66 T67 | E59-L63 WeakPolarHBondContact O-CB 3.34Å; E59-L63 PolarHBondContact O-N 3.42Å; H60-L63 PolarHBondContact O-N 3.46Å; F61-L63 VanDerWaalsContact C-N 3.35Å; L63-T65 VanDerWaalsContact C-N 3.33Å; L63-T65 PolarHBondContact O-N 3.48Å; L63-R66 WeakPolarHBondContact O-CB 3.14Å; L63-R66 PolarHBondContact O-N 2.87Å; L63-R66 VanDerWaalsContact O-N 3.16Å; L63-T67 PolarHBondContact O-N 2.9Å; L63-T67 PolarHBondContact O-OG1 3.33Å |
| 64 | H | 98.8 | Very high | 98.6 | Very high | 117 Ų | 117 | 106.9 Ų | 106.9 | 54% | 0.542 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 178.7 | -67.9 | -31 | 0 | 0 | 0 | 112.3 | H60 F61 R66 T67 L68 | H60-H64 PolarHBondContact O-CD2 2.92Å; H60-H64 VanDerWaalsContact O-CD2 3.3Å; H60-H64 VanDerWaalsContact O-CG 3.3Å; H60-H64 PolarHBondContact O-N 3.21Å; F61-H64 PolarHBondContact O-N 3.45Å; H64-R66 VanDerWaalsContact C-N 3.31Å; H64-R66 PolarHBondContact O-N 3.38Å; H64-T67 PolarHBondContact O-N 3.22Å; H64-L68 WeakPolarHBondContact O-CG 3.45Å; H64-L68 PolarHBondContact O-N 2.99Å |
| 65 | T | 98.8 | Very high | 98.6 | Very high | 60 Ų | 60 | 105.8 Ų | 105.8 | 37% | 0.368 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.5 | -43 | 175.7 | -58.4 | 0 | 0 | 0 | 0 | 111.2 | F61 L62 L63 L68 V69 | F61-T65 WeakPolarHBondContact O-CB 3.29Å; F61-T65 PolarHBondContact O-N 3.27Å; F61-T65 PolarHBondContact O-OG1 3.24Å; L62-T65 PolarHBondContact O-N 2.9Å; L63-T65 VanDerWaalsContact C-N 3.33Å; L63-T65 PolarHBondContact O-N 3.48Å; T65-L68 PolarHBondContact O-N 3.02Å; T65-V69 WeakPolarHBondContact O-CG2 3.38Å; T65-V69 PolarHBondContact O-N 3.04Å; T65-V69 VanDerWaalsContact O-N 3.08Å |
| 66 | R | 98.8 | Very high | 98.6 | Very high | 162 Ų | 162 | 104.7 Ų | 104.7 | 61% | 0.611 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.1 | -47.2 | 176.2 | -175.9 | -173.3 | -57.3 | -147.9 | 1 | 111.7 | L62 L63 H64 L68 V69 E70 | L62-R66 WeakPolarHBondContact O-CB 3.45Å; L62-R66 PolarHBondContact O-N 3.34Å; L63-R66 WeakPolarHBondContact O-CB 3.14Å; L63-R66 PolarHBondContact O-N 2.87Å; L63-R66 VanDerWaalsContact O-N 3.16Å; H64-R66 VanDerWaalsContact C-N 3.31Å; H64-R66 PolarHBondContact O-N 3.38Å; R66-L68 VanDerWaalsContact C-N 3.3Å; R66-L68 PolarHBondContact O-N 2.87Å; R66-V69 PolarHBondContact O-N 3.49Å; R66-V69 VanDerWaalsContact O-N 3.13Å; R66-E70 WeakPolarHBondContact CG-OE1 3.29Å; R66-E70 WeakPolarHBondContact O-CG 3.46Å; R66-E70 PolarHBondContact O-N 2.96Å |
| 67 | T | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 103.1 Ų | 103.1 | 34% | 0.344 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -57.9 | -43.7 | 177.9 | -58.5 | 0 | 0 | 0 | 0 | 111.4 | L63 H64 V69 E70 M71 | L63-T67 PolarHBondContact O-N 2.9Å; L63-T67 PolarHBondContact O-OG1 3.33Å; H64-T67 PolarHBondContact O-N 3.22Å; T67-V69 VanDerWaalsContact C-N 3.34Å; T67-V69 PolarHBondContact O-N 2.87Å; T67-E70 PolarHBondContact O-N 3.39Å; T67-M71 HydrophobicContact CG2-CG 4.4Å; T67-M71 HydrophobicContact CG2-SD 4.08Å; T67-M71 VanDerWaalsContact O-CG 3.3Å; T67-M71 WeakPolarHBondContact O-CG 3.33Å; T67-M71 PolarHBondContact O-N 3.4Å |
| 68 | L | 98.8 | Very high | 98.6 | Very high | 116 Ų | 116 | 101.1 Ų | 101.1 | 61% | 0.607 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -62.2 | -40.5 | 176.4 | -70.6 | 173.3 | 0 | 0 | 0 | 112.4 | H64 T65 R66 E70 M71 K72 | H64-L68 WeakPolarHBondContact O-CG 3.45Å; H64-L68 PolarHBondContact O-N 2.99Å; T65-L68 PolarHBondContact O-N 3.02Å; R66-L68 VanDerWaalsContact C-N 3.3Å; R66-L68 PolarHBondContact O-N 2.87Å; L68-E70 VanDerWaalsContact C-N 3.34Å; L68-M71 PolarHBondContact O-N 2.7Å; L68-K72 WeakPolarHBondContact O-CB 3.22Å; L68-K72 PolarHBondContact O-N 2.94Å |
| 69 | V | 98.7 | Very high | 98.6 | Very high | 72 Ų | 72 | 103.2 Ų | 103.2 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -38.3 | 175.8 | 170.4 | 0 | 0 | 0 | 0 | 111.6 | T65 R66 T67 K73 | T65-V69 WeakPolarHBondContact O-CG2 3.38Å; T65-V69 PolarHBondContact O-N 3.04Å; T65-V69 VanDerWaalsContact O-N 3.08Å; R66-V69 PolarHBondContact O-N 3.49Å; R66-V69 VanDerWaalsContact O-N 3.13Å; T67-V69 VanDerWaalsContact C-N 3.34Å; T67-V69 PolarHBondContact O-N 2.87Å; V69-K73 WeakPolarHBondContact O-CG 3.35Å; V69-K73 PolarHBondContact O-N 2.9Å; V69-K73 VanDerWaalsContact O-N 3.14Å |
| 70 | E | 98.8 | Very high | 98.6 | Very high | 95 Ų | 95 | 105.1 Ų | 105.1 | 44% | 0.444 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.5 | -48 | 175.6 | -72.6 | 171.3 | -176 | 0 | 0 | 111.3 | R66 T67 L68 K72 K73 D74 | R66-E70 WeakPolarHBondContact CG-OE1 3.29Å; R66-E70 WeakPolarHBondContact O-CG 3.46Å; R66-E70 PolarHBondContact O-N 2.96Å; T67-E70 PolarHBondContact O-N 3.39Å; L68-E70 VanDerWaalsContact C-N 3.34Å; E70-K72 VanDerWaalsContact C-N 3.27Å; E70-K72 PolarHBondContact O-N 3.3Å; E70-K73 WeakPolarHBondContact O-CB 3.34Å; E70-K73 PolarHBondContact O-N 3.23Å; E70-D74 PolarHBondContact O-N 3.01Å |
| 71 | M | 98.8 | Very high | 98.5 | Very high | 106 Ų | 106 | 108.9 Ų | 108.9 | 52% | 0.522 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58 | -39.8 | 175.5 | -70.2 | 175.8 | 69.4 | 0 | 0 | 112.1 | T67 L68 D74 L75 | T67-M71 HydrophobicContact CG2-CG 4.4Å; T67-M71 HydrophobicContact CG2-SD 4.08Å; T67-M71 VanDerWaalsContact O-CG 3.3Å; T67-M71 WeakPolarHBondContact O-CG 3.33Å; T67-M71 PolarHBondContact O-N 3.4Å; L68-M71 PolarHBondContact O-N 2.7Å; M71-D74 PolarHBondContact O-N 3.32Å; M71-L75 WeakPolarHBondContact O-CG 3.4Å; M71-L75 PolarHBondContact O-N 3.29Å |
| 72 | K | 98.3 | Very high | 98.5 | Very high | 133 Ų | 133 | 107.2 Ų | 107.2 | 58% | 0.578 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.1 | -48.7 | 173.6 | -174 | -163.8 | 170.8 | -171.5 | 0 | 111.2 | L68 E70 D74 L75 D76 | L68-K72 WeakPolarHBondContact O-CB 3.22Å; L68-K72 PolarHBondContact O-N 2.94Å; E70-K72 VanDerWaalsContact C-N 3.27Å; E70-K72 PolarHBondContact O-N 3.3Å; K72-D74 VanDerWaalsContact C-N 3.26Å; K72-D74 PolarHBondContact O-N 2.98Å; K72-L75 PolarHBondContact O-N 3.28Å; K72-D76 VanDerWaalsContact O-CG 3.27Å; K72-D76 PolarHBondContact O-N 3.15Å |
| 73 | K | 98.6 | Very high | 98.3 | Very high | 130 Ų | 130 | 108.8 Ų | 108.8 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -39 | 178.7 | -71 | 170.3 | -178 | 173.9 | 0 | 111.9 | V69 E70 D76 S77 | V69-K73 WeakPolarHBondContact O-CG 3.35Å; V69-K73 PolarHBondContact O-N 2.9Å; V69-K73 VanDerWaalsContact O-N 3.14Å; E70-K73 WeakPolarHBondContact O-CB 3.34Å; E70-K73 PolarHBondContact O-N 3.23Å; K73-D76 PolarHBondContact O-N 3.47Å; K73-S77 WeakPolarHBondContact O-CB 3.43Å; K73-S77 PolarHBondContact O-N 2.72Å |
| 74 | D | 98.5 | Very high | 98.2 | Very high | 104 Ų | 104 | 107.5 Ų | 107.5 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.1 | -44.6 | 177.1 | -69.6 | -19.3 | 0 | 0 | 0 | 111.3 | E70 M71 K72 S77 I78 | E70-D74 PolarHBondContact O-N 3.01Å; M71-D74 PolarHBondContact O-N 3.32Å; K72-D74 VanDerWaalsContact C-N 3.26Å; K72-D74 PolarHBondContact O-N 2.98Å; D74-S77 WeakPolarHBondContact O-CB 3.5Å; D74-S77 PolarHBondContact O-N 3.06Å; D74-I78 VanDerWaalsContact O-CG1 3.29Å; D74-I78 WeakPolarHBondContact O-CG1 3.49Å; D74-I78 PolarHBondContact O-N 2.97Å |
| 75 | L | 98.6 | Very high | 98.1 | Very high | 90 Ų | 90 | 106 Ų | 106 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.3 | -46.5 | 174.1 | -71.3 | -178 | 0 | 0 | 0 | 111.8 | M71 K72 S77 I78 F79 | M71-L75 WeakPolarHBondContact O-CG 3.4Å; M71-L75 PolarHBondContact O-N 3.29Å; K72-L75 PolarHBondContact O-N 3.28Å; L75-S77 PolarHBondContact O-N 2.91Å; L75-I78 PolarHBondContact O-N 3.25Å; L75-I78 VanDerWaalsContact O-N 3.1Å; L75-F79 HydrophobicContact CB-CD2 4.27Å; L75-F79 HydrophobicContact CB-CE2 4.18Å; L75-F79 HydrophobicContact CD2-CE2 4.45Å; L75-F79 WeakPolarHBondContact O-CD2 3.45Å; L75-F79 PolarHBondContact O-N 3.44Å |
| 76 | D | 97.9 | Very high | 97.8 | Very high | 75 Ų | 75 | 106.1 Ų | 106.1 | 40% | 0.401 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.5 | -40.2 | 176.9 | -68.9 | -18.7 | 0 | 0 | 0 | 111.2 | K72 K73 R80 | K72-D76 VanDerWaalsContact O-CG 3.27Å; K72-D76 PolarHBondContact O-N 3.15Å; K73-D76 PolarHBondContact O-N 3.47Å; D76-R80 VanDerWaalsContact O-CB 3.23Å; D76-R80 WeakPolarHBondContact O-CB 3.3Å; D76-R80 PolarHBondContact O-N 2.94Å |
| 77 | S | 98.4 | Very high | 97.5 | Very high | 73 Ų | 73 | 100 Ų | 100 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66 | -45.4 | 175.9 | -175.1 | 0 | 0 | 0 | 0 | 112.2 | K73 D74 L75 R80 R81 | K73-S77 WeakPolarHBondContact O-CB 3.43Å; K73-S77 PolarHBondContact O-N 2.72Å; D74-S77 WeakPolarHBondContact O-CB 3.5Å; D74-S77 PolarHBondContact O-N 3.06Å; L75-S77 PolarHBondContact O-N 2.91Å; S77-R80 PolarHBondContact O-N 3.26Å; S77-R81 WeakPolarHBondContact O-CB 3.31Å; S77-R81 PolarHBondContact O-N 2.94Å |
| 78 | I | 98.5 | Very high | 97.4 | Very high | 90 Ų | 90 | 103.3 Ų | 103.3 | 46% | 0.462 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.6 | -51.4 | 178.1 | -70.5 | 164.4 | 0 | 0 | 0 | 110.4 | D74 L75 R80 R81 I82 | D74-I78 VanDerWaalsContact O-CG1 3.29Å; D74-I78 WeakPolarHBondContact O-CG1 3.49Å; D74-I78 PolarHBondContact O-N 2.97Å; L75-I78 PolarHBondContact O-N 3.25Å; L75-I78 VanDerWaalsContact O-N 3.1Å; I78-R80 PolarHBondContact O-N 3.35Å; I78-R81 PolarHBondContact O-N 2.94Å; I78-R81 VanDerWaalsContact O-N 3.15Å; I78-I82 HydrophobicContact CG2-CD1 3.76Å; I78-I82 HydrophobicContact CG2-CG1 4.44Å; I78-I82 WeakPolarHBondContact O-CG1 3.41Å; I78-I82 PolarHBondContact O-N 3.39Å |
| 79 | F | 98.4 | Very high | 97.1 | Very high | 122 Ų | 122 | 101.9 Ų | 101.9 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62 | -41.9 | 180 | -75 | -63.7 | 0 | 0 | 0 | 112 | L75 R81 I82 R83 | L75-F79 HydrophobicContact CB-CD2 4.27Å; L75-F79 HydrophobicContact CB-CE2 4.18Å; L75-F79 HydrophobicContact CD2-CE2 4.45Å; L75-F79 WeakPolarHBondContact O-CD2 3.45Å; L75-F79 PolarHBondContact O-N 3.44Å; F79-R81 VanDerWaalsContact C-N 3.32Å; F79-R81 PolarHBondContact O-N 3.47Å; F79-I82 PolarHBondContact O-N 3.36Å; F79-R83 WeakPolarHBondContact O-CB 3.48Å; F79-R83 PolarHBondContact O-N 3.43Å |
| 80 | R | 98 | Very high | 96.8 | Very high | 179 Ų | 179 | 100 Ų | 100 | 68% | 0.675 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -59.3 | -42.9 | 174.3 | -173.3 | -172.7 | -55.5 | -171.6 | 1.1 | 112.1 | D76 S77 I78 T84 | D76-R80 VanDerWaalsContact O-CB 3.23Å; D76-R80 WeakPolarHBondContact O-CB 3.3Å; D76-R80 PolarHBondContact O-N 2.94Å; S77-R80 PolarHBondContact O-N 3.26Å; I78-R80 PolarHBondContact O-N 3.35Å; R80-T84 WeakPolarHBondContact O-CB 3.46Å; R80-T84 PolarHBondContact O-N 3.35Å; R80-T84 PolarHBondContact O-OG1 3.46Å |
| 81 | R | 98.1 | Very high | 96.5 | Very high | 181 Ų | 181 | 104.1 Ų | 104.1 | 68% | 0.683 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66 | -44 | 178.1 | -175 | 170.5 | 178.9 | 174.4 | -1 | 111 | S77 I78 F79 T84 L85 | S77-R81 WeakPolarHBondContact O-CB 3.31Å; S77-R81 PolarHBondContact O-N 2.94Å; I78-R81 PolarHBondContact O-N 2.94Å; I78-R81 VanDerWaalsContact O-N 3.15Å; F79-R81 VanDerWaalsContact C-N 3.32Å; F79-R81 PolarHBondContact O-N 3.47Å; R81-T84 WeakPolarHBondContact O-CB 3.36Å; R81-T84 PolarHBondContact O-N 3.01Å; R81-L85 HydrophobicContact CG-CD1 3.8Å; R81-L85 WeakPolarHBondContact O-CD1 3.39Å; R81-L85 PolarHBondContact O-N 3.44Å |
| 82 | I | 96.9 | Very high | 96.3 | Very high | 96 Ų | 96 | 105.4 Ų | 105.4 | 49% | 0.492 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.3 | -52 | 175.1 | -68.5 | 168.2 | 0 | 0 | 0 | 110.4 | I78 F79 T84 L85 K86 | I78-I82 HydrophobicContact CG2-CD1 3.76Å; I78-I82 HydrophobicContact CG2-CG1 4.44Å; I78-I82 WeakPolarHBondContact O-CG1 3.41Å; I78-I82 PolarHBondContact O-N 3.39Å; F79-I82 PolarHBondContact O-N 3.36Å; I82-T84 VanDerWaalsContact C-N 3.27Å; I82-T84 PolarHBondContact O-N 2.91Å; I82-L85 PolarHBondContact O-N 2.82Å; I82-K86 WeakPolarHBondContact O-CB 3.27Å; I82-K86 PolarHBondContact O-N 3.26Å |
| 83 | R | 96 | Very high | 96 | Very high | 132 Ų | 132 | 106 Ų | 106 | 50% | 0.498 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.1 | -40.1 | 178.5 | -171.7 | 173.9 | -100.4 | 129.4 | -13.3 | 111.7 | F79 G87 D110 | F79-R83 WeakPolarHBondContact O-CB 3.48Å; F79-R83 PolarHBondContact O-N 3.43Å; R83-G87 PolarHBondContact O-N 3.07Å; R83-D110 IonicContact CZ-OD2 2.77Å; R83-D110 IonicContact NH1-OD2 2.94Å; R83-D110 PolarHBondContact NH1-OD2 3.24Å; R83-D110 IonicContact NH2-OD2 2.7Å; R83-D110 PolarHBondContact NH2-OD2 2.94Å |
| 84 | T | 96.3 | Very high | 95.5 | Very high | 69 Ų | 69 | 103.4 Ų | 103.4 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.1 | -44.4 | 174.4 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | R80 R81 I82 K88 | R80-T84 WeakPolarHBondContact O-CB 3.46Å; R80-T84 PolarHBondContact O-N 3.35Å; R80-T84 PolarHBondContact O-OG1 3.46Å; R81-T84 WeakPolarHBondContact O-CB 3.36Å; R81-T84 PolarHBondContact O-N 3.01Å; I82-T84 VanDerWaalsContact C-N 3.27Å; I82-T84 PolarHBondContact O-N 2.91Å; T84-K88 HydrophobicContact CG2-CD 4.39Å; T84-K88 WeakPolarHBondContact O-CG 3.29Å; T84-K88 PolarHBondContact O-N 3.27Å |
| 85 | L | 96.3 | Very high | 94.8 | Very high | 86 Ų | 86 | 105.6 Ų | 105.6 | 45% | 0.45 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.8 | -45.9 | 178.2 | -92.3 | 74.5 | 0 | 0 | 0 | 111.3 | R81 I82 G87 K88 I89 | R81-L85 HydrophobicContact CG-CD1 3.8Å; R81-L85 WeakPolarHBondContact O-CD1 3.39Å; R81-L85 PolarHBondContact O-N 3.44Å; I82-L85 PolarHBondContact O-N 2.82Å; L85-G87 VanDerWaalsContact C-N 3.3Å; L85-G87 PolarHBondContact O-N 3.21Å; L85-K88 PolarHBondContact O-N 3.31Å; L85-K88 VanDerWaalsContact O-N 3.1Å; L85-I89 WeakPolarHBondContact O-CG1 3.41Å; L85-I89 PolarHBondContact O-N 2.85Å |
| 86 | K | 93.3 | Very high | 94.1 | Very high | 62 Ų | 62 | 104.3 Ų | 104.3 | 27% | 0.27 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -52 | -50.9 | 174.4 | -169 | 179.5 | 171.3 | 176.7 | 0 | 109.7 | I82 K88 I89 A90 F97 E102 E107 | I82-K86 WeakPolarHBondContact O-CB 3.27Å; I82-K86 PolarHBondContact O-N 3.26Å; K86-K88 PolarHBondContact O-N 3.16Å; K86-I89 PolarHBondContact O-N 2.93Å; K86-A90 WeakPolarHBondContact O-CB 3.47Å; K86-A90 PolarHBondContact O-N 3.33Å; K86-F97 HydrophobicContact CD-CZ 4.3Å; K86-F97 HydrophobicContact CG-CE2 4.05Å; K86-F97 HydrophobicContact CG-CZ 3.51Å; K86-E102 IonicContact NZ-OE1 2.67Å; K86-E102 PolarHBondContact NZ-OE1 3.17Å; K86-E102 IonicContact NZ-OE2 2.92Å; K86-E102 PolarHBondContact NZ-OE2 3.42Å; K86-E107 IonicContact NZ-OE1 2.86Å; K86-E107 PolarHBondContact NZ-OE1 3.34Å |
| 87 | G | 91.9 | Very high | 93.5 | Very high | 33 Ų | 33 | 103.9 Ų | 103.9 | 34% | 0.34 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -34.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | R83 L85 K91 | R83-G87 PolarHBondContact O-N 3.07Å; L85-G87 VanDerWaalsContact C-N 3.3Å; L85-G87 PolarHBondContact O-N 3.21Å; G87-K91 VanDerWaalsContact O-CG 3.32Å; G87-K91 WeakPolarHBondContact O-CG 3.33Å; G87-K91 PolarHBondContact O-N 3.39Å |
| 88 | K | 95.6 | Very high | 92.6 | Very high | 125 Ų | 125 | 104.2 Ų | 104.2 | 54% | 0.543 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -44.3 | 175 | -76.9 | 176.9 | -179.4 | -179.3 | 0 | 112.1 | T84 L85 K86 K91 Q92 | T84-K88 HydrophobicContact CG2-CD 4.39Å; T84-K88 WeakPolarHBondContact O-CG 3.29Å; T84-K88 PolarHBondContact O-N 3.27Å; L85-K88 PolarHBondContact O-N 3.31Å; L85-K88 VanDerWaalsContact O-N 3.1Å; K86-K88 PolarHBondContact O-N 3.16Å; K88-K91 PolarHBondContact O-N 3.48Å; K88-Q92 WeakPolarHBondContact O-CG 3.45Å; K88-Q92 PolarHBondContact O-N 3.47Å |
| 89 | I | 93.6 | Very high | 91.6 | Very high | 86 Ų | 86 | 106 Ų | 106 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.4 | -44.5 | -179.1 | -64.1 | 167.5 | 0 | 0 | 0 | 110.1 | L85 K86 K91 Q92 Y93 F97 | L85-I89 WeakPolarHBondContact O-CG1 3.41Å; L85-I89 PolarHBondContact O-N 2.85Å; K86-I89 PolarHBondContact O-N 2.93Å; I89-K91 PolarHBondContact O-N 2.89Å; I89-Q92 PolarHBondContact O-N 3.46Å; I89-Q92 VanDerWaalsContact O-N 3.13Å; I89-Y93 PolarHBondContact O-N 3.29Å; I89-F97 HydrophobicContact CB-CD2 4.31Å; I89-F97 HydrophobicContact CG2-CD2 3.76Å; I89-F97 HydrophobicContact CG2-CE2 4.35Å |
| 90 | A | 91 | Very high | 90.5 | Very high | 32 Ų | 32 | 105.2 Ų | 105.2 | 26% | 0.264 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -56.1 | -37.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K86 F97 | K86-A90 WeakPolarHBondContact O-CB 3.47Å; K86-A90 PolarHBondContact O-N 3.33Å; A90-F97 HydrophobicContact CB-CD1 3.62Å; A90-F97 HydrophobicContact CB-CD2 4.34Å; A90-F97 HydrophobicContact CB-CE1 3.72Å; A90-F97 HydrophobicContact CB-CE2 4.42Å; A90-F97 HydrophobicContact CB-CG 3.95Å; A90-F97 HydrophobicContact CB-CZ 4.14Å |
| 91 | K | 92.4 | Very high | 88.7 | Confident | 182 Ų | 182 | 105.4 Ų | 105.4 | 79% | 0.791 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -75.3 | -36.6 | 176.9 | -72.2 | 176.5 | -177.5 | -177.6 | 0 | 113.5 | G87 K88 I89 | G87-K91 VanDerWaalsContact O-CG 3.32Å; G87-K91 WeakPolarHBondContact O-CG 3.33Å; G87-K91 PolarHBondContact O-N 3.39Å; K88-K91 PolarHBondContact O-N 3.48Å; I89-K91 PolarHBondContact O-N 2.89Å |
| 92 | Q | 95.7 | Very high | 86.9 | Confident | 134 Ų | 134 | 102.6 Ų | 102.6 | 63% | 0.626 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -82.4 | -31.5 | -176.6 | -70.6 | -162 | 40.4 | 0 | 0 | 113.2 | K88 I89 | K88-Q92 WeakPolarHBondContact O-CG 3.45Å; K88-Q92 PolarHBondContact O-N 3.47Å; I89-Q92 PolarHBondContact O-N 3.46Å; I89-Q92 VanDerWaalsContact O-N 3.13Å |
| 93 | Y | 92.5 | Very high | 85.1 | Confident | 145 Ų | 145 | 102.3 Ų | 102.3 | 57% | 0.569 | 53% | 0.531 | S | S | * | . | trans | -137 | 66.3 | -175 | -57.3 | -77.4 | 0 | 0 | 0 | 111.6 | I89 E95 A96 F97 | I89-Y93 PolarHBondContact O-N 3.29Å; Y93-E95 PolarHBondContact O-N 3.46Å; Y93-A96 PolarHBondContact O-N 3.08Å; Y93-F97 VanDerWaalsContact O-CB 3.27Å; Y93-F97 WeakPolarHBondContact O-CB 3.36Å; Y93-F97 PolarHBondContact O-N 3.17Å | ||
| 94 | P | 86.8 | Confident | 82.9 | Confident | 76 Ų | 76 | 102 Ų | 102 | 49% | 0.494 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -58.5 | -46.3 | -172.5 | 20.4 | -31.4 | 0 | 0 | 0 | 113.1 | A96 F97 S98 | P94-A96 PolarHBondContact O-N 2.97Å; P94-F97 PolarHBondContact O-N 3.04Å; P94-S98 PolarHBondContact O-N 2.86Å; P94-S98 PolarHBondContact O-OG 2.89Å |
| 95 | E | 84.9 | Confident | 80.6 | Confident | 149 Ų | 149 | 105.6 Ų | 105.6 | 70% | 0.696 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -66 | -35.9 | -179.2 | -60.2 | -61.4 | 146.8 | 0 | 0 | 113.3 | Y93 S98 N99 | Y93-E95 PolarHBondContact O-N 3.46Å; E95-S98 PolarHBondContact O-OG 3.46Å; E95-N99 VanDerWaalsContact O-CG 3.25Å; E95-N99 PolarHBondContact O-ND2 2.95Å |
| 96 | A | 83.8 | Confident | 78.3 | Confident | 63 Ų | 63 | 109 Ų | 109 | 52% | 0.521 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -76 | -32.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y93 P94 | Y93-A96 PolarHBondContact O-N 3.08Å; P94-A96 PolarHBondContact O-N 2.97Å |
| 97 | F | 84.4 | Confident | 76.3 | Confident | 66 Ų | 66 | 112.2 Ų | 112.2 | 29% | 0.289 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -74.7 | -37 | -179.7 | -166.2 | -95.7 | 0 | 0 | 0 | 112.2 | K86 I89 A90 Y93 P94 N99 V100 | K86-F97 HydrophobicContact CD-CZ 4.3Å; K86-F97 HydrophobicContact CG-CE2 4.05Å; K86-F97 HydrophobicContact CG-CZ 3.51Å; I89-F97 HydrophobicContact CB-CD2 4.31Å; I89-F97 HydrophobicContact CG2-CD2 3.76Å; I89-F97 HydrophobicContact CG2-CE2 4.35Å; A90-F97 HydrophobicContact CB-CD1 3.62Å; A90-F97 HydrophobicContact CB-CD2 4.34Å; A90-F97 HydrophobicContact CB-CE1 3.72Å; A90-F97 HydrophobicContact CB-CE2 4.42Å; A90-F97 HydrophobicContact CB-CG 3.95Å; A90-F97 HydrophobicContact CB-CZ 4.14Å; Y93-F97 VanDerWaalsContact O-CB 3.27Å; Y93-F97 WeakPolarHBondContact O-CB 3.36Å; Y93-F97 PolarHBondContact O-N 3.17Å; P94-F97 PolarHBondContact O-N 3.04Å; F97-N99 PolarHBondContact O-N 2.95Å; F97-V100 PolarHBondContact O-N 3.35Å |
| 98 | S | 79.7 | Confident | 74.3 | Confident | 80 Ų | 80 | 118.8 Ų | 118.8 | 56% | 0.559 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.3 | -22.6 | 176.6 | 58 | 0 | 0 | 0 | 0 | 114.2 | P94 E95 V100 | P94-S98 PolarHBondContact O-N 2.86Å; P94-S98 PolarHBondContact O-OG 2.89Å; E95-S98 PolarHBondContact O-OG 3.46Å; S98-V100 VanDerWaalsContact C-N 3.32Å |
| 99 | N | 77.3 | Confident | 71.9 | Confident | 128 Ų | 128 | 119.3 Ų | 119.3 | 68% | 0.684 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -6.8 | -179.5 | -67 | -23.1 | 0 | 0 | 0 | 113.4 | E95 F97 H101 | E95-N99 VanDerWaalsContact O-CG 3.25Å; E95-N99 PolarHBondContact O-ND2 2.95Å; F97-N99 PolarHBondContact O-N 2.95Å; N99-H101 PolarHBondContact O-N 3.06Å |
| 100 | V | 76.6 | Confident | 70 | Confident | 106 Ų | 106 | 119.8 Ų | 119.8 | 64% | 0.642 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -83.1 | 103.2 | 173.2 | -175.5 | 0 | 0 | 0 | 0 | 107.3 | F97 S98 E102 | F97-V100 PolarHBondContact O-N 3.35Å; S98-V100 VanDerWaalsContact C-N 3.32Å; V100-E102 PolarHBondContact O-N 3.41Å |
| 101 | H | 59 | Low | 68.2 | Low | 182 Ų | 182 | 125.8 Ų | 125.8 | 84% | 0.843 | 66% | 0.657 | S | S | * | * | trans | -60.6 | 106.1 | 169.8 | -98.9 | -79.6 | 0 | 0 | 0 | 108.8 | N99 S103 | N99-H101 PolarHBondContact O-N 3.06Å; H101-S103 PolarHBondContact O-N 2.98Å | ||
| 102 | E | 61.5 | Low | 66.2 | Low | 122 Ų | 122 | 124.9 Ų | 124.9 | 57% | 0.57 | 66% | 0.655 | S | S | * | * | trans | -58.1 | 110 | 167.6 | -164.3 | 120.2 | -134.8 | 0 | 0 | 106.4 | K86 V100 | K86-E102 IonicContact NZ-OE1 2.67Å; K86-E102 PolarHBondContact NZ-OE1 3.17Å; K86-E102 IonicContact NZ-OE2 2.92Å; K86-E102 PolarHBondContact NZ-OE2 3.42Å; V100-E102 PolarHBondContact O-N 3.41Å | ||
| 103 | S | 58.3 | Low | 63.9 | Low | 91 Ų | 91 | 127.5 Ų | 127.5 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | trans | -58.6 | 136.5 | 166.9 | -61.4 | 0 | 0 | 0 | 0 | 106.5 | H101 I105 | H101-S103 PolarHBondContact O-N 2.98Å; S103-I105 PolarHBondContact O-N 3.27Å | ||
| 104 | P | 49.1 | Very low | 62 | Low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 67% | 0.674 | S | S | * | * | trans | -70.1 | 84.7 | -170.8 | 27 | -32.4 | 0 | 0 | 0 | 109.9 | ||||
| 105 | I | 48.8 | Very low | 60.1 | Low | 144 Ų | 144 | 131.2 Ų | 131.2 | 74% | 0.738 | 69% | 0.69 | S | S | * | * | trans | -99.9 | 110.3 | 157.7 | -58.5 | 176.3 | 0 | 0 | 0 | 103 | S103 E107 | S103-I105 PolarHBondContact O-N 3.27Å; I105-E107 PolarHBondContact O-N 2.97Å | ||
| 106 | L | 49 | Very low | 58.2 | Low | 157 Ų | 157 | 132 Ų | 132 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | trans | -47 | 113.1 | -176.1 | -59.1 | 170.8 | 0 | 0 | 0 | 109.1 | E108 | L106-E108 PolarHBondContact O-N 3.47Š| ||
| 107 | E | 49.7 | Very low | 56.3 | Low | 129 Ų | 129 | 133.2 Ų | 133.2 | 60% | 0.603 | 70% | 0.699 | S | S | * | * | trans | -66.4 | 83.8 | 158.1 | -64.2 | -105.2 | 179.1 | 0 | 0 | 104.8 | K86 I105 | K86-E107 IonicContact NZ-OE1 2.86Å; K86-E107 PolarHBondContact NZ-OE1 3.34Å; I105-E107 PolarHBondContact O-N 2.97Å | ||
| 108 | E | 49.6 | Very low | 54.7 | Low | 172 Ų | 172 | 136.7 Ų | 136.7 | 80% | 0.804 | 73% | 0.729 | S | S | * | * | trans | -75.6 | 118.4 | 164.7 | -163.7 | 168.3 | -146.2 | 0 | 0 | 105.9 | L106 D110 | L106-E108 PolarHBondContact O-N 3.47Å; E108-D110 PolarHBondContact O-N 3.23Å; E108-D110 VanDerWaalsContact O-N 3.16Å | ||
| 109 | D | 46.9 | Very low | 53.1 | Low | 136 Ų | 136 | 137.4 Ų | 137.4 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | trans | -42.4 | 115.1 | 178.8 | -93 | -39.1 | 0 | 0 | 0 | 111.8 | D111 | D109-D111 PolarHBondContact O-N 3.22Š| ||
| 110 | D | 52.5 | Low | 51.8 | Low | 95 Ų | 95 | 136.9 Ų | 136.9 | 51% | 0.508 | 74% | 0.735 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.4 | 8.9 | 173.3 | -101.9 | -29.2 | 0 | 0 | 0 | 112.6 | R83 E108 | R83-D110 IonicContact CZ-OD2 2.77Å; R83-D110 IonicContact NH1-OD2 2.94Å; R83-D110 PolarHBondContact NH1-OD2 3.24Å; R83-D110 IonicContact NH2-OD2 2.7Å; R83-D110 PolarHBondContact NH2-OD2 2.94Å; E108-D110 PolarHBondContact O-N 3.23Å; E108-D110 VanDerWaalsContact O-N 3.16Å |
| 111 | D | 54.2 | Low | 50.4 | Low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.1 | 6.7 | -176.4 | -73.6 | -29.1 | 0 | 0 | 0 | 114.2 | D109 | D109-D111 PolarHBondContact O-N 3.22Š|
| 112 | E | 50.9 | Low | 49.8 | Very low | 164 Ų | 164 | 131.4 Ų | 131.4 | 77% | 0.766 | 73% | 0.732 | S | S | * | * | trans | -131.9 | 55.8 | 177 | -159.3 | 169.6 | -169.5 | 0 | 0 | 113.5 | ||||
| 113 | F | 46.2 | Very low | 48.8 | Very low | 189 Ų | 189 | 131 Ų | 131 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | -106.6 | 15.9 | 163.1 | -94.4 | -81.1 | 0 | 0 | 0 | 113.4 | ||||
| 114 | D | 52.8 | Low | 48.2 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 75% | 0.747 | S | S | * | * | trans | -95.7 | 136.4 | 161.2 | -91.9 | -27.8 | 0 | 0 | 0 | 108.4 | ||||
| 115 | L | 47 | Very low | 47.9 | Very low | 157 Ų | 157 | 134.3 Ų | 134.3 | 82% | 0.822 | 75% | 0.745 | S | S | * | * | trans | 96.1 | 66.1 | 179.1 | -46 | 180 | 0 | 0 | 0 | 116.2 | P117 | L115-P117 WeakPolarHBondContact O-CD 3.37Š| ||
| 116 | I | 44.4 | Very low | 47.7 | Very low | 166 Ų | 166 | 133.4 Ų | 133.4 | 85% | 0.851 | 75% | 0.746 | S | S | * | * | trans | -78.8 | 110.7 | 145.6 | -56.7 | 173 | 0 | 0 | 0 | 107 | ||||
| 117 | P | 44.5 | Very low | 47.3 | Very low | 87 Ų | 87 | 130.8 Ų | 130.8 | 57% | 0.565 | 75% | 0.747 | S | S | * | * | trans | -68.6 | 144.5 | 174.8 | 26.1 | -32.3 | 0 | 0 | 0 | 111.1 | L115 S119 | L115-P117 WeakPolarHBondContact O-CD 3.37Å; P117-S119 PolarHBondContact O-N 2.73Å | ||
| 118 | P | 50.1 | Low | 47 | Very low | 140 Ų | 140 | 133.5 Ų | 133.5 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 60.6 | -174.4 | 35.1 | -36.8 | 0 | 0 | 0 | 111.8 | ||
| 119 | S | 46.6 | Very low | 46.7 | Very low | 95 Ų | 95 | 129.8 Ų | 129.8 | 66% | 0.664 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -125.9 | -13.7 | -179.8 | -160 | 0 | 0 | 0 | 0 | 114.8 | P117 | P117-S119 PolarHBondContact O-N 2.73Š|
| 120 | V | 49.8 | Very low | 46.8 | Very low | 116 Ų | 116 | 132 Ų | 132 | 70% | 0.703 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -96.2 | -4.2 | -176.8 | -162.4 | 0 | 0 | 0 | 0 | 113.3 | A122 | V120-A122 PolarHBondContact O-N 3.35Š|
| 121 | A | 47.9 | Very low | 46.2 | Very low | 99 Ų | 99 | 136.9 Ų | 136.9 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | G | 310 helix | trans | -75.1 | -2.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 122 | A | 46.1 | Very low | 45.9 | Very low | 75 Ų | 75 | 134.1 Ų | 134.1 | 62% | 0.62 | 77% | 0.774 | S | S | * | * | G | 310 helix | trans | -104.3 | -5 | -172.6 | 0 | 0 | 0 | 0 | 0 | 116 | V120 | V120-A122 PolarHBondContact O-N 3.35Š|
| 123 | T | 40.2 | Very low | 45.6 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 69% | 0.693 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -100.5 | -6.8 | -168.2 | -49.3 | 0 | 0 | 0 | 0 | 115 | ||
| 124 | I | 45.8 | Very low | 45.1 | Very low | 161 Ų | 161 | 132.1 Ų | 132.1 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -95 | -1 | -176 | -28.6 | -179 | 0 | 0 | 0 | 113.4 | ||
| 125 | T | 42.9 | Very low | 45.2 | Very low | 126 Ų | 126 | 130 Ų | 130 | 77% | 0.773 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -104.9 | -0.3 | -175.6 | -32.4 | 0 | 0 | 0 | 0 | 114.6 | ||
| 126 | T | 44.3 | Very low | 44.8 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | trans | -127.6 | 32.7 | -171.5 | -30 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 127 | A | 41.2 | Very low | 44.8 | Very low | 101 Ų | 101 | 127 Ų | 127 | 84% | 0.835 | 77% | 0.768 | S | S | * | * | trans | -110.6 | 32.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 128 | M | 43.1 | Very low | 44.7 | Very low | 186 Ų | 186 | 129.3 Ų | 129.3 | 92% | 0.916 | 78% | 0.78 | S | S | * | * | trans | -123.3 | 59.3 | 169.5 | -137.3 | 179.6 | 76 | 0 | 0 | 108.8 | ||||
| 129 | S | 44 | Very low | 44.6 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 66% | 0.664 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -157.2 | 110.9 | 164.3 | -132 | 0 | 0 | 0 | 0 | 110.4 | ||
| 130 | E | 47.9 | Very low | 44.8 | Very low | 181 Ų | 181 | 129 Ų | 129 | 85% | 0.846 | 78% | 0.778 | S | S | * | * | trans | 82 | 82.5 | 144.5 | -28.2 | -147.6 | 158.5 | 0 | 0 | 118.2 | ||||
| 131 | Q | 41.4 | Very low | 44.1 | Very low | 198 Ų | 198 | 130.8 Ų | 130.8 | 93% | 0.925 | 78% | 0.784 | S | S | * | * | trans | -142.7 | 98 | 132.2 | -154.5 | 172.2 | 6.4 | 0 | 0 | 110.2 | ||||
| 132 | S | 47.2 | Very low | 43.8 | Very low | 100 Ų | 100 | 131.4 Ų | 131.4 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | trans | -66.7 | 138.6 | 163.7 | -66.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 133 | T | 45.4 | Very low | 43.7 | Very low | 133 Ų | 133 | 135.1 Ų | 135.1 | 82% | 0.816 | 79% | 0.785 | S | S | * | * | 152.1 | 143.1 | 110.4 | 51.8 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 134 | E | 33.8 | Very low | 43.3 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 102.8 | 97.9 | 153.6 | -161.7 | 168 | 156.4 | 0 | 0 | 118.1 | ||||
| 135 | S | 56.2 | Low | 43.3 | Very low | 98 Ų | 98 | 133 Ų | 133 | 69% | 0.685 | 79% | 0.787 | S | S | * | * | 58.2 | 109.3 | 129.9 | -173.2 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 136 | C | 37.7 | Very low | 42.9 | Very low | 121 Ų | 121 | 133.4 Ų | 133.4 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | -161.5 | 125.9 | 107.8 | -94.9 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 137 | D | 44.5 | Very low | 42.9 | Very low | 139 Ų | 139 | 134.7 Ų | 134.7 | 74% | 0.743 | 80% | 0.796 | S | S | * | * | trans | -48.4 | 123.6 | 169.7 | -177.4 | 21.9 | 0 | 0 | 0 | 112.6 | ||||
| 138 | T | 43.6 | Very low | 43 | Very low | 136 Ų | 136 | 135.3 Ų | 135.3 | 83% | 0.834 | 79% | 0.794 | S | S | * | * | trans | -144.4 | 107.5 | 152.1 | 43.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 139 | S | 46.6 | Very low | 42.7 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -59.7 | 152 | 171.1 | -66 | 0 | 0 | 0 | 0 | 111.6 | D141 | S139-D141 PolarHBondContact O-N 3.22Š| ||
| 140 | P | 52.5 | Low | 42 | Very low | 130 Ų | 130 | 139 Ų | 139 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | trans | -88.4 | 106.1 | 171.1 | 32.8 | -25.8 | 0 | 0 | 0 | 109.1 | ||||
| 141 | D | 34.7 | Very low | 41.4 | Very low | 154 Ų | 154 | 136.2 Ų | 136.2 | 82% | 0.824 | 80% | 0.801 | S | S | * | * | trans | -95.7 | 119.7 | 171.2 | -131.7 | -11.5 | 0 | 0 | 0 | 111.2 | S139 | S139-D141 PolarHBondContact O-N 3.22Š| ||
| 142 | V | 40.3 | Very low | 41.2 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 68% | 0.679 | 80% | 0.8 | S | S | * | * | trans | 0.8 | 121.3 | 154.4 | -166.5 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 143 | I | 43.9 | Very low | 40.7 | Very low | 153 Ų | 153 | 138.6 Ų | 138.6 | 79% | 0.785 | 81% | 0.806 | S | S | * | * | trans | 16.4 | 112.8 | 140.2 | -36.2 | 169.7 | 0 | 0 | 0 | 116.8 | ||||
| 144 | S | 32.3 | Very low | 40.1 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -169.4 | 144.2 | 130.6 | -86 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 145 | P | 45.5 | Very low | 40.2 | Very low | 118 Ų | 118 | 136.2 Ų | 136.2 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -90.7 | 136.4 | -175.4 | 34.8 | -30.3 | 0 | 0 | 0 | 111.8 | ||||
| 146 | T | 34.3 | Very low | 39.1 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 82% | 0.816 | 81% | 0.81 | S | S | * | * | trans | -133.3 | 113.3 | 163.9 | 42 | 0 | 0 | 0 | 0 | 110.6 | S148 | T146-S148 PolarHBondContact O-N 3.4Š| ||
| 147 | V | 45.8 | Very low | 38.7 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -39.1 | 115.9 | 160 | -93.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 148 | S | 43.4 | Very low | 38.1 | Very low | 114 Ų | 114 | 144.3 Ų | 144.3 | 80% | 0.797 | 81% | 0.812 | S | S | * | * | trans | -126.7 | 126.8 | 165.8 | -167.9 | 0 | 0 | 0 | 0 | 109.1 | T146 | T146-S148 PolarHBondContact O-N 3.4Š| ||
| 149 | R | 36.2 | Very low | 37.5 | Very low | 237 Ų | 237 | 141.4 Ų | 141.4 | 89% | 0.894 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 123.7 | -163.6 | -64.2 | 178.3 | 166.3 | -177.9 | -5.9 | 110.8 | ||
| 150 | C | 30 | Very low | 36.7 | Very low | 123 Ų | 123 | 144.4 Ų | 144.4 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 120.8 | 160 | -73.8 | 0 | 0 | 0 | 0 | 108.4 | ||
| 151 | S | 35.1 | Very low | 35.7 | Very low | 121 Ų | 121 | 144.6 Ų | 144.6 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 124.4 | 172.6 | -33.5 | 0 | 0 | 0 | 0 | 109.5 | ||
| 152 | E | 37.4 | Very low | 36.2 | Very low | 192 Ų | 192 | 142.7 Ų | 142.7 | 90% | 0.897 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -97.4 | 137.5 | 167.5 | -67.2 | -178.4 | 116.5 | 0 | 0 | 109.5 | ||
| 153 | D | 35.4 | Very low | 35.6 | Very low | 156 Ų | 156 | 143.1 Ų | 143.1 | 83% | 0.834 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 140.8 | -175.2 | -172.1 | 30.2 | 0 | 0 | 0 | 111.7 | ||
| 154 | L | 32.9 | Very low | 35.2 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 83% | 0.832 | 81% | 0.808 | S | S | * | * | trans | -84.4 | 112.6 | -179.7 | -83.7 | 159.8 | 0 | 0 | 0 | 109.4 | ||||
| 155 | S | 36.8 | Very low | 35.2 | Very low | 103 Ų | 103 | 142.9 Ų | 142.9 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -164 | 140.5 | 155.1 | -76.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 156 | Q | 33.1 | Very low | 35.2 | Very low | 182 Ų | 182 | 142.7 Ų | 142.7 | 85% | 0.85 | 81% | 0.807 | S | S | * | * | trans | 78.8 | 106.5 | 173.5 | -90.2 | 154.3 | -28 | 0 | 0 | 117.1 | ||||
| 157 | E | 28.9 | Very low | 35 | Very low | 163 Ų | 163 | 140.9 Ų | 140.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | 113.1 | 108.2 | 51.1 | -177.6 | 173.1 | 105.1 | 0 | 0 | 108.3 | |||||
| 158 | Q | 30.9 | Very low | 34.6 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 80% | 0.801 | S | S | * | * | trans | 74.3 | 136.9 | 144.9 | -150 | 154.4 | -15.2 | 0 | 0 | 121.8 | ||||
| 159 | A | 31.8 | Very low | 34.6 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 61% | 0.612 | 80% | 0.8 | S | S | * | * | trans | -71.4 | 149.9 | -169.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 160 | D | 29.4 | Very low | 34.5 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 86% | 0.861 | 79% | 0.791 | S | S | * | * | -175.9 | 137.6 | 106.6 | -86.6 | -28.3 | 0 | 0 | 0 | 111.3 | |||||
| 161 | T | 31.6 | Very low | 35.2 | Very low | 134 Ų | 134 | 134.5 Ų | 134.5 | 82% | 0.822 | 79% | 0.787 | S | S | * | * | trans | -122.4 | 168.2 | 161.3 | 25.2 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 162 | P | 45.3 | Very low | 35.2 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | cis | -136.2 | -179.9 | 10.7 | 30.6 | -7.9 | 0 | 0 | 0 | 114 | ||||
| 163 | T | 28.6 | Very low | 35.3 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | 160.6 | 120 | 122.4 | -67.5 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 164 | S | 34.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 133.8 Ų | 133.8 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | trans | 68 | 107.1 | 147.9 | -59.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 165 | D | 32.9 | Very low | 35.7 | Very low | 150 Ų | 150 | 132.7 Ų | 132.7 | 80% | 0.802 | 79% | 0.786 | S | S | * | * | trans | -65.6 | 165.5 | 134.9 | -142.4 | 17.7 | 0 | 0 | 0 | 109.2 | ||||
| 166 | P | 44.3 | Very low | 36 | Very low | 114 Ų | 114 | 135.7 Ų | 135.7 | 74% | 0.74 | 79% | 0.793 | S | S | * | * | cis | -142.9 | 152 | 26.8 | 39.3 | -18.4 | 0 | 0 | 0 | 117.4 | ||||
| 167 | A | 31.9 | Very low | 36.6 | Very low | 95 Ų | 95 | 137.4 Ų | 137.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -174.1 | 99.2 | 145.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 168 | L | 36.3 | Very low | 37.1 | Very low | 155 Ų | 155 | 136.9 Ų | 136.9 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -82 | 149.2 | 149.4 | -95.9 | 164.2 | 0 | 0 | 0 | 108.5 | ||||
| 169 | P | 42.7 | Very low | 37.9 | Very low | 122 Ų | 122 | 136.4 Ų | 136.4 | 79% | 0.792 | 79% | 0.792 | S | S | * | * | -145.9 | 144.1 | 85 | 34.7 | -16 | 0 | 0 | 0 | 115.9 | |||||
| 170 | S | 35.1 | Very low | 38.6 | Very low | 99 Ų | 99 | 135.7 Ų | 135.7 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -86.1 | 153.7 | 146.5 | -48.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 171 | P | 45.3 | Very low | 40.1 | Very low | 115 Ų | 115 | 134.5 Ų | 134.5 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | -141.9 | 168.1 | 68 | 29.3 | -5.2 | 0 | 0 | 0 | 112.1 | |||||
| 172 | E | 34.2 | Very low | 41.1 | Very low | 188 Ų | 188 | 135.6 Ų | 135.6 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | -173.2 | 152.3 | 87.3 | -82.2 | -162.7 | 122.5 | 0 | 0 | 112.4 | |||||
| 173 | M | 39.2 | Very low | 41.5 | Very low | 195 Ų | 195 | 135.5 Ų | 135.5 | 96% | 0.961 | 80% | 0.796 | S | S | * | * | trans | -60 | 148.1 | 171.9 | -78.2 | -170.8 | -82.9 | 0 | 0 | 113.9 | ||||
| 174 | G | 36.4 | Very low | 43 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | -158.5 | 74.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 175 | V | 40.5 | Very low | 44.1 | Very low | 135 Ų | 135 | 136.6 Ų | 136.6 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | 53.9 | 117.2 | 132.3 | -178 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 176 | L | 43.2 | Very low | 44.9 | Very low | 166 Ų | 166 | 134.2 Ų | 134.2 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -52.1 | 138.3 | 159.3 | -78.6 | 100.7 | 0 | 0 | 0 | 112 | ||||
| 177 | R | 45 | Very low | 45.2 | Very low | 218 Ų | 218 | 141.8 Ų | 141.8 | 82% | 0.823 | 83% | 0.827 | S | S | * | * | trans | -124.9 | 112.6 | 154.8 | -61.3 | -167.4 | 88.4 | -163.9 | 3.1 | 109.9 | ||||
| 178 | D | 39.8 | Very low | 45.9 | Very low | 153 Ų | 153 | 144.2 Ų | 144.2 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -73.4 | 124.7 | 165.6 | 177.7 | 66.6 | 0 | 0 | 0 | 108.2 | ||||
| 179 | E | 48.7 | Very low | 46.4 | Very low | 173 Ų | 173 | 143.6 Ų | 143.6 | 81% | 0.808 | 83% | 0.83 | S | S | * | * | trans | -110.5 | 98.1 | 174.2 | -67.4 | -97.8 | 120.1 | 0 | 0 | 107.3 | ||||
| 180 | G | 45.1 | Very low | 46.6 | Very low | 59 Ų | 59 | 144.8 Ų | 144.8 | 61% | 0.608 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -79 | 148.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 181 | P | 61.8 | Low | 47.3 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 88% | 0.877 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 140.4 | -176.5 | 29.9 | -32.8 | 0 | 0 | 0 | 113.5 | ||
| 182 | D | 52 | Low | 47.4 | Very low | 158 Ų | 158 | 149.5 Ų | 149.5 | 85% | 0.845 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 150.5 | -175.7 | -156.2 | 0.5 | 0 | 0 | 0 | 113.9 | ||
| 183 | S | 54.7 | Low | 48.3 | Very low | 110 Ų | 110 | 146.9 Ų | 146.9 | 77% | 0.769 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -81 | 137 | -177 | -63.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 184 | V | 58.8 | Low | 48.9 | Very low | 137 Ų | 137 | 143.5 Ų | 143.5 | 83% | 0.83 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -90.5 | 133.4 | 170.5 | -176.3 | 0 | 0 | 0 | 0 | 109.2 | ||
| 185 | P | 58.8 | Low | 49.9 | Very low | 119 Ų | 119 | 149 Ų | 149 | 77% | 0.773 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -83.4 | 148.3 | 174.3 | 33.1 | -30.4 | 0 | 0 | 0 | 111.5 | ||
| 186 | A | 48.6 | Very low | 50.7 | Low | 101 Ų | 101 | 150.2 Ų | 150.2 | 84% | 0.835 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 141.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 187 | E | 52 | Low | 51.4 | Low | 273 Ų | 273 | 148.7 Ų | 148.7 | 100% | 1.276 | 84% | 0.842 | S | S | * | * | trans | -121.5 | 0 | 147 | -78 | -164.8 | 118.7 | 0 | 0 | 108.9 |
Retrieved 187 of 187 residues in 88.6 ms
(Link to these results)