| 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 | 47 | Very low | 40 | Very low | 226 Ų | 226 | 135.8 Ų | 135.8 | 100% | 1.113 | 72% | 0.721 | S | S | * | * | 0 | 108.1 | 0 | -71 | 172.2 | 178.8 | 0 | 0 | 106.7 | Y3 | M1-Y3 PolarHBondContact O-N 2.78Š| |||
| 2 | V | 34.2 | Very low | 41.3 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 90% | 0.897 | 72% | 0.715 | S | S | * | * | trans | -82.9 | 109.4 | 178.4 | -176.8 | 0 | 0 | 0 | 0 | 106 | ||||
| 3 | Y | 32.6 | Very low | 42.5 | Very low | 203 Ų | 203 | 131.4 Ų | 131.4 | 80% | 0.796 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 132.6 | 172.9 | -74.7 | -90.2 | 0 | 0 | 0 | 108.5 | M1 Q5 | M1-Y3 PolarHBondContact O-N 2.78Å; Y3-Q5 PolarHBondContact O-N 3.44Å |
| 4 | P | 37.3 | Very low | 43.6 | Very low | 116 Ų | 116 | 123.6 Ų | 123.6 | 75% | 0.753 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 130.3 | 173.2 | 25.2 | -29.8 | 0 | 0 | 0 | 108.4 | N6 | P4-N6 PolarHBondContact O-N 3.21Š|
| 5 | Q | 33.6 | Very low | 44.9 | Very low | 178 Ų | 178 | 119.9 Ų | 119.9 | 83% | 0.832 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 126 | 172.3 | -72.1 | 174.1 | -19.8 | 0 | 0 | 108.5 | Y3 T7 | Y3-Q5 PolarHBondContact O-N 3.44Å; Q5-T7 VanDerWaalsContact C-N 3.25Å; Q5-T7 PolarHBondContact O-N 3.26Å |
| 6 | N | 32.3 | Very low | 46.2 | Very low | 167 Ų | 167 | 121.3 Ų | 121.3 | 89% | 0.893 | 63% | 0.634 | S | S | * | * | trans | -58.2 | 95.7 | 163.5 | -85 | -20.6 | 0 | 0 | 0 | 107.4 | P4 D8 | P4-N6 PolarHBondContact O-N 3.21Å; N6-D8 PolarHBondContact O-N 3.08Å | ||
| 7 | T | 40 | Very low | 47.2 | Very low | 100 Ų | 100 | 115.2 Ų | 115.2 | 61% | 0.613 | 60% | 0.603 | S | S | * | * | trans | -61.8 | 128 | 167.4 | 9.2 | 0 | 0 | 0 | 0 | 107.6 | Q5 F9 | Q5-T7 VanDerWaalsContact C-N 3.25Å; Q5-T7 PolarHBondContact O-N 3.26Å; T7-F9 WeakPolarHBondContact O-CD2 3.36Å; T7-F9 PolarHBondContact O-N 3.23Å | ||
| 8 | D | 40.8 | Very low | 48.2 | Very low | 130 Ų | 130 | 110.4 Ų | 110.4 | 70% | 0.695 | 58% | 0.577 | S | S | * | * | trans | -68.6 | 73.3 | -176.3 | -152.9 | -18.5 | 0 | 0 | 0 | 110.8 | N6 S10 | N6-D8 PolarHBondContact O-N 3.08Å; D8-S10 PolarHBondContact O-N 3.01Å; D8-S10 PolarHBondContact OD1-OG 3.29Å | ||
| 9 | F | 43.6 | Very low | 49.4 | Very low | 138 Ų | 138 | 111.3 Ų | 111.3 | 61% | 0.605 | 58% | 0.576 | S | S | * | * | trans | -74.6 | -11.8 | 177.2 | -86.3 | -82.2 | 0 | 0 | 0 | 112.6 | T7 G11 E13 | T7-F9 WeakPolarHBondContact O-CD2 3.36Å; T7-F9 PolarHBondContact O-N 3.23Å; F9-G11 PolarHBondContact O-N 3.41Å; F9-E13 PolarHBondContact O-N 3.46Å | ||
| 10 | S | 48 | Very low | 50.4 | Low | 52 Ų | 52 | 109.4 Ų | 109.4 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -62.5 | -43.9 | -177.5 | 73.4 | 0 | 0 | 0 | 0 | 112.1 | D8 Q12 T14 | D8-S10 PolarHBondContact O-N 3.01Å; D8-S10 PolarHBondContact OD1-OG 3.29Å; S10-Q12 PolarHBondContact O-N 2.95Å; S10-T14 PolarHBondContact O-N 2.59Å; S10-T14 PolarHBondContact O-OG1 3.24Å |
| 11 | G | 50.7 | Low | 51.2 | Low | 36 Ų | 36 | 104.1 Ų | 104.1 | 37% | 0.371 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -71.1 | -27 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | F9 T14 V15 | F9-G11 PolarHBondContact O-N 3.41Å; G11-T14 WeakPolarHBondContact CA-OG1 3.25Å; G11-T14 PolarHBondContact O-OG1 3.37Å; G11-V15 WeakPolarHBondContact O-CG2 3.47Å |
| 12 | Q | 55.5 | Low | 52.2 | Low | 139 Ų | 139 | 96.1 Ų | 96.1 | 65% | 0.65 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -78 | -38.7 | 177.2 | -86 | -172.9 | -17.4 | 0 | 0 | 112.2 | S10 T14 V15 H16 | S10-Q12 PolarHBondContact O-N 2.95Å; Q12-T14 VanDerWaalsContact C-N 3.34Å; Q12-T14 PolarHBondContact O-N 3.05Å; Q12-V15 PolarHBondContact O-N 3.3Å; Q12-H16 PolarHBondContact O-N 2.8Å; Q12-H16 VanDerWaalsContact O-N 3.1Å |
| 13 | E | 56.9 | Low | 53.9 | Low | 75 Ų | 75 | 92.7 Ų | 92.7 | 35% | 0.35 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.1 | -36.7 | -178 | -148.9 | -177.9 | 175 | 0 | 0 | 110.9 | F9 H16 V17 K43 K46 | F9-E13 PolarHBondContact O-N 3.46Å; E13-H16 PolarHBondContact O-N 2.87Å; E13-V17 WeakPolarHBondContact O-CB 3.32Å; E13-V17 WeakPolarHBondContact O-CG2 3.37Å; E13-V17 PolarHBondContact O-N 3.01Å; E13-K43 IonicContact OE1-NZ 2.98Å; E13-K43 PolarHBondContact OE1-NZ 2.87Å; E13-K46 WeakPolarHBondContact OE2-CE 3.43Å; E13-K46 IonicContact OE2-NZ 2.85Å; E13-K46 PolarHBondContact OE2-NZ 2.95Å |
| 14 | T | 58.2 | Low | 55.6 | Low | 22 Ų | 22 | 83.8 Ų | 83.8 | 14% | 0.135 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.8 | -48.6 | 175.2 | 42.6 | 0 | 0 | 0 | 0 | 113.1 | S10 G11 Q12 H16 V17 E18 F40 E49 | S10-T14 PolarHBondContact O-N 2.59Å; S10-T14 PolarHBondContact O-OG1 3.24Å; G11-T14 WeakPolarHBondContact CA-OG1 3.25Å; G11-T14 PolarHBondContact O-OG1 3.37Å; Q12-T14 VanDerWaalsContact C-N 3.34Å; Q12-T14 PolarHBondContact O-N 3.05Å; T14-H16 PolarHBondContact O-N 3.08Å; T14-V17 PolarHBondContact O-N 3.17Å; T14-E18 PolarHBondContact O-N 3.49Å; T14-F40 HydrophobicContact CG2-CZ 4.3Å; T14-E49 HydrophobicContact CG2-CB 3.47Å; T14-E49 VanDerWaalsContact CG2-CB 3.47Å; T14-E49 HydrophobicContact CG2-CG 3.51Å; T14-E49 WeakPolarHBondContact CG2-OE2 3.44Å |
| 15 | V | 62.3 | Low | 56.9 | Low | 69 Ų | 69 | 78.5 Ų | 78.5 | 42% | 0.418 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61 | -35.9 | 176.4 | 174.2 | 0 | 0 | 0 | 0 | 111.1 | G11 Q12 K19 | G11-V15 WeakPolarHBondContact O-CG2 3.47Å; Q12-V15 PolarHBondContact O-N 3.3Å; V15-K19 HydrophobicContact CG1-CD 4.44Å; V15-K19 WeakPolarHBondContact O-CG 3.33Å; V15-K19 PolarHBondContact O-N 3.33Å; V15-K19 VanDerWaalsContact O-N 3.1Å |
| 16 | H | 66 | Low | 58.5 | Low | 142 Ų | 142 | 76.1 Ų | 76.1 | 66% | 0.657 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -66.6 | -43.8 | 177.9 | -121.8 | -25.5 | 0 | 0 | 0 | 112 | Q12 E13 T14 K19 L20 | Q12-H16 PolarHBondContact O-N 2.8Å; Q12-H16 VanDerWaalsContact O-N 3.1Å; E13-H16 PolarHBondContact O-N 2.87Å; T14-H16 PolarHBondContact O-N 3.08Å; H16-K19 PolarHBondContact O-N 2.92Å; H16-L20 VanDerWaalsContact O-CB 3.31Å; H16-L20 WeakPolarHBondContact O-CB 3.38Å; H16-L20 PolarHBondContact O-N 3.26Å |
| 17 | V | 63.2 | Low | 60.3 | Low | 17 Ų | 17 | 73.3 Ų | 73.3 | 10% | 0.103 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -68.7 | -40.7 | 179.8 | 171.4 | 0 | 0 | 0 | 0 | 111.2 | E13 T14 K19 L20 F21 F40 I53 | E13-V17 WeakPolarHBondContact O-CB 3.32Å; E13-V17 WeakPolarHBondContact O-CG2 3.37Å; E13-V17 PolarHBondContact O-N 3.01Å; T14-V17 PolarHBondContact O-N 3.17Å; V17-K19 PolarHBondContact O-N 3.18Å; V17-L20 PolarHBondContact O-N 3.17Å; V17-F21 HydrophobicContact CB-CE2 4.49Å; V17-F21 HydrophobicContact CG1-CD2 3.69Å; V17-F21 HydrophobicContact CG1-CE2 3.11Å; V17-F21 HydrophobicContact CG1-CZ 3.82Å; V17-F21 WeakPolarHBondContact O-CD2 3.48Å; V17-F21 WeakPolarHBondContact O-CG 3.47Å; V17-F21 PolarHBondContact O-N 3.32Å; V17-F40 HydrophobicContact CB-CD2 4.05Å; V17-F40 HydrophobicContact CB-CE2 4.02Å; V17-F40 HydrophobicContact CG1-CB 4.37Å; V17-F40 HydrophobicContact CG1-CD1 4.46Å; V17-F40 HydrophobicContact CG1-CD2 3.69Å; V17-F40 HydrophobicContact CG1-CE2 3.97Å; V17-F40 HydrophobicContact CG1-CG 3.92Å; V17-F40 HydrophobicContact CG1-CZ 4.49Å; V17-F40 HydrophobicContact CG2-CD2 3.55Å; V17-F40 HydrophobicContact CG2-CE2 3.72Å; V17-I53 HydrophobicContact CG1-CD1 3.99Å |
| 18 | E | 66.1 | Low | 61.6 | Low | 30 Ų | 30 | 74.3 Ų | 74.3 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -56.5 | -51.3 | 171.4 | -77.5 | -173.1 | 157.9 | 0 | 0 | 112 | T14 L20 F21 Q22 I53 Q56 | T14-E18 PolarHBondContact O-N 3.49Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 2.75Å; E18-F21 PolarHBondContact O-N 2.75Å; E18-Q22 WeakPolarHBondContact O-CG 3.22Å; E18-Q22 PolarHBondContact O-N 3.19Å; E18-I53 HydrophobicContact CG-CB 4.28Å; E18-I53 HydrophobicContact CG-CG1 3.62Å; E18-I53 HydrophobicContact CG-CG2 4.32Å; E18-Q56 PolarHBondContact OE1-NE2 2.99Å; E18-Q56 PolarHBondContact OE1-OE1 3.07Å; E18-Q56 PolarHBondContact OE2-NE2 3.24Å; E18-Q56 PolarHBondContact OE2-OE1 2.77Å |
| 19 | K | 70.1 | Confident | 63.1 | Low | 127 Ų | 127 | 72.4 Ų | 72.4 | 55% | 0.552 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -63.2 | -40 | 179.2 | -78.1 | -178.3 | 178.6 | 177 | 0 | 111.5 | V15 H16 V17 F21 Q22 V23 | V15-K19 HydrophobicContact CG1-CD 4.44Å; V15-K19 WeakPolarHBondContact O-CG 3.33Å; V15-K19 PolarHBondContact O-N 3.33Å; V15-K19 VanDerWaalsContact O-N 3.1Å; H16-K19 PolarHBondContact O-N 2.92Å; V17-K19 PolarHBondContact O-N 3.18Å; K19-F21 VanDerWaalsContact C-N 3.34Å; K19-Q22 PolarHBondContact O-N 3.44Å; K19-V23 WeakPolarHBondContact O-CB 3.43Å; K19-V23 WeakPolarHBondContact O-CG2 3.37Å; K19-V23 PolarHBondContact O-N 3.25Å |
| 20 | L | 68.8 | Low | 64.1 | Low | 72 Ų | 72 | 66 Ų | 66 | 38% | 0.377 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -45.7 | 176.8 | -163.9 | 77.2 | 0 | 0 | 0 | 110.3 | H16 V17 E18 V23 L24 E36 | H16-L20 VanDerWaalsContact O-CB 3.31Å; H16-L20 WeakPolarHBondContact O-CB 3.38Å; H16-L20 PolarHBondContact O-N 3.26Å; V17-L20 PolarHBondContact O-N 3.17Å; E18-L20 VanDerWaalsContact C-N 3.31Å; E18-L20 PolarHBondContact O-N 2.75Å; L20-V23 PolarHBondContact O-N 3.31Å; L20-L24 HydrophobicContact CD2-CD1 4.27Å; L20-L24 HydrophobicContact CG-CD1 3.92Å; L20-L24 HydrophobicContact CG-CG 4.41Å; L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 3.23Å; L20-E36 HydrophobicContact CD2-CB 4.34Å; L20-E36 HydrophobicContact CD2-CG 3.76Å |
| 21 | F | 68.2 | Low | 65 | Low | 0 Ų | 0 | 70.3 Ų | 70.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64 | -45.6 | 176.3 | -72.2 | -48.5 | 0 | 0 | 0 | 113.2 | V17 E18 K19 V23 L24 V25 A33 E36 V37 I53 I57 F74 | V17-F21 HydrophobicContact CB-CE2 4.49Å; V17-F21 HydrophobicContact CG1-CD2 3.69Å; V17-F21 HydrophobicContact CG1-CE2 3.11Å; V17-F21 HydrophobicContact CG1-CZ 3.82Å; V17-F21 WeakPolarHBondContact O-CD2 3.48Å; V17-F21 WeakPolarHBondContact O-CG 3.47Å; V17-F21 PolarHBondContact O-N 3.32Å; E18-F21 PolarHBondContact O-N 2.75Å; K19-F21 VanDerWaalsContact C-N 3.34Å; F21-V23 PolarHBondContact O-N 2.83Å; F21-L24 PolarHBondContact O-N 3.22Å; F21-V25 VanDerWaalsContact O-CB 3.31Å; F21-V25 WeakPolarHBondContact O-CB 3.22Å; F21-V25 VanDerWaalsContact O-CG2 3.24Å; F21-V25 WeakPolarHBondContact O-CG2 3.49Å; F21-V25 PolarHBondContact O-N 3.23Å; F21-A33 HydrophobicContact CD1-CB 3.99Å; F21-A33 HydrophobicContact CE1-CB 4.47Å; F21-A33 WeakPolarHBondContact CE1-O 3.18Å; F21-E36 HydrophobicContact CE1-CB 3.55Å; F21-E36 HydrophobicContact CZ-CB 3.89Å; F21-V37 HydrophobicContact CD1-CG2 3.96Å; F21-V37 HydrophobicContact CD2-CG2 4.36Å; F21-V37 HydrophobicContact CE1-CB 4.13Å; F21-V37 HydrophobicContact CE1-CG2 3.31Å; F21-V37 HydrophobicContact CE2-CG2 3.66Å; F21-V37 VanDerWaalsContact CZ-CA 3.45Å; F21-V37 HydrophobicContact CZ-CB 3.88Å; F21-V37 HydrophobicContact CZ-CG2 3.15Å; F21-I53 HydrophobicContact CD2-CG2 3.51Å; F21-I53 HydrophobicContact CE2-CG2 3.86Å; F21-I57 HydrophobicContact CB-CD1 4.15Å; F21-I57 HydrophobicContact CB-CG1 4.13Å; F21-I57 HydrophobicContact CD2-CD1 4.01Å; F21-I57 HydrophobicContact CG-CD1 4.03Å; F21-F74 HydrophobicContact CD1-CZ 4.43Å |
| 22 | Q | 68.1 | Low | 66.2 | Low | 57 Ų | 57 | 72.8 Ų | 72.8 | 27% | 0.266 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 177.3 | -71.9 | -176.1 | 13.6 | 0 | 0 | 111.5 | E18 K19 K26 Q56 | E18-Q22 WeakPolarHBondContact O-CG 3.22Å; E18-Q22 PolarHBondContact O-N 3.19Å; K19-Q22 PolarHBondContact O-N 3.44Å; Q22-K26 VanDerWaalsContact O-CB 3.26Å; Q22-K26 WeakPolarHBondContact O-CB 3.47Å; Q22-K26 WeakPolarHBondContact O-CG 3.31Å; Q22-K26 PolarHBondContact O-N 3.41Å; Q22-Q56 VanDerWaalsContact NE2-OE1 3.08Å |
| 23 | V | 70.2 | Confident | 66.9 | Low | 77 Ų | 77 | 66.1 Ų | 66.1 | 47% | 0.467 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -68.4 | -50.3 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 110.7 | K19 L20 F21 V25 K26 L27 | K19-V23 WeakPolarHBondContact O-CB 3.43Å; K19-V23 WeakPolarHBondContact O-CG2 3.37Å; K19-V23 PolarHBondContact O-N 3.25Å; L20-V23 PolarHBondContact O-N 3.31Å; F21-V23 PolarHBondContact O-N 2.83Å; V23-V25 VanDerWaalsContact C-N 3.35Å; V23-V25 PolarHBondContact O-N 2.77Å; V23-K26 PolarHBondContact O-N 2.86Å; V23-L27 HydrophobicContact CG1-CD1 3.62Å; V23-L27 HydrophobicContact CG1-CG 4.17Å; V23-L27 WeakPolarHBondContact O-CB 3.25Å; V23-L27 VanDerWaalsContact O-CG 3.24Å; V23-L27 WeakPolarHBondContact O-CG 3.14Å; V23-L27 PolarHBondContact O-N 3.39Å |
| 24 | L | 66.9 | Low | 67.4 | Low | 16 Ų | 16 | 63.5 Ų | 63.5 | 8% | 0.084 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -41.6 | -178.5 | -70.2 | 171.8 | 0 | 0 | 0 | 112 | L20 F21 L27 K28 K29 E32 A33 E36 | L20-L24 HydrophobicContact CD2-CD1 4.27Å; L20-L24 HydrophobicContact CG-CD1 3.92Å; L20-L24 HydrophobicContact CG-CG 4.41Å; L20-L24 WeakPolarHBondContact O-CB 3.47Å; L20-L24 WeakPolarHBondContact O-CG 3.41Å; L20-L24 PolarHBondContact O-N 3.23Å; F21-L24 PolarHBondContact O-N 3.22Å; L24-L27 CarbonylContact O-C 3.47Å; L24-L27 PolarHBondContact O-N 3.31Å; L24-K28 PolarHBondContact O-N 3.37Å; L24-K29 HydrophobicContact CD2-CB 4.03Å; L24-K29 HydrophobicContact CD2-CD 4.29Å; L24-K29 PolarHBondContact O-N 3.38Å; L24-E32 HydrophobicContact CD1-CB 4.33Å; L24-E32 HydrophobicContact CD2-CB 4.01Å; L24-E32 WeakPolarHBondContact CD2-OE2 3.34Å; L24-A33 HydrophobicContact CB-CB 3.93Å; L24-A33 HydrophobicContact CD1-CB 4.34Å; L24-E36 HydrophobicContact CD1-CG 4.42Å |
| 25 | V | 64.6 | Low | 68.1 | Low | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.024 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65 | -43.9 | 174.6 | 172.6 | 0 | 0 | 0 | 0 | 111 | F21 V23 L27 K28 A33 T60 L61 V65 F74 | F21-V25 VanDerWaalsContact O-CB 3.31Å; F21-V25 WeakPolarHBondContact O-CB 3.22Å; F21-V25 VanDerWaalsContact O-CG2 3.24Å; F21-V25 WeakPolarHBondContact O-CG2 3.49Å; F21-V25 PolarHBondContact O-N 3.23Å; V23-V25 VanDerWaalsContact C-N 3.35Å; V23-V25 PolarHBondContact O-N 2.77Å; V25-L27 VanDerWaalsContact C-N 3.3Å; V25-L27 PolarHBondContact O-N 2.77Å; V25-K28 PolarHBondContact O-N 2.83Å; V25-K28 VanDerWaalsContact O-N 3.09Å; V25-A33 HydrophobicContact CG2-CB 4.38Å; V25-T60 HydrophobicContact CG1-CG2 4.35Å; V25-L61 HydrophobicContact CG1-CD2 3.72Å; V25-V65 HydrophobicContact CG1-CG2 3.94Å; V25-F74 HydrophobicContact CG2-CE1 4.07Å |
| 26 | K | 67.7 | Low | 68.7 | Low | 128 Ų | 128 | 69.9 Ų | 69.9 | 56% | 0.557 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63 | -35.8 | 175 | -82.1 | 175.7 | -179.5 | 169.7 | 0 | 112.9 | Q22 V23 K28 | Q22-K26 VanDerWaalsContact O-CB 3.26Å; Q22-K26 WeakPolarHBondContact O-CB 3.47Å; Q22-K26 WeakPolarHBondContact O-CG 3.31Å; Q22-K26 PolarHBondContact O-N 3.41Å; V23-K26 PolarHBondContact O-N 2.86Å; K26-K28 PolarHBondContact O-N 3.43Å |
| 27 | L | 70 | Confident | 68.9 | Low | 109 Ų | 109 | 63.2 Ų | 63.2 | 57% | 0.571 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.2 | 3.2 | 176.5 | -66.5 | 176.9 | 0 | 0 | 0 | 113.1 | V23 L24 V25 K29 | V23-L27 HydrophobicContact CG1-CD1 3.62Å; V23-L27 HydrophobicContact CG1-CG 4.17Å; V23-L27 WeakPolarHBondContact O-CB 3.25Å; V23-L27 VanDerWaalsContact O-CG 3.24Å; V23-L27 WeakPolarHBondContact O-CG 3.14Å; V23-L27 PolarHBondContact O-N 3.39Å; L24-L27 CarbonylContact O-C 3.47Å; L24-L27 PolarHBondContact O-N 3.31Å; V25-L27 VanDerWaalsContact C-N 3.3Å; V25-L27 PolarHBondContact O-N 2.77Å; L27-K29 HydrophobicContact CB-CD 4.02Å; L27-K29 HydrophobicContact CB-CG 4.41Å; L27-K29 HydrophobicContact CD1-CD 4.34Å; L27-K29 PolarHBondContact O-N 2.87Å |
| 28 | K | 67.1 | Low | 69.2 | Low | 121 Ų | 121 | 66.5 Ų | 66.5 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.7 | 25.2 | -175.4 | -54.7 | -176.9 | 178.8 | -176.1 | 0 | 113.8 | L24 V25 K26 V30 | L24-K28 PolarHBondContact O-N 3.37Å; V25-K28 PolarHBondContact O-N 2.83Å; V25-K28 VanDerWaalsContact O-N 3.09Å; K26-K28 PolarHBondContact O-N 3.43Å; K28-V30 VanDerWaalsContact C-N 3.26Å; K28-V30 PolarHBondContact O-N 3.19Å |
| 29 | K | 72.3 | Confident | 69.7 | Low | 89 Ų | 89 | 67.7 Ų | 67.7 | 39% | 0.387 | 33% | 0.325 | S | S | . | . | trans | -91.5 | 60.6 | 175 | -78.8 | 162.8 | 153 | -95.3 | 0 | 109.6 | L24 L27 E31 E32 A33 | L24-K29 HydrophobicContact CD2-CB 4.03Å; L24-K29 HydrophobicContact CD2-CD 4.29Å; L24-K29 PolarHBondContact O-N 3.38Å; L27-K29 HydrophobicContact CB-CD 4.02Å; L27-K29 HydrophobicContact CB-CG 4.41Å; L27-K29 HydrophobicContact CD1-CD 4.34Å; L27-K29 PolarHBondContact O-N 2.87Å; K29-E31 PolarHBondContact O-N 2.73Å; K29-E32 HydrophobicContact CB-CB 4.23Å; K29-E32 HydrophobicContact CB-CG 4.46Å; K29-E32 WeakPolarHBondContact CD-OE2 3.4Å; K29-E32 IonicContact NZ-OE1 2.72Å; K29-E32 PolarHBondContact NZ-OE1 3.2Å; K29-E32 IonicContact NZ-OE2 2.79Å; K29-E32 PolarHBondContact NZ-OE2 2.66Å; K29-E32 PolarHBondContact O-N 2.58Å; K29-A33 PolarHBondContact O-N 2.93Å | ||
| 30 | V | 65.7 | Low | 69.7 | Low | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.024 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.3 | -36.5 | -170.8 | -173.7 | 0 | 0 | 0 | 0 | 111.7 | K28 E32 A33 V34 E70 T71 F74 | K28-V30 VanDerWaalsContact C-N 3.26Å; K28-V30 PolarHBondContact O-N 3.19Å; V30-E32 PolarHBondContact O-N 2.73Å; V30-A33 CarbonylContact O-C 3.36Å; V30-A33 WeakPolarHBondContact O-CB 3.16Å; V30-A33 PolarHBondContact O-N 3.36Å; V30-V34 HydrophobicContact CG1-CG2 4.47Å; V30-V34 WeakPolarHBondContact O-CG2 3.49Å; V30-V34 PolarHBondContact O-N 3.46Å; V30-E70 HydrophobicContact CB-CB 4.01Å; V30-E70 HydrophobicContact CG1-CB 4.09Å; V30-E70 WeakPolarHBondContact CG1-O 3.32Å; V30-E70 HydrophobicContact CG2-CB 4.2Å; V30-T71 HydrophobicContact CG1-CG2 4.44Å; V30-T71 HydrophobicContact CG2-CG2 3.82Å; V30-F74 HydrophobicContact CG1-CB 3.6Å; V30-F74 HydrophobicContact CG1-CG 4.08Å |
| 31 | E | 67.1 | Low | 69.8 | Low | 143 Ų | 143 | 59.8 Ų | 59.8 | 67% | 0.668 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -64.1 | -38.9 | 175.9 | -68.4 | -170.9 | 159.9 | 0 | 0 | 113 | K29 A33 V34 K35 | K29-E31 PolarHBondContact O-N 2.73Å; E31-A33 VanDerWaalsContact C-N 3.33Å; E31-V34 PolarHBondContact O-N 3.15Å; E31-K35 PolarHBondContact O-N 3.32Å |
| 32 | E | 74.2 | Confident | 69.9 | Low | 87 Ų | 87 | 64.2 Ų | 64.2 | 41% | 0.407 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -65.8 | -39.7 | 174.4 | -68.8 | 171.6 | -159.4 | 0 | 0 | 110.3 | L24 K29 V30 V34 K35 E36 | L24-E32 HydrophobicContact CD1-CB 4.33Å; L24-E32 HydrophobicContact CD2-CB 4.01Å; L24-E32 WeakPolarHBondContact CD2-OE2 3.34Å; K29-E32 HydrophobicContact CB-CB 4.23Å; K29-E32 HydrophobicContact CB-CG 4.46Å; K29-E32 WeakPolarHBondContact CD-OE2 3.4Å; K29-E32 IonicContact NZ-OE1 2.72Å; K29-E32 PolarHBondContact NZ-OE1 3.2Å; K29-E32 IonicContact NZ-OE2 2.79Å; K29-E32 PolarHBondContact NZ-OE2 2.66Å; K29-E32 PolarHBondContact O-N 2.58Å; V30-E32 PolarHBondContact O-N 2.73Å; E32-V34 PolarHBondContact O-N 3.36Å; E32-K35 PolarHBondContact O-N 3.02Å; E32-E36 PolarHBondContact O-N 2.84Å |
| 33 | A | 70.3 | Confident | 69.9 | Low | 0 Ų | 0 | 66.4 Ų | 66.4 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63 | -39.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | F21 L24 V25 K29 V30 E31 E36 V37 F74 | F21-A33 HydrophobicContact CD1-CB 3.99Å; F21-A33 HydrophobicContact CE1-CB 4.47Å; F21-A33 WeakPolarHBondContact CE1-O 3.18Å; L24-A33 HydrophobicContact CB-CB 3.93Å; L24-A33 HydrophobicContact CD1-CB 4.34Å; V25-A33 HydrophobicContact CG2-CB 4.38Å; K29-A33 PolarHBondContact O-N 2.93Å; V30-A33 CarbonylContact O-C 3.36Å; V30-A33 WeakPolarHBondContact O-CB 3.16Å; V30-A33 PolarHBondContact O-N 3.36Å; E31-A33 VanDerWaalsContact C-N 3.33Å; A33-E36 PolarHBondContact O-N 3.45Å; A33-V37 WeakPolarHBondContact O-CG2 3.1Å; A33-V37 PolarHBondContact O-N 3.5Å; A33-F74 HydrophobicContact CB-CE1 4.43Å; A33-F74 HydrophobicContact CB-CE2 4.26Å; A33-F74 HydrophobicContact CB-CZ 4.01Å |
| 34 | V | 67.8 | Low | 69.2 | Low | 20 Ų | 20 | 65.3 Ų | 65.3 | 12% | 0.121 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.3 | -47.8 | 175 | 175.9 | 0 | 0 | 0 | 0 | 110.6 | V30 E31 E32 E36 V37 E38 F74 K77 | V30-V34 HydrophobicContact CG1-CG2 4.47Å; V30-V34 WeakPolarHBondContact O-CG2 3.49Å; V30-V34 PolarHBondContact O-N 3.46Å; E31-V34 PolarHBondContact O-N 3.15Å; E32-V34 PolarHBondContact O-N 3.36Å; V34-E36 PolarHBondContact O-N 2.68Å; V34-V37 WeakPolarHBondContact O-CB 3.35Å; V34-V37 PolarHBondContact O-N 2.87Å; V34-E38 HydrophobicContact CG1-CG 4.47Å; V34-E38 WeakPolarHBondContact O-CG 3.12Å; V34-E38 PolarHBondContact O-N 3.45Å; V34-F74 HydrophobicContact CB-CD2 4.2Å; V34-F74 HydrophobicContact CB-CE2 4.5Å; V34-F74 HydrophobicContact CG2-CB 4.16Å; V34-F74 HydrophobicContact CG2-CD2 3.37Å; V34-F74 HydrophobicContact CG2-CE2 4.09Å; V34-F74 HydrophobicContact CG2-CG 4.13Å; V34-K77 HydrophobicContact CG1-CD 3.78Å |
| 35 | K | 73.7 | Confident | 69 | Low | 146 Ų | 146 | 72.3 Ų | 72.3 | 64% | 0.635 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.8 | -41.8 | -179.2 | -77 | -179.3 | 179.2 | 175.5 | 0 | 112.3 | E31 E32 V37 E38 S39 | E31-K35 PolarHBondContact O-N 3.32Å; E32-K35 PolarHBondContact O-N 3.02Å; K35-V37 VanDerWaalsContact C-N 3.32Å; K35-E38 PolarHBondContact O-N 3.07Å; K35-S39 VanDerWaalsContact O-CB 3.29Å; K35-S39 WeakPolarHBondContact O-CB 3.44Å; K35-S39 PolarHBondContact O-N 3.08Å |
| 36 | E | 74.9 | Confident | 69.2 | Low | 78 Ų | 78 | 73.2 Ų | 73.2 | 36% | 0.364 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | 177.1 | -81.2 | -63.8 | 174.5 | 0 | 0 | 112 | L20 F21 L24 E32 A33 V34 S39 F40 | L20-E36 HydrophobicContact CD2-CB 4.34Å; L20-E36 HydrophobicContact CD2-CG 3.76Å; F21-E36 HydrophobicContact CE1-CB 3.55Å; F21-E36 HydrophobicContact CZ-CB 3.89Å; L24-E36 HydrophobicContact CD1-CG 4.42Å; E32-E36 PolarHBondContact O-N 2.84Å; A33-E36 PolarHBondContact O-N 3.45Å; V34-E36 PolarHBondContact O-N 2.68Å; E36-S39 PolarHBondContact O-N 3.41Å; E36-F40 VanDerWaalsContact O-CB 3.23Å; E36-F40 WeakPolarHBondContact O-CB 3.29Å; E36-F40 PolarHBondContact O-N 3.48Å |
| 37 | V | 70.4 | Confident | 69 | Low | 3 Ų | 3 | 68.5 Ų | 68.5 | 2% | 0.018 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.1 | -51.8 | 172.2 | 161.2 | 0 | 0 | 0 | 0 | 109.6 | F21 A33 V34 K35 S39 F40 I41 F50 F74 I81 | F21-V37 HydrophobicContact CD1-CG2 3.96Å; F21-V37 HydrophobicContact CD2-CG2 4.36Å; F21-V37 HydrophobicContact CE1-CB 4.13Å; F21-V37 HydrophobicContact CE1-CG2 3.31Å; F21-V37 HydrophobicContact CE2-CG2 3.66Å; F21-V37 VanDerWaalsContact CZ-CA 3.45Å; F21-V37 HydrophobicContact CZ-CB 3.88Å; F21-V37 HydrophobicContact CZ-CG2 3.15Å; A33-V37 WeakPolarHBondContact O-CG2 3.1Å; A33-V37 PolarHBondContact O-N 3.5Å; V34-V37 WeakPolarHBondContact O-CB 3.35Å; V34-V37 PolarHBondContact O-N 2.87Å; K35-V37 VanDerWaalsContact C-N 3.32Å; V37-S39 VanDerWaalsContact C-N 3.3Å; V37-S39 PolarHBondContact O-N 2.98Å; V37-F40 PolarHBondContact O-N 2.79Å; V37-F40 VanDerWaalsContact O-N 3.15Å; V37-I41 HydrophobicContact CG1-CD1 3.3Å; V37-I41 HydrophobicContact CG1-CG1 4.16Å; V37-I41 VanDerWaalsContact O-CD1 3.25Å; V37-I41 WeakPolarHBondContact O-CD1 3.38Å; V37-I41 WeakPolarHBondContact O-CG1 3.03Å; V37-I41 PolarHBondContact O-N 3.35Å; V37-F50 HydrophobicContact CB-CE2 4.35Å; V37-F50 HydrophobicContact CG1-CE2 3.44Å; V37-F50 VanDerWaalsContact CG1-CE2 3.44Å; V37-F50 HydrophobicContact CG1-CZ 3.61Å; V37-F50 HydrophobicContact CG2-CE2 4.11Å; V37-F74 HydrophobicContact CB-CE2 4.22Å; V37-F74 HydrophobicContact CG2-CE2 3.61Å; V37-F74 HydrophobicContact CG2-CZ 3.68Å; V37-I81 HydrophobicContact CG1-CD1 4.21Å |
| 38 | E | 69.9 | Low | 68.7 | Low | 86 Ų | 86 | 65.9 Ų | 65.9 | 40% | 0.402 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.1 | -42.7 | -179.5 | -72.1 | 173.3 | 175.3 | 0 | 0 | 111.4 | V34 K35 S42 K77 | V34-E38 HydrophobicContact CG1-CG 4.47Å; V34-E38 WeakPolarHBondContact O-CG 3.12Å; V34-E38 PolarHBondContact O-N 3.45Å; K35-E38 PolarHBondContact O-N 3.07Å; E38-S42 WeakPolarHBondContact O-CB 3.35Å; E38-S42 PolarHBondContact O-N 3Å; E38-K77 IonicContact OE1-NZ 2.64Å; E38-K77 PolarHBondContact OE1-NZ 3.05Å |
| 39 | S | 75.7 | Confident | 68.9 | Low | 54 Ų | 54 | 62.4 Ų | 62.4 | 38% | 0.378 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -59.6 | -48.6 | 173.2 | -179.8 | 0 | 0 | 0 | 0 | 112 | K35 E36 V37 I41 S42 | K35-S39 VanDerWaalsContact O-CB 3.29Å; K35-S39 WeakPolarHBondContact O-CB 3.44Å; K35-S39 PolarHBondContact O-N 3.08Å; E36-S39 PolarHBondContact O-N 3.41Å; V37-S39 VanDerWaalsContact C-N 3.3Å; V37-S39 PolarHBondContact O-N 2.98Å; S39-I41 PolarHBondContact O-N 3.35Å; S39-S42 PolarHBondContact O-N 2.64Å; S39-S42 PolarHBondContact O-OG 2.7Å |
| 40 | F | 71.2 | Confident | 68.9 | Low | 5 Ų | 5 | 58.1 Ų | 58.1 | 2% | 0.022 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -61.7 | -43.7 | -179.8 | -177.1 | -99.7 | 0 | 0 | 0 | 112.4 | T14 V17 E36 V37 S42 K43 K46 E49 F50 I53 | T14-F40 HydrophobicContact CG2-CZ 4.3Å; V17-F40 HydrophobicContact CB-CD2 4.05Å; V17-F40 HydrophobicContact CB-CE2 4.02Å; V17-F40 HydrophobicContact CG1-CB 4.37Å; V17-F40 HydrophobicContact CG1-CD1 4.46Å; V17-F40 HydrophobicContact CG1-CD2 3.69Å; V17-F40 HydrophobicContact CG1-CE2 3.97Å; V17-F40 HydrophobicContact CG1-CG 3.92Å; V17-F40 HydrophobicContact CG1-CZ 4.49Å; V17-F40 HydrophobicContact CG2-CD2 3.55Å; V17-F40 HydrophobicContact CG2-CE2 3.72Å; E36-F40 VanDerWaalsContact O-CB 3.23Å; E36-F40 WeakPolarHBondContact O-CB 3.29Å; E36-F40 PolarHBondContact O-N 3.48Å; V37-F40 PolarHBondContact O-N 2.79Å; V37-F40 VanDerWaalsContact O-N 3.15Å; F40-S42 VanDerWaalsContact C-N 3.35Å; F40-K43 PolarHBondContact O-N 2.72Å; F40-K46 HydrophobicContact CD1-CB 4.28Å; F40-K46 HydrophobicContact CD2-CD 3.93Å; F40-K46 HydrophobicContact CE1-CB 3.63Å; F40-K46 HydrophobicContact CE1-CD 4.23Å; F40-K46 HydrophobicContact CE2-CB 4.27Å; F40-K46 HydrophobicContact CE2-CD 3.32Å; F40-K46 HydrophobicContact CE2-CG 4.43Å; F40-K46 HydrophobicContact CZ-CB 3.64Å; F40-K46 HydrophobicContact CZ-CD 3.49Å; F40-K46 VanDerWaalsContact CZ-CD 3.49Å; F40-K46 HydrophobicContact CZ-CG 4.19Å; F40-E49 HydrophobicContact CE1-CB 4.44Å; F40-E49 HydrophobicContact CZ-CB 4.18Å; F40-F50 HydrophobicContact CD1-CD2 4.2Å; F40-F50 HydrophobicContact CE1-CB 4.27Å; F40-I53 HydrophobicContact CD1-CD1 4.14Å; F40-I53 HydrophobicContact CE1-CD1 3.43Å; F40-I53 VanDerWaalsContact CE1-CD1 3.43Å; F40-I53 HydrophobicContact CE2-CD1 4.33Å; F40-I53 HydrophobicContact CZ-CD1 3.52Å |
| 41 | I | 69.4 | Low | 69.1 | Low | 28 Ų | 28 | 59.2 Ų | 59.2 | 14% | 0.144 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -72.8 | -30.7 | -178.8 | -52.3 | 151.3 | 0 | 0 | 0 | 111.5 | V37 S39 K43 L47 F50 I81 | V37-I41 HydrophobicContact CG1-CD1 3.3Å; V37-I41 HydrophobicContact CG1-CG1 4.16Å; V37-I41 VanDerWaalsContact O-CD1 3.25Å; V37-I41 WeakPolarHBondContact O-CD1 3.38Å; V37-I41 WeakPolarHBondContact O-CG1 3.03Å; V37-I41 PolarHBondContact O-N 3.35Å; S39-I41 PolarHBondContact O-N 3.35Å; I41-K43 PolarHBondContact O-N 3.34Å; I41-L47 HydrophobicContact CG2-CD1 4.24Å; I41-L47 HydrophobicContact CG2-CD2 4.19Å; I41-L47 HydrophobicContact CG2-CG 4.11Å; I41-F50 HydrophobicContact CD1-CD2 4.31Å; I41-F50 HydrophobicContact CD1-CE1 4.1Å; I41-F50 HydrophobicContact CD1-CE2 3.88Å; I41-F50 HydrophobicContact CD1-CZ 3.74Å; I41-F50 HydrophobicContact CG1-CD1 4.3Å; I41-F50 HydrophobicContact CG1-CD2 3.8Å; I41-F50 HydrophobicContact CG1-CE1 4.35Å; I41-F50 HydrophobicContact CG1-CE2 3.88Å; I41-F50 HydrophobicContact CG1-CG 4.03Å; I41-F50 HydrophobicContact CG1-CZ 4.14Å; I41-I81 HydrophobicContact CD1-CB 4.45Å; I41-I81 HydrophobicContact CD1-CD1 3.33Å; I41-I81 HydrophobicContact CD1-CG1 4.18Å; I41-I81 HydrophobicContact CD1-CG2 3.73Å; I41-I81 HydrophobicContact CG1-CG2 4.38Å; I41-I81 HydrophobicContact CG2-CG2 4.2Å |
| 42 | S | 69.8 | Low | 69.3 | Low | 93 Ų | 93 | 61.8 Ų | 61.8 | 65% | 0.65 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -62.9 | -19.5 | 177.3 | 75.2 | 0 | 0 | 0 | 0 | 113.2 | E38 S39 F40 G44 | E38-S42 WeakPolarHBondContact O-CB 3.35Å; E38-S42 PolarHBondContact O-N 3Å; S39-S42 PolarHBondContact O-N 2.64Å; S39-S42 PolarHBondContact O-OG 2.7Å; F40-S42 VanDerWaalsContact C-N 3.35Å; S42-G44 PolarHBondContact O-N 3.16Å; S42-G44 VanDerWaalsContact O-N 3.08Å |
| 43 | K | 69.3 | Low | 69.3 | Low | 103 Ų | 103 | 57.7 Ų | 57.7 | 45% | 0.448 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -79.1 | 86.8 | 167.3 | -60.9 | 177.9 | 177.4 | 178.3 | 0 | 108.1 | E13 F40 I41 D45 K46 | E13-K43 IonicContact OE1-NZ 2.98Å; E13-K43 PolarHBondContact OE1-NZ 2.87Å; F40-K43 PolarHBondContact O-N 2.72Å; I41-K43 PolarHBondContact O-N 3.34Å; K43-D45 PolarHBondContact O-N 3.43Å; K43-K46 PolarHBondContact O-N 3.17Å |
| 44 | G | 55.3 | Low | 69.5 | Low | 54 Ų | 54 | 57.7 Ų | 57.7 | 56% | 0.557 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -7.8 | -160.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | S42 | S42-G44 PolarHBondContact O-N 3.16Å; S42-G44 VanDerWaalsContact O-N 3.08Å |
| 45 | D | 63.7 | Low | 69.9 | Low | 164 Ų | 164 | 58.8 Ų | 58.8 | 88% | 0.877 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -2.7 | -179.6 | -72.5 | -28.5 | 0 | 0 | 0 | 114.7 | K43 | K43-D45 PolarHBondContact O-N 3.43Š|
| 46 | K | 67 | Low | 69.9 | Low | 22 Ų | 22 | 54.8 Ų | 54.8 | 10% | 0.096 | 30% | 0.302 | C | S | . | . | trans | -96.9 | 14 | -170.7 | -60.2 | -161.3 | 169.9 | -118.1 | 0 | 115.9 | E13 F40 K43 E49 F50 | E13-K46 WeakPolarHBondContact OE2-CE 3.43Å; E13-K46 IonicContact OE2-NZ 2.85Å; E13-K46 PolarHBondContact OE2-NZ 2.95Å; F40-K46 HydrophobicContact CD1-CB 4.28Å; F40-K46 HydrophobicContact CD2-CD 3.93Å; F40-K46 HydrophobicContact CE1-CB 3.63Å; F40-K46 HydrophobicContact CE1-CD 4.23Å; F40-K46 HydrophobicContact CE2-CB 4.27Å; F40-K46 HydrophobicContact CE2-CD 3.32Å; F40-K46 HydrophobicContact CE2-CG 4.43Å; F40-K46 HydrophobicContact CZ-CB 3.64Å; F40-K46 HydrophobicContact CZ-CD 3.49Å; F40-K46 VanDerWaalsContact CZ-CD 3.49Å; F40-K46 HydrophobicContact CZ-CG 4.19Å; K43-K46 PolarHBondContact O-N 3.17Å; K46-E49 WeakPolarHBondContact CB-OE2 3.39Å; K46-E49 WeakPolarHBondContact CD-OE2 3.46Å; K46-E49 WeakPolarHBondContact CG-OE2 3.25Å; K46-E49 IonicContact NZ-OE2 2.78Å; K46-E49 PolarHBondContact NZ-OE2 3.49Å; K46-E49 WeakPolarHBondContact O-CB 3.45Å; K46-E49 PolarHBondContact O-N 3.46Å; K46-F50 PolarHBondContact O-N 3.21Å | ||
| 47 | L | 63.5 | Low | 69.9 | Low | 29 Ų | 29 | 51.4 Ų | 51.4 | 15% | 0.152 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70 | -35.1 | -175.2 | -89 | 121.9 | 0 | 0 | 0 | 114.5 | I41 E49 F50 S51 K85 | I41-L47 HydrophobicContact CG2-CD1 4.24Å; I41-L47 HydrophobicContact CG2-CD2 4.19Å; I41-L47 HydrophobicContact CG2-CG 4.11Å; L47-E49 PolarHBondContact O-N 3.41Å; L47-F50 WeakPolarHBondContact O-CB 3.3Å; L47-F50 PolarHBondContact O-N 3.38Å; L47-S51 PolarHBondContact O-N 3.2Å; L47-K85 HydrophobicContact CD1-CD 4.32Å; L47-K85 HydrophobicContact CD2-CD 3.76Å; L47-K85 HydrophobicContact CD2-CG 3.96Å; L47-K85 HydrophobicContact CG-CD 4.43Å |
| 48 | G | 64.5 | Low | 70 | Confident | 55 Ų | 55 | 51.3 Ų | 51.3 | 57% | 0.567 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -62.8 | -37.8 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 49 | E | 71.2 | Confident | 70.2 | Confident | 47 Ų | 47 | 50.5 Ų | 50.5 | 22% | 0.22 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.9 | -38.1 | 174.4 | -56.1 | 175.2 | 160.6 | 0 | 0 | 111.3 | T14 F40 K46 L47 S51 R52 I53 | T14-E49 HydrophobicContact CG2-CB 3.47Å; T14-E49 VanDerWaalsContact CG2-CB 3.47Å; T14-E49 HydrophobicContact CG2-CG 3.51Å; T14-E49 WeakPolarHBondContact CG2-OE2 3.44Å; F40-E49 HydrophobicContact CE1-CB 4.44Å; F40-E49 HydrophobicContact CZ-CB 4.18Å; K46-E49 WeakPolarHBondContact CB-OE2 3.39Å; K46-E49 WeakPolarHBondContact CD-OE2 3.46Å; K46-E49 WeakPolarHBondContact CG-OE2 3.25Å; K46-E49 IonicContact NZ-OE2 2.78Å; K46-E49 PolarHBondContact NZ-OE2 3.49Å; K46-E49 WeakPolarHBondContact O-CB 3.45Å; K46-E49 PolarHBondContact O-N 3.46Å; L47-E49 PolarHBondContact O-N 3.41Å; E49-S51 VanDerWaalsContact C-N 3.3Å; E49-S51 PolarHBondContact O-N 3.39Å; E49-R52 PolarHBondContact O-N 3.46Å; E49-I53 VanDerWaalsContact O-CG1 3.29Å; E49-I53 WeakPolarHBondContact O-CG1 3.35Å; E49-I53 PolarHBondContact O-N 3.49Å; E49-I53 VanDerWaalsContact O-N 3.17Å |
| 50 | F | 72.6 | Confident | 70 | Confident | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.6 | -36.8 | 177.8 | -173.9 | -111.9 | 0 | 0 | 0 | 113.1 | V37 F40 I41 K46 L47 R52 I53 V54 C78 I81 L82 | V37-F50 HydrophobicContact CB-CE2 4.35Å; V37-F50 HydrophobicContact CG1-CE2 3.44Å; V37-F50 VanDerWaalsContact CG1-CE2 3.44Å; V37-F50 HydrophobicContact CG1-CZ 3.61Å; V37-F50 HydrophobicContact CG2-CE2 4.11Å; F40-F50 HydrophobicContact CD1-CD2 4.2Å; F40-F50 HydrophobicContact CE1-CB 4.27Å; I41-F50 HydrophobicContact CD1-CD2 4.31Å; I41-F50 HydrophobicContact CD1-CE1 4.1Å; I41-F50 HydrophobicContact CD1-CE2 3.88Å; I41-F50 HydrophobicContact CD1-CZ 3.74Å; I41-F50 HydrophobicContact CG1-CD1 4.3Å; I41-F50 HydrophobicContact CG1-CD2 3.8Å; I41-F50 HydrophobicContact CG1-CE1 4.35Å; I41-F50 HydrophobicContact CG1-CE2 3.88Å; I41-F50 HydrophobicContact CG1-CG 4.03Å; I41-F50 HydrophobicContact CG1-CZ 4.14Å; K46-F50 PolarHBondContact O-N 3.21Å; L47-F50 WeakPolarHBondContact O-CB 3.3Å; L47-F50 PolarHBondContact O-N 3.38Å; F50-R52 PolarHBondContact O-N 2.06Å; F50-I53 WeakPolarHBondContact O-CB 3.22Å; F50-I53 PolarHBondContact O-N 3.25Å; F50-I53 VanDerWaalsContact O-N 3.16Å; F50-V54 HydrophobicContact CD1-CG2 3.9Å; F50-V54 HydrophobicContact CD2-CG2 4.26Å; F50-V54 HydrophobicContact CE1-CG2 3.42Å; F50-V54 VanDerWaalsContact CE1-CG2 3.42Å; F50-V54 HydrophobicContact CE2-CG2 3.8Å; F50-V54 HydrophobicContact CG-CG2 4.3Å; F50-V54 HydrophobicContact CZ-CG2 3.36Å; F50-V54 WeakPolarHBondContact O-CG2 3.22Å; F50-V54 PolarHBondContact O-N 2.95Å; F50-C78 HydrophobicContact CZ-CB 4.41Å; F50-I81 HydrophobicContact CD1-CG2 3.96Å; F50-I81 HydrophobicContact CE1-CB 3.96Å; F50-I81 HydrophobicContact CE1-CG2 3.48Å; F50-I81 VanDerWaalsContact CE1-CG2 3.48Å; F50-I81 HydrophobicContact CZ-CD1 4.41Å; F50-I81 HydrophobicContact CZ-CG2 4.26Å; F50-L82 HydrophobicContact CD1-CD2 3.71Å; F50-L82 HydrophobicContact CD1-CG 4.27Å; F50-L82 HydrophobicContact CE1-CD2 4.1Å; F50-L82 HydrophobicContact CE1-CG 4.13Å |
| 51 | S | 69 | Low | 69.8 | Low | 26 Ų | 26 | 48.7 Ų | 48.7 | 18% | 0.182 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58 | -45.5 | 175.9 | -176.7 | 0 | 0 | 0 | 0 | 112.4 | L47 E49 I53 V54 D55 | L47-S51 PolarHBondContact O-N 3.2Å; E49-S51 VanDerWaalsContact C-N 3.3Å; E49-S51 PolarHBondContact O-N 3.39Å; S51-I53 VanDerWaalsContact C-N 3.35Å; S51-I53 PolarHBondContact O-N 3.41Å; S51-V54 PolarHBondContact O-N 2.91Å; S51-D55 PolarHBondContact O-N 3.14Å; S51-D55 VanDerWaalsContact O-N 3.12Å |
| 52 | R | 72.4 | Confident | 69.7 | Low | 197 Ų | 197 | 48.6 Ų | 48.6 | 74% | 0.743 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -61.8 | -42.4 | 174.3 | -90.4 | -176.9 | 166.3 | 176.3 | -2.8 | 112.3 | E49 F50 D55 Q56 | E49-R52 PolarHBondContact O-N 3.46Å; F50-R52 PolarHBondContact O-N 2.06Å; R52-D55 WeakPolarHBondContact O-CB 3.48Å; R52-D55 PolarHBondContact O-N 3.44Å; R52-Q56 PolarHBondContact O-N 3.49Å |
| 53 | I | 74.6 | Confident | 69.7 | Low | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -63.3 | -44.3 | -180 | -62.6 | 169.6 | 0 | 0 | 0 | 110.5 | V17 E18 F21 F40 E49 F50 S51 D55 Q56 I57 | V17-I53 HydrophobicContact CG1-CD1 3.99Å; E18-I53 HydrophobicContact CG-CB 4.28Å; E18-I53 HydrophobicContact CG-CG1 3.62Å; E18-I53 HydrophobicContact CG-CG2 4.32Å; F21-I53 HydrophobicContact CD2-CG2 3.51Å; F21-I53 HydrophobicContact CE2-CG2 3.86Å; F40-I53 HydrophobicContact CD1-CD1 4.14Å; F40-I53 HydrophobicContact CE1-CD1 3.43Å; F40-I53 VanDerWaalsContact CE1-CD1 3.43Å; F40-I53 HydrophobicContact CE2-CD1 4.33Å; F40-I53 HydrophobicContact CZ-CD1 3.52Å; E49-I53 VanDerWaalsContact O-CG1 3.29Å; E49-I53 WeakPolarHBondContact O-CG1 3.35Å; E49-I53 PolarHBondContact O-N 3.49Å; E49-I53 VanDerWaalsContact O-N 3.17Å; F50-I53 WeakPolarHBondContact O-CB 3.22Å; F50-I53 PolarHBondContact O-N 3.25Å; F50-I53 VanDerWaalsContact O-N 3.16Å; S51-I53 VanDerWaalsContact C-N 3.35Å; S51-I53 PolarHBondContact O-N 3.41Å; I53-D55 VanDerWaalsContact C-N 3.32Å; I53-D55 PolarHBondContact O-N 2.91Å; I53-Q56 PolarHBondContact O-N 3.45Å; I53-I57 HydrophobicContact CG2-CD1 3.78Å; I53-I57 HydrophobicContact CG2-CG1 4.36Å; I53-I57 VanDerWaalsContact O-CG1 3.27Å; I53-I57 WeakPolarHBondContact O-CG1 3.45Å; I53-I57 PolarHBondContact O-N 3.46Å |
| 54 | V | 73.5 | Confident | 69.4 | Low | 1 Ų | 1 | 50.6 Ų | 50.6 | 1% | 0.006 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.8 | -40.2 | 178.2 | 172.7 | 0 | 0 | 0 | 0 | 111.3 | F50 S51 Q56 I57 L58 C78 L82 V92 | F50-V54 HydrophobicContact CD1-CG2 3.9Å; F50-V54 HydrophobicContact CD2-CG2 4.26Å; F50-V54 HydrophobicContact CE1-CG2 3.42Å; F50-V54 VanDerWaalsContact CE1-CG2 3.42Å; F50-V54 HydrophobicContact CE2-CG2 3.8Å; F50-V54 HydrophobicContact CG-CG2 4.3Å; F50-V54 HydrophobicContact CZ-CG2 3.36Å; F50-V54 WeakPolarHBondContact O-CG2 3.22Å; F50-V54 PolarHBondContact O-N 2.95Å; S51-V54 PolarHBondContact O-N 2.91Å; V54-Q56 VanDerWaalsContact C-N 3.32Å; V54-Q56 PolarHBondContact O-N 3.48Å; V54-I57 WeakPolarHBondContact O-CB 3.45Å; V54-I57 PolarHBondContact O-N 3.12Å; V54-L58 HydrophobicContact CG1-CD1 3.95Å; V54-L58 HydrophobicContact CG1-CG 4.18Å; V54-L58 WeakPolarHBondContact O-CG 3.28Å; V54-L58 PolarHBondContact O-N 2.91Å; V54-C78 HydrophobicContact CG1-CB 3.99Å; V54-C78 HydrophobicContact CG2-CB 3.85Å; V54-L82 HydrophobicContact CB-CD1 3.83Å; V54-L82 HydrophobicContact CG1-CD1 3.62Å; V54-L82 HydrophobicContact CG2-CD1 3.97Å; V54-L82 HydrophobicContact CG2-CG 4.33Å; V54-V92 HydrophobicContact CG1-CG1 4.07Å |
| 55 | D | 75.6 | Confident | 69.4 | Low | 42 Ų | 42 | 48.7 Ų | 48.7 | 23% | 0.225 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -58.9 | -45 | 178.6 | -157.6 | 38.1 | 0 | 0 | 0 | 111.5 | S51 R52 I53 L58 D59 V92 K95 | S51-D55 PolarHBondContact O-N 3.14Å; S51-D55 VanDerWaalsContact O-N 3.12Å; R52-D55 WeakPolarHBondContact O-CB 3.48Å; R52-D55 PolarHBondContact O-N 3.44Å; I53-D55 VanDerWaalsContact C-N 3.32Å; I53-D55 PolarHBondContact O-N 2.91Å; D55-L58 PolarHBondContact O-N 3.41Å; D55-D59 PolarHBondContact O-N 3.2Å; D55-V92 HydrophobicContact CB-CG2 3.89Å; D55-V92 WeakPolarHBondContact OD1-CG2 3.33Å; D55-K95 WeakPolarHBondContact OD1-CD 3.07Å; D55-K95 WeakPolarHBondContact OD1-CE 3.29Å; D55-K95 IonicContact OD1-NZ 3.13Å; D55-K95 PolarHBondContact OD1-NZ 3Å; D55-K95 IonicContact OD2-NZ 3.41Å; D55-K95 PolarHBondContact OD2-NZ 2.85Å |
| 56 | Q | 74.1 | Confident | 69 | Low | 63 Ų | 63 | 45.4 Ų | 45.4 | 29% | 0.294 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -69.1 | -35.6 | 174.8 | -66.7 | -170.2 | 12.2 | 0 | 0 | 113.8 | E18 Q22 R52 I53 V54 L58 D59 T60 | E18-Q56 PolarHBondContact OE1-NE2 2.99Å; E18-Q56 PolarHBondContact OE1-OE1 3.07Å; E18-Q56 PolarHBondContact OE2-NE2 3.24Å; E18-Q56 PolarHBondContact OE2-OE1 2.77Å; Q22-Q56 VanDerWaalsContact NE2-OE1 3.08Å; R52-Q56 PolarHBondContact O-N 3.49Å; I53-Q56 PolarHBondContact O-N 3.45Å; V54-Q56 VanDerWaalsContact C-N 3.32Å; V54-Q56 PolarHBondContact O-N 3.48Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; Q56-D59 PolarHBondContact O-N 2.7Å; Q56-T60 WeakPolarHBondContact O-CB 3.13Å; Q56-T60 PolarHBondContact O-N 3.29Å; Q56-T60 PolarHBondContact O-OG1 2.72Å |
| 57 | I | 74.3 | Confident | 68.4 | Low | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60.2 | -48.7 | 174 | -74.2 | 167.5 | 0 | 0 | 0 | 109.2 | F21 I53 V54 D59 T60 L61 F74 | F21-I57 HydrophobicContact CB-CD1 4.15Å; F21-I57 HydrophobicContact CB-CG1 4.13Å; F21-I57 HydrophobicContact CD2-CD1 4.01Å; F21-I57 HydrophobicContact CG-CD1 4.03Å; I53-I57 HydrophobicContact CG2-CD1 3.78Å; I53-I57 HydrophobicContact CG2-CG1 4.36Å; I53-I57 VanDerWaalsContact O-CG1 3.27Å; I53-I57 WeakPolarHBondContact O-CG1 3.45Å; I53-I57 PolarHBondContact O-N 3.46Å; V54-I57 WeakPolarHBondContact O-CB 3.45Å; V54-I57 PolarHBondContact O-N 3.12Å; I57-D59 PolarHBondContact O-N 3Å; I57-T60 WeakPolarHBondContact O-CB 3.23Å; I57-T60 PolarHBondContact O-N 3.42Å; I57-T60 VanDerWaalsContact O-N 3.17Å; I57-L61 HydrophobicContact CG2-CD1 3.84Å; I57-L61 HydrophobicContact CG2-CG 4.27Å; I57-L61 WeakPolarHBondContact O-CB 3.2Å; I57-L61 VanDerWaalsContact O-CG 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.38Å; I57-F74 HydrophobicContact CD1-CE1 4.18Å; I57-F74 HydrophobicContact CD1-CZ 4.01Å; I57-F74 HydrophobicContact CG2-CD1 4.22Å; I57-F74 HydrophobicContact CG2-CE1 3.58Å; I57-F74 HydrophobicContact CG2-CZ 4.42Å |
| 58 | L | 72.6 | Confident | 68 | Low | 1 Ų | 1 | 47.7 Ų | 47.7 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 179.2 | -68.5 | 174.1 | 0 | 0 | 0 | 111.6 | V54 D55 Q56 T60 L61 L62 A75 V92 K95 Y96 | V54-L58 HydrophobicContact CG1-CD1 3.95Å; V54-L58 HydrophobicContact CG1-CG 4.18Å; V54-L58 WeakPolarHBondContact O-CG 3.28Å; V54-L58 PolarHBondContact O-N 2.91Å; D55-L58 PolarHBondContact O-N 3.41Å; Q56-L58 VanDerWaalsContact C-N 3.34Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 PolarHBondContact O-N 2.9Å; L58-L61 PolarHBondContact O-N 2.94Å; L58-L62 WeakPolarHBondContact O-CB 3.09Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.21Å; L58-L62 PolarHBondContact O-N 2.98Å; L58-A75 HydrophobicContact CD2-CB 4.2Å; L58-V92 HydrophobicContact CD1-CG1 3.9Å; L58-K95 HydrophobicContact CB-CB 4.07Å; L58-K95 HydrophobicContact CD1-CB 4.09Å; L58-Y96 HydrophobicContact CD2-CD2 3.88Å |
| 59 | D | 75 | Confident | 67.7 | Low | 69 Ų | 69 | 49.4 Ų | 49.4 | 37% | 0.369 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -59.7 | -42.9 | 173.2 | -77.8 | -27.6 | 0 | 0 | 0 | 112.1 | D55 Q56 I57 L62 A63 K95 | D55-D59 PolarHBondContact O-N 3.2Å; Q56-D59 PolarHBondContact O-N 2.7Å; I57-D59 PolarHBondContact O-N 3Å; D59-L62 PolarHBondContact O-N 3.27Å; D59-A63 VanDerWaalsContact O-CB 3.23Å; D59-A63 WeakPolarHBondContact O-CB 3.21Å; D59-A63 PolarHBondContact O-N 2.65Å; D59-K95 VanDerWaalsContact CG-NZ 3.26Å; D59-K95 VanDerWaalsContact OD1-CD 3.26Å; D59-K95 WeakPolarHBondContact OD1-CD 3.3Å; D59-K95 WeakPolarHBondContact OD1-CE 3.44Å; D59-K95 IonicContact OD1-NZ 2.82Å; D59-K95 PolarHBondContact OD1-NZ 2.78Å; D59-K95 VanDerWaalsContact OD1-NZ 3.13Å; D59-K95 IonicContact OD2-NZ 2.7Å; D59-K95 PolarHBondContact OD2-NZ 3.13Å |
| 60 | T | 71.5 | Confident | 66.9 | Low | 21 Ų | 21 | 51.9 Ų | 51.9 | 13% | 0.129 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.2 | -43.6 | 178.4 | -58.6 | 0 | 0 | 0 | 0 | 111.3 | V25 Q56 I57 L58 A63 K64 | V25-T60 HydrophobicContact CG1-CG2 4.35Å; Q56-T60 WeakPolarHBondContact O-CB 3.13Å; Q56-T60 PolarHBondContact O-N 3.29Å; Q56-T60 PolarHBondContact O-OG1 2.72Å; I57-T60 WeakPolarHBondContact O-CB 3.23Å; I57-T60 PolarHBondContact O-N 3.42Å; I57-T60 VanDerWaalsContact O-N 3.17Å; L58-T60 VanDerWaalsContact C-N 3.32Å; L58-T60 PolarHBondContact O-N 2.9Å; T60-A63 PolarHBondContact O-N 2.94Å; T60-K64 PolarHBondContact O-N 3.36Å; T60-K64 VanDerWaalsContact O-N 3.11Å |
| 61 | L | 67.6 | Low | 66.3 | Low | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 177.8 | -71.2 | 177 | 0 | 0 | 0 | 111.9 | V25 I57 L58 V65 T71 A75 Y99 | V25-L61 HydrophobicContact CG1-CD2 3.72Å; I57-L61 HydrophobicContact CG2-CD1 3.84Å; I57-L61 HydrophobicContact CG2-CG 4.27Å; I57-L61 WeakPolarHBondContact O-CB 3.2Å; I57-L61 VanDerWaalsContact O-CG 3.25Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.38Å; L58-L61 PolarHBondContact O-N 2.94Å; L61-V65 HydrophobicContact CD2-CB 4.4Å; L61-V65 HydrophobicContact CD2-CG2 4.24Å; L61-T71 HydrophobicContact CD2-CG2 3.32Å; L61-A75 HydrophobicContact CD1-CB 3.93Å; L61-Y99 HydrophobicContact CB-CD2 3.74Å; L61-Y99 HydrophobicContact CB-CE2 3.53Å; L61-Y99 HydrophobicContact CD1-CE1 4.43Å; L61-Y99 HydrophobicContact CD1-CE2 4.41Å; L61-Y99 HydrophobicContact CG-CE2 4.39Å |
| 62 | L | 67.1 | Low | 65.9 | Low | 27 Ų | 27 | 50.8 Ų | 50.8 | 14% | 0.141 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -63.9 | -45.4 | 175.2 | -80 | 167.8 | 0 | 0 | 0 | 112 | L58 D59 K95 K98 Y99 K103 | L58-L62 WeakPolarHBondContact O-CB 3.09Å; L58-L62 VanDerWaalsContact O-CG 3.3Å; L58-L62 WeakPolarHBondContact O-CG 3.21Å; L58-L62 PolarHBondContact O-N 2.98Å; D59-L62 PolarHBondContact O-N 3.27Å; L62-K95 HydrophobicContact CD1-CB 4.12Å; L62-K95 HydrophobicContact CD1-CG 4.25Å; L62-K98 HydrophobicContact CD2-CB 4.22Å; L62-K98 HydrophobicContact CD2-CD 4.35Å; L62-K98 HydrophobicContact CD2-CG 3.99Å; L62-Y99 HydrophobicContact CD2-CD2 4.4Å; L62-Y99 HydrophobicContact CG-CD2 4.44Å; L62-K103 VanDerWaalsContact O-CE 3.32Å; L62-K103 WeakPolarHBondContact O-CE 3.31Å; L62-K103 PolarHBondContact O-NZ 3.29Å |
| 63 | A | 69.3 | Low | 65.5 | Low | 74 Ų | 74 | 43.4 Ų | 43.4 | 61% | 0.612 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -77.7 | -34.1 | -170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | D59 T60 | D59-A63 VanDerWaalsContact O-CB 3.23Å; D59-A63 WeakPolarHBondContact O-CB 3.21Å; D59-A63 PolarHBondContact O-N 2.65Å; T60-A63 PolarHBondContact O-N 2.94Å |
| 64 | K | 62.1 | Low | 65 | Low | 164 Ų | 164 | 43.4 Ų | 43.4 | 71% | 0.713 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -143.7 | 5.1 | -159.7 | -66.6 | -167.1 | 178.7 | -175.2 | 0 | 117.7 | T60 | T60-K64 PolarHBondContact O-N 3.36Å; T60-K64 VanDerWaalsContact O-N 3.11Å |
| 65 | V | 56.5 | Low | 64.7 | Low | 14 Ų | 14 | 43.3 Ų | 43.3 | 9% | 0.085 | 23% | 0.234 | C | C | . | . | trans | -118.5 | 117.8 | -178.1 | -170 | 0 | 0 | 0 | 0 | 110.7 | V25 L61 C67 T71 | V25-V65 HydrophobicContact CG1-CG2 3.94Å; L61-V65 HydrophobicContact CD2-CB 4.4Å; L61-V65 HydrophobicContact CD2-CG2 4.24Å; V65-C67 PolarHBondContact O-N 3.21Å; V65-T71 HydrophobicContact CG1-CG2 4.13Å | ||
| 66 | P | 54 | Low | 64.4 | Low | 94 Ų | 94 | 42.4 Ų | 42.4 | 61% | 0.61 | 23% | 0.228 | S | C | * | . | trans | -54.9 | 132.5 | 164.8 | -16.7 | 28 | 0 | 0 | 0 | 107.8 | Q68 | P66-Q68 PolarHBondContact O-N 3.33Š| ||
| 67 | C | 55.6 | Low | 64.1 | Low | 37 Ų | 37 | 43.3 Ų | 43.3 | 25% | 0.25 | 23% | 0.231 | C | C | . | . | trans | -60.4 | 116 | -173.9 | -160.5 | 0 | 0 | 0 | 0 | 111.1 | V65 K103 | V65-C67 PolarHBondContact O-N 3.21Å; C67-K103 HydrophobicContact CB-CB 3.69Å; C67-K103 WeakPolarHBondContact CB-O 3.23Å; C67-K103 PolarHBondContact SG-O 3Å | ||
| 68 | Q | 54.2 | Low | 63.9 | Low | 63 Ų | 63 | 43 Ų | 43 | 29% | 0.294 | 23% | 0.23 | S | C | . | . | trans | -108.6 | 149 | 170.1 | -63.3 | -177.2 | -51.5 | 0 | 0 | 107.9 | P66 E70 T71 A72 | P66-Q68 PolarHBondContact O-N 3.33Å; Q68-E70 PolarHBondContact O-N 3.47Å; Q68-T71 WeakPolarHBondContact CB-OG1 3.27Å; Q68-T71 PolarHBondContact N-OG1 2.73Å; Q68-T71 PolarHBondContact O-N 2.96Å; Q68-T71 VanDerWaalsContact O-N 3.1Å; Q68-T71 PolarHBondContact O-OG1 2.78Å; Q68-A72 PolarHBondContact O-N 3.1Å; Q68-A72 VanDerWaalsContact O-N 3.17Å | ||
| 69 | H | 58.5 | Low | 63.7 | Low | 91 Ų | 91 | 43.6 Ų | 43.6 | 42% | 0.421 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -51.6 | -45.4 | -178.7 | 173.7 | 57.8 | 0 | 0 | 0 | 111.5 | T71 A72 V73 L128 | H69-T71 PolarHBondContact O-N 2.73Å; H69-A72 WeakPolarHBondContact O-CB 3.35Å; H69-A72 PolarHBondContact O-N 3Å; H69-V73 VanDerWaalsContact O-CG2 3.3Å; H69-V73 WeakPolarHBondContact O-CG2 3.35Å; H69-V73 PolarHBondContact O-N 3.13Å; H69-L128 WeakPolarHBondContact ND1-CD2 3.47Å |
| 70 | E | 55.4 | Low | 63.4 | Low | 98 Ų | 98 | 42.6 Ų | 42.6 | 46% | 0.458 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -60.2 | -40.7 | -179.9 | -66 | 154.9 | -165.3 | 0 | 0 | 112.6 | V30 Q68 A72 V73 F74 | V30-E70 HydrophobicContact CB-CB 4.01Å; V30-E70 HydrophobicContact CG1-CB 4.09Å; V30-E70 WeakPolarHBondContact CG1-O 3.32Å; V30-E70 HydrophobicContact CG2-CB 4.2Å; Q68-E70 PolarHBondContact O-N 3.47Å; E70-A72 VanDerWaalsContact C-N 3.34Å; E70-A72 PolarHBondContact O-N 3.49Å; E70-V73 PolarHBondContact O-N 3.26Å; E70-F74 WeakPolarHBondContact O-CB 3.17Å; E70-F74 PolarHBondContact O-N 3.49Å |
| 71 | T | 60 | Low | 63.1 | Low | 1 Ų | 1 | 43.2 Ų | 43.2 | 1% | 0.006 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -70.7 | -31.8 | 178.5 | 18.9 | 0 | 0 | 0 | 0 | 112.2 | V30 L61 V65 Q68 H69 F74 A75 Y99 | V30-T71 HydrophobicContact CG1-CG2 4.44Å; V30-T71 HydrophobicContact CG2-CG2 3.82Å; L61-T71 HydrophobicContact CD2-CG2 3.32Å; V65-T71 HydrophobicContact CG1-CG2 4.13Å; Q68-T71 WeakPolarHBondContact CB-OG1 3.27Å; Q68-T71 PolarHBondContact N-OG1 2.73Å; Q68-T71 PolarHBondContact O-N 2.96Å; Q68-T71 VanDerWaalsContact O-N 3.1Å; Q68-T71 PolarHBondContact O-OG1 2.78Å; H69-T71 PolarHBondContact O-N 2.73Å; T71-F74 PolarHBondContact O-N 3.01Å; T71-A75 WeakPolarHBondContact O-CB 3.49Å; T71-A75 PolarHBondContact O-N 3.09Å; T71-Y99 WeakPolarHBondContact CB-OH 3.31Å |
| 72 | A | 60.4 | Low | 63.1 | Low | 2 Ų | 2 | 43.5 Ų | 43.5 | 2% | 0.017 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.7 | -40.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q68 H69 E70 K76 V104 L128 | Q68-A72 PolarHBondContact O-N 3.1Å; Q68-A72 VanDerWaalsContact O-N 3.17Å; H69-A72 WeakPolarHBondContact O-CB 3.35Å; H69-A72 PolarHBondContact O-N 3Å; E70-A72 VanDerWaalsContact C-N 3.34Å; E70-A72 PolarHBondContact O-N 3.49Å; A72-K76 PolarHBondContact O-N 3.14Å; A72-K76 VanDerWaalsContact O-N 3.13Å; A72-V104 HydrophobicContact CB-CG2 3.77Å; A72-L128 HydrophobicContact CB-CD1 4.38Å |
| 73 | V | 62.5 | Low | 63.1 | Low | 42 Ų | 42 | 44.6 Ų | 44.6 | 26% | 0.255 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63 | -45 | 174.5 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | H69 E70 K76 K77 L132 | H69-V73 VanDerWaalsContact O-CG2 3.3Å; H69-V73 WeakPolarHBondContact O-CG2 3.35Å; H69-V73 PolarHBondContact O-N 3.13Å; E70-V73 PolarHBondContact O-N 3.26Å; V73-K76 PolarHBondContact O-N 3.5Å; V73-K77 PolarHBondContact O-N 2.98Å; V73-L132 HydrophobicContact CB-CD2 4.19Å; V73-L132 HydrophobicContact CG1-CD2 4.21Å; V73-L132 HydrophobicContact CG2-CD1 4.33Å; V73-L132 HydrophobicContact CG2-CD2 3.95Å; V73-L132 HydrophobicContact CG2-CG 4.35Å |
| 74 | F | 65.1 | Low | 62.9 | Low | 1 Ų | 1 | 48.2 Ų | 48.2 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.4 | -49.1 | 178.1 | 178.5 | -121.7 | 0 | 0 | 0 | 112.3 | F21 V25 V30 A33 V34 V37 I57 E70 T71 K76 K77 C78 | F21-F74 HydrophobicContact CD1-CZ 4.43Å; V25-F74 HydrophobicContact CG2-CE1 4.07Å; V30-F74 HydrophobicContact CG1-CB 3.6Å; V30-F74 HydrophobicContact CG1-CG 4.08Å; A33-F74 HydrophobicContact CB-CE1 4.43Å; A33-F74 HydrophobicContact CB-CE2 4.26Å; A33-F74 HydrophobicContact CB-CZ 4.01Å; V34-F74 HydrophobicContact CB-CD2 4.2Å; V34-F74 HydrophobicContact CB-CE2 4.5Å; V34-F74 HydrophobicContact CG2-CB 4.16Å; V34-F74 HydrophobicContact CG2-CD2 3.37Å; V34-F74 HydrophobicContact CG2-CE2 4.09Å; V34-F74 HydrophobicContact CG2-CG 4.13Å; V37-F74 HydrophobicContact CB-CE2 4.22Å; V37-F74 HydrophobicContact CG2-CE2 3.61Å; V37-F74 HydrophobicContact CG2-CZ 3.68Å; I57-F74 HydrophobicContact CD1-CE1 4.18Å; I57-F74 HydrophobicContact CD1-CZ 4.01Å; I57-F74 HydrophobicContact CG2-CD1 4.22Å; I57-F74 HydrophobicContact CG2-CE1 3.58Å; I57-F74 HydrophobicContact CG2-CZ 4.42Å; E70-F74 WeakPolarHBondContact O-CB 3.17Å; E70-F74 PolarHBondContact O-N 3.49Å; T71-F74 PolarHBondContact O-N 3.01Å; F74-K76 PolarHBondContact O-N 3.3Å; F74-K77 PolarHBondContact O-N 3.35Å; F74-K77 VanDerWaalsContact O-N 3.1Å; F74-C78 PolarHBondContact O-N 2.91Å; F74-C78 PolarHBondContact O-SG 3.39Å |
| 75 | A | 67.6 | Low | 62.9 | Low | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.1 | -39.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L58 L61 T71 C78 Y79 Y96 Y99 | L58-A75 HydrophobicContact CD2-CB 4.2Å; L61-A75 HydrophobicContact CD1-CB 3.93Å; T71-A75 WeakPolarHBondContact O-CB 3.49Å; T71-A75 PolarHBondContact O-N 3.09Å; A75-C78 PolarHBondContact O-N 2.8Å; A75-Y79 PolarHBondContact O-N 2.87Å; A75-Y79 VanDerWaalsContact O-N 3.08Å; A75-Y96 HydrophobicContact CB-CD2 4.21Å; A75-Y96 HydrophobicContact CB-CE2 3.75Å; A75-Y96 WeakPolarHBondContact O-CE2 3.27Å; A75-Y99 HydrophobicContact CB-CD1 3.78Å; A75-Y99 HydrophobicContact CB-CE1 3.56Å |
| 76 | K | 68.4 | Low | 63.2 | Low | 22 Ų | 22 | 52.1 Ų | 52.1 | 10% | 0.096 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.3 | -47.2 | 174.9 | -172.4 | -174.6 | 179.8 | -78.4 | 0 | 112.2 | A72 V73 F74 C78 Y79 D80 Y96 L132 H133 | A72-K76 PolarHBondContact O-N 3.14Å; A72-K76 VanDerWaalsContact O-N 3.13Å; V73-K76 PolarHBondContact O-N 3.5Å; F74-K76 PolarHBondContact O-N 3.3Å; K76-C78 VanDerWaalsContact C-N 3.28Å; K76-C78 PolarHBondContact O-N 2.75Å; K76-Y79 PolarHBondContact O-N 3.18Å; K76-Y79 VanDerWaalsContact O-N 3.07Å; K76-D80 IonicContact NZ-OD1 3.56Å; K76-D80 IonicContact NZ-OD2 2.66Å; K76-D80 PolarHBondContact NZ-OD2 3.48Å; K76-D80 WeakPolarHBondContact O-CB 3.48Å; K76-D80 PolarHBondContact O-N 2.92Å; K76-Y96 WeakPolarHBondContact CA-OH 3.46Å; K76-Y96 WeakPolarHBondContact CB-OH 3.22Å; K76-L132 HydrophobicContact CB-CD2 4.02Å; K76-L132 HydrophobicContact CD-CB 3.73Å; K76-L132 HydrophobicContact CD-CD2 3.28Å; K76-L132 HydrophobicContact CD-CG 4.04Å; K76-L132 HydrophobicContact CG-CD2 4.26Å; K76-H133 PolarHBondContact NZ-O 3.49Å |
| 77 | K | 68.4 | Low | 63.5 | Low | 82 Ų | 82 | 53 Ų | 53 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -55.6 | -45.7 | 177.2 | -85.8 | -170.1 | 169.6 | -165.6 | 0 | 111.4 | V34 E38 V73 F74 Y79 D80 I81 | V34-K77 HydrophobicContact CG1-CD 3.78Å; E38-K77 IonicContact OE1-NZ 2.64Å; E38-K77 PolarHBondContact OE1-NZ 3.05Å; V73-K77 PolarHBondContact O-N 2.98Å; F74-K77 PolarHBondContact O-N 3.35Å; F74-K77 VanDerWaalsContact O-N 3.1Å; K77-Y79 VanDerWaalsContact C-N 3.32Å; K77-Y79 PolarHBondContact O-N 3.41Å; K77-D80 PolarHBondContact O-N 3.33Å; K77-I81 VanDerWaalsContact O-CD1 3.31Å; K77-I81 WeakPolarHBondContact O-CD1 3.35Å; K77-I81 WeakPolarHBondContact O-CG1 3.42Å; K77-I81 PolarHBondContact O-N 3.44Å |
| 78 | C | 69.4 | Low | 64 | Low | 1 Ų | 1 | 51.9 Ų | 51.9 | 1% | 0.007 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -57.3 | -45.6 | 175.3 | -68.6 | 0 | 0 | 0 | 0 | 112 | F50 V54 F74 A75 K76 I81 L82 | F50-C78 HydrophobicContact CZ-CB 4.41Å; V54-C78 HydrophobicContact CG1-CB 3.99Å; V54-C78 HydrophobicContact CG2-CB 3.85Å; F74-C78 PolarHBondContact O-N 2.91Å; F74-C78 PolarHBondContact O-SG 3.39Å; A75-C78 PolarHBondContact O-N 2.8Å; K76-C78 VanDerWaalsContact C-N 3.28Å; K76-C78 PolarHBondContact O-N 2.75Å; C78-I81 PolarHBondContact O-N 2.9Å; C78-L82 WeakPolarHBondContact O-CG 3.49Å; C78-L82 PolarHBondContact O-N 3.21Å |
| 79 | Y | 69.1 | Low | 64.5 | Low | 13 Ų | 13 | 51.2 Ų | 51.2 | 5% | 0.051 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -66.5 | -42.7 | 178.6 | -170.7 | -95.3 | 0 | 0 | 0 | 113.2 | A75 K76 K77 I81 L82 T83 V88 K93 Y96 | A75-Y79 PolarHBondContact O-N 2.87Å; A75-Y79 VanDerWaalsContact O-N 3.08Å; K76-Y79 PolarHBondContact O-N 3.18Å; K76-Y79 VanDerWaalsContact O-N 3.07Å; K77-Y79 VanDerWaalsContact C-N 3.32Å; K77-Y79 PolarHBondContact O-N 3.41Å; Y79-I81 VanDerWaalsContact C-N 3.31Å; Y79-I81 PolarHBondContact O-N 3.39Å; Y79-L82 PolarHBondContact O-N 3.32Å; Y79-T83 HydrophobicContact CD1-CG2 4.21Å; Y79-T83 HydrophobicContact CE1-CG2 3.66Å; Y79-T83 PolarHBondContact O-N 3.01Å; Y79-T83 PolarHBondContact O-OG1 3.5Å; Y79-V88 HydrophobicContact CE2-CG1 4.11Å; Y79-K93 HydrophobicContact CE2-CB 4.49Å; Y79-K93 HydrophobicContact CE2-CG 4.09Å; Y79-Y96 HydrophobicContact CD1-CD1 4.02Å; Y79-Y96 AromaticContact CD1-CE1 3.91Å; Y79-Y96 HydrophobicContact CD1-CE1 3.91Å; Y79-Y96 AromaticContact CD2-CD1 3.47Å; Y79-Y96 HydrophobicContact CD2-CD1 3.47Å; Y79-Y96 VanDerWaalsContact CD2-CD1 3.47Å; Y79-Y96 HydrophobicContact CD2-CD2 4.32Å; Y79-Y96 HydrophobicContact CD2-CE1 4.14Å; Y79-Y96 AromaticContact CD2-CG 3.58Å; Y79-Y96 HydrophobicContact CD2-CG 3.58Å; Y79-Y96 HydrophobicContact CE1-CD1 4.36Å; Y79-Y96 HydrophobicContact CE1-CE1 4.46Å; Y79-Y96 AromaticContact CE2-CD1 3.86Å; Y79-Y96 HydrophobicContact CE2-CD1 3.86Å; Y79-Y96 HydrophobicContact CE2-CG 4.21Å; Y79-Y96 AromaticContact CG-CD1 3.55Å; Y79-Y96 HydrophobicContact CG-CD1 3.55Å; Y79-Y96 HydrophobicContact CG-CD2 4.36Å; Y79-Y96 AromaticContact CG-CE1 3.72Å; Y79-Y96 HydrophobicContact CG-CE1 3.72Å; Y79-Y96 AromaticContact CG-CG 3.89Å; Y79-Y96 HydrophobicContact CG-CG 3.89Å |
| 80 | D | 68.1 | Low | 64.9 | Low | 48 Ų | 48 | 51.8 Ų | 51.8 | 26% | 0.257 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.4 | -41.8 | 177.2 | -71.9 | -13.2 | 0 | 0 | 0 | 110.7 | K76 K77 T83 L84 | K76-D80 IonicContact NZ-OD1 3.56Å; K76-D80 IonicContact NZ-OD2 2.66Å; K76-D80 PolarHBondContact NZ-OD2 3.48Å; K76-D80 WeakPolarHBondContact O-CB 3.48Å; K76-D80 PolarHBondContact O-N 2.92Å; K77-D80 PolarHBondContact O-N 3.33Å; D80-T83 VanDerWaalsContact CA-OG1 3.25Å; D80-T83 WeakPolarHBondContact CA-OG1 3.26Å; D80-T83 PolarHBondContact O-N 3.3Å; D80-T83 PolarHBondContact O-OG1 2.96Å; D80-T83 VanDerWaalsContact O-OG1 3.07Å; D80-L84 WeakPolarHBondContact O-CG 3.19Å; D80-L84 PolarHBondContact O-N 3.3Å |
| 81 | I | 66.6 | Low | 65.5 | Low | 34 Ų | 34 | 51.9 Ų | 51.9 | 17% | 0.174 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63 | -43.5 | 177 | -70.2 | 160.1 | 0 | 0 | 0 | 111.3 | V37 I41 F50 K77 C78 Y79 | V37-I81 HydrophobicContact CG1-CD1 4.21Å; I41-I81 HydrophobicContact CD1-CB 4.45Å; I41-I81 HydrophobicContact CD1-CD1 3.33Å; I41-I81 HydrophobicContact CD1-CG1 4.18Å; I41-I81 HydrophobicContact CD1-CG2 3.73Å; I41-I81 HydrophobicContact CG1-CG2 4.38Å; I41-I81 HydrophobicContact CG2-CG2 4.2Å; F50-I81 HydrophobicContact CD1-CG2 3.96Å; F50-I81 HydrophobicContact CE1-CB 3.96Å; F50-I81 HydrophobicContact CE1-CG2 3.48Å; F50-I81 VanDerWaalsContact CE1-CG2 3.48Å; F50-I81 HydrophobicContact CZ-CD1 4.41Å; F50-I81 HydrophobicContact CZ-CG2 4.26Å; K77-I81 VanDerWaalsContact O-CD1 3.31Å; K77-I81 WeakPolarHBondContact O-CD1 3.35Å; K77-I81 WeakPolarHBondContact O-CG1 3.42Å; K77-I81 PolarHBondContact O-N 3.44Å; C78-I81 PolarHBondContact O-N 2.9Å; Y79-I81 VanDerWaalsContact C-N 3.31Å; Y79-I81 PolarHBondContact O-N 3.39Å |
| 82 | L | 66.6 | Low | 65.8 | Low | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66.6 | -39.7 | 177.5 | -68.8 | 176.6 | 0 | 0 | 0 | 111.6 | F50 V54 C78 Y79 L84 K85 V88 V92 | F50-L82 HydrophobicContact CD1-CD2 3.71Å; F50-L82 HydrophobicContact CD1-CG 4.27Å; F50-L82 HydrophobicContact CE1-CD2 4.1Å; F50-L82 HydrophobicContact CE1-CG 4.13Å; V54-L82 HydrophobicContact CB-CD1 3.83Å; V54-L82 HydrophobicContact CG1-CD1 3.62Å; V54-L82 HydrophobicContact CG2-CD1 3.97Å; V54-L82 HydrophobicContact CG2-CG 4.33Å; C78-L82 WeakPolarHBondContact O-CG 3.49Å; C78-L82 PolarHBondContact O-N 3.21Å; Y79-L82 PolarHBondContact O-N 3.32Å; L82-L84 PolarHBondContact O-N 2.85Å; L82-K85 PolarHBondContact O-N 2.85Å; L82-V88 HydrophobicContact CB-CB 4.46Å; L82-V88 HydrophobicContact CB-CG1 4.33Å; L82-V88 HydrophobicContact CB-CG2 3.61Å; L82-V88 HydrophobicContact CD1-CG1 4.43Å; L82-V88 VanDerWaalsContact O-CG2 3.32Å; L82-V88 WeakPolarHBondContact O-CG2 3.35Å; L82-V92 HydrophobicContact CD1-CG1 3.7Å |
| 83 | T | 67.3 | Low | 66 | Low | 50 Ų | 50 | 53.1 Ų | 53.1 | 31% | 0.307 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70.1 | -28.9 | 179.9 | 33 | 0 | 0 | 0 | 0 | 113.6 | Y79 D80 K85 D86 V88 | Y79-T83 HydrophobicContact CD1-CG2 4.21Å; Y79-T83 HydrophobicContact CE1-CG2 3.66Å; Y79-T83 PolarHBondContact O-N 3.01Å; Y79-T83 PolarHBondContact O-OG1 3.5Å; D80-T83 VanDerWaalsContact CA-OG1 3.25Å; D80-T83 WeakPolarHBondContact CA-OG1 3.26Å; D80-T83 PolarHBondContact O-N 3.3Å; D80-T83 PolarHBondContact O-OG1 2.96Å; D80-T83 VanDerWaalsContact O-OG1 3.07Å; T83-K85 PolarHBondContact O-N 3.1Å; T83-K85 VanDerWaalsContact O-N 3.08Å; T83-D86 PolarHBondContact O-N 3.5Å; T83-V88 HydrophobicContact CG2-CG2 3.82Å |
| 84 | L | 66.1 | Low | 66.1 | Low | 151 Ų | 151 | 54.1 Ų | 54.1 | 79% | 0.791 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -18.3 | 173 | -78.6 | 166.8 | 0 | 0 | 0 | 113.8 | D80 L82 | D80-L84 WeakPolarHBondContact O-CG 3.19Å; D80-L84 PolarHBondContact O-N 3.3Å; L82-L84 PolarHBondContact O-N 2.85Å |
| 85 | K | 61.6 | Low | 66.2 | Low | 125 Ų | 125 | 56.1 Ų | 56.1 | 54% | 0.543 | 29% | 0.287 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 2.7 | -178.9 | -70.4 | -125 | 180 | -177 | 0 | 114.6 | L47 L82 T83 D87 | L47-K85 HydrophobicContact CD1-CD 4.32Å; L47-K85 HydrophobicContact CD2-CD 3.76Å; L47-K85 HydrophobicContact CD2-CG 3.96Å; L47-K85 HydrophobicContact CG-CD 4.43Å; L82-K85 PolarHBondContact O-N 2.85Å; T83-K85 PolarHBondContact O-N 3.1Å; T83-K85 VanDerWaalsContact O-N 3.08Å; K85-D87 HydrophobicContact CB-CB 4.45Å; K85-D87 PolarHBondContact O-N 3.24Å |
| 86 | D | 62.8 | Low | 66.2 | Low | 135 Ų | 135 | 56.5 Ų | 56.5 | 72% | 0.722 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.2 | 11.7 | -171.5 | -92.1 | -35.2 | 0 | 0 | 0 | 115.2 | T83 V88 | T83-D86 PolarHBondContact O-N 3.5Å; D86-V88 PolarHBondContact O-N 3.46Å |
| 87 | D | 60.3 | Low | 66 | Low | 113 Ų | 113 | 55.7 Ų | 55.7 | 60% | 0.604 | 29% | 0.286 | S | S | * | . | trans | -108.2 | 53.7 | -172.2 | -158.1 | 12.8 | 0 | 0 | 0 | 111.5 | K85 | K85-D87 HydrophobicContact CB-CB 4.45Å; K85-D87 PolarHBondContact O-N 3.24Å | ||
| 88 | V | 64.7 | Low | 65.8 | Low | 13 Ų | 13 | 56.2 Ų | 56.2 | 8% | 0.079 | 29% | 0.288 | C | S | . | . | trans | -106.9 | 109.9 | 179.1 | -162.5 | 0 | 0 | 0 | 0 | 109.4 | Y79 L82 T83 D86 V92 K93 | Y79-V88 HydrophobicContact CE2-CG1 4.11Å; L82-V88 HydrophobicContact CB-CB 4.46Å; L82-V88 HydrophobicContact CB-CG1 4.33Å; L82-V88 HydrophobicContact CB-CG2 3.61Å; L82-V88 HydrophobicContact CD1-CG1 4.43Å; L82-V88 VanDerWaalsContact O-CG2 3.32Å; L82-V88 WeakPolarHBondContact O-CG2 3.35Å; T83-V88 HydrophobicContact CG2-CG2 3.82Å; D86-V88 PolarHBondContact O-N 3.46Å; V88-V92 HydrophobicContact CG1-CB 4.19Å; V88-V92 HydrophobicContact CG1-CG1 3.96Å; V88-K93 HydrophobicContact CB-CG 4.3Å; V88-K93 HydrophobicContact CG1-CD 4.5Å; V88-K93 HydrophobicContact CG1-CG 3.67Å; V88-K93 WeakPolarHBondContact O-CE 3.09Å; V88-K93 PolarHBondContact O-NZ 2.87Å | ||
| 89 | S | 66.4 | Low | 65.7 | Low | 49 Ų | 49 | 56.1 Ų | 56.1 | 34% | 0.343 | 29% | 0.288 | S | S | . | . | trans | -59.3 | 151 | 174.3 | 70.8 | 0 | 0 | 0 | 0 | 111.1 | D91 V92 K93 | S89-D91 VanDerWaalsContact C-N 3.27Å; S89-D91 PolarHBondContact O-N 2.82Å; S89-V92 PolarHBondContact O-N 3.01Å; S89-V92 VanDerWaalsContact OG-CG2 3.25Å; S89-V92 WeakPolarHBondContact OG-CG2 3.33Å; S89-V92 PolarHBondContact OG-N 2.9Å; S89-K93 WeakPolarHBondContact O-CG 3.07Å; S89-K93 PolarHBondContact O-N 3.31Å | ||
| 90 | L | 65.8 | Low | 65.4 | Low | 102 Ų | 102 | 56.3 Ų | 56.3 | 53% | 0.534 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.6 | -38.9 | -177.8 | -142.8 | 111.8 | 0 | 0 | 0 | 111.4 | V92 K93 E94 | L90-V92 PolarHBondContact O-N 3.23Å; L90-K93 WeakPolarHBondContact O-CB 3.37Å; L90-K93 PolarHBondContact O-N 3.31Å; L90-K93 VanDerWaalsContact O-N 3.14Å; L90-E94 PolarHBondContact O-N 3.47Å |
| 91 | D | 67.5 | Low | 65.1 | Low | 101 Ų | 101 | 55.1 Ų | 55.1 | 54% | 0.54 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -58.6 | -45.2 | 177.5 | -67 | -58.1 | 0 | 0 | 0 | 112.4 | S89 K93 E94 K95 | S89-D91 VanDerWaalsContact C-N 3.27Å; S89-D91 PolarHBondContact O-N 2.82Å; D91-K93 VanDerWaalsContact C-N 3.3Å; D91-K93 PolarHBondContact O-N 3.33Å; D91-E94 PolarHBondContact O-N 3.05Å; D91-K95 WeakPolarHBondContact O-CG 3.49Å; D91-K95 PolarHBondContact O-N 2.93Å |
| 92 | V | 66.5 | Low | 65 | Low | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -64.1 | -38.4 | 177.8 | 171.2 | 0 | 0 | 0 | 0 | 110.6 | V54 D55 L58 L82 V88 S89 L90 Y96 | V54-V92 HydrophobicContact CG1-CG1 4.07Å; D55-V92 HydrophobicContact CB-CG2 3.89Å; D55-V92 WeakPolarHBondContact OD1-CG2 3.33Å; L58-V92 HydrophobicContact CD1-CG1 3.9Å; L82-V92 HydrophobicContact CD1-CG1 3.7Å; V88-V92 HydrophobicContact CG1-CB 4.19Å; V88-V92 HydrophobicContact CG1-CG1 3.96Å; S89-V92 PolarHBondContact O-N 3.01Å; S89-V92 VanDerWaalsContact OG-CG2 3.25Å; S89-V92 WeakPolarHBondContact OG-CG2 3.33Å; S89-V92 PolarHBondContact OG-N 2.9Å; L90-V92 PolarHBondContact O-N 3.23Å; V92-Y96 VanDerWaalsContact O-CB 3.27Å; V92-Y96 WeakPolarHBondContact O-CB 3.44Å; V92-Y96 PolarHBondContact O-N 3.46Å |
| 93 | K | 64.6 | Low | 64.9 | Low | 28 Ų | 28 | 60.8 Ų | 60.8 | 12% | 0.122 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.5 | -47 | 175.3 | -62.5 | 175.8 | -179.1 | 166.9 | 0 | 111.1 | Y79 V88 S89 L90 D91 Y96 A97 W145 | Y79-K93 HydrophobicContact CE2-CB 4.49Å; Y79-K93 HydrophobicContact CE2-CG 4.09Å; V88-K93 HydrophobicContact CB-CG 4.3Å; V88-K93 HydrophobicContact CG1-CD 4.5Å; V88-K93 HydrophobicContact CG1-CG 3.67Å; V88-K93 WeakPolarHBondContact O-CE 3.09Å; V88-K93 PolarHBondContact O-NZ 2.87Å; S89-K93 WeakPolarHBondContact O-CG 3.07Å; S89-K93 PolarHBondContact O-N 3.31Å; L90-K93 WeakPolarHBondContact O-CB 3.37Å; L90-K93 PolarHBondContact O-N 3.31Å; L90-K93 VanDerWaalsContact O-N 3.14Å; D91-K93 VanDerWaalsContact C-N 3.3Å; D91-K93 PolarHBondContact O-N 3.33Å; K93-Y96 PolarHBondContact O-N 3.21Å; K93-A97 PolarHBondContact O-N 3.5Å; K93-W145 HydrophobicContact CB-CZ2 3.91Å; K93-W145 WeakPolarHBondContact O-CH2 3.24Å; K93-W145 WeakPolarHBondContact O-CZ2 3.38Å |
| 94 | E | 64.7 | Low | 64.3 | Low | 63 Ų | 63 | 58.7 Ų | 58.7 | 29% | 0.294 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.8 | -46.7 | 179.6 | -73.2 | -171.7 | 176.1 | 0 | 0 | 111.7 | L90 D91 Y96 A97 K98 L148 | L90-E94 PolarHBondContact O-N 3.47Å; D91-E94 PolarHBondContact O-N 3.05Å; E94-Y96 VanDerWaalsContact C-N 3.34Å; E94-Y96 PolarHBondContact O-N 2.96Å; E94-A97 PolarHBondContact O-N 3.31Å; E94-K98 WeakPolarHBondContact O-CB 3.07Å; E94-K98 PolarHBondContact O-N 3.17Å; E94-L148 HydrophobicContact CG-CD1 4.31Å |
| 95 | K | 67.6 | Low | 63.4 | Low | 43 Ų | 43 | 56.2 Ų | 56.2 | 19% | 0.187 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.6 | -73.1 | -179.1 | -171 | 174.2 | 0 | 112 | D55 L58 D59 L62 D91 A97 K98 Y99 | D55-K95 WeakPolarHBondContact OD1-CD 3.07Å; D55-K95 WeakPolarHBondContact OD1-CE 3.29Å; D55-K95 IonicContact OD1-NZ 3.13Å; D55-K95 PolarHBondContact OD1-NZ 3Å; D55-K95 IonicContact OD2-NZ 3.41Å; D55-K95 PolarHBondContact OD2-NZ 2.85Å; L58-K95 HydrophobicContact CB-CB 4.07Å; L58-K95 HydrophobicContact CD1-CB 4.09Å; D59-K95 VanDerWaalsContact CG-NZ 3.26Å; D59-K95 VanDerWaalsContact OD1-CD 3.26Å; D59-K95 WeakPolarHBondContact OD1-CD 3.3Å; D59-K95 WeakPolarHBondContact OD1-CE 3.44Å; D59-K95 IonicContact OD1-NZ 2.82Å; D59-K95 PolarHBondContact OD1-NZ 2.78Å; D59-K95 VanDerWaalsContact OD1-NZ 3.13Å; D59-K95 IonicContact OD2-NZ 2.7Å; D59-K95 PolarHBondContact OD2-NZ 3.13Å; L62-K95 HydrophobicContact CD1-CB 4.12Å; L62-K95 HydrophobicContact CD1-CG 4.25Å; D91-K95 WeakPolarHBondContact O-CG 3.49Å; D91-K95 PolarHBondContact O-N 2.93Å; K95-A97 PolarHBondContact O-N 3Å; K95-K98 PolarHBondContact O-N 3.45Å; K95-Y99 WeakPolarHBondContact O-CB 3.44Å; K95-Y99 PolarHBondContact O-N 3.46Å |
| 96 | Y | 68.6 | Low | 62.8 | Low | 9 Ų | 9 | 52.7 Ų | 52.7 | 4% | 0.035 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 178.7 | -178.4 | -111 | 0 | 0 | 0 | 111.5 | L58 A75 K76 Y79 V92 K93 E94 Y99 I100 V136 | L58-Y96 HydrophobicContact CD2-CD2 3.88Å; A75-Y96 HydrophobicContact CB-CD2 4.21Å; A75-Y96 HydrophobicContact CB-CE2 3.75Å; A75-Y96 WeakPolarHBondContact O-CE2 3.27Å; K76-Y96 WeakPolarHBondContact CA-OH 3.46Å; K76-Y96 WeakPolarHBondContact CB-OH 3.22Å; Y79-Y96 HydrophobicContact CD1-CD1 4.02Å; Y79-Y96 AromaticContact CD1-CE1 3.91Å; Y79-Y96 HydrophobicContact CD1-CE1 3.91Å; Y79-Y96 AromaticContact CD2-CD1 3.47Å; Y79-Y96 HydrophobicContact CD2-CD1 3.47Å; Y79-Y96 VanDerWaalsContact CD2-CD1 3.47Å; Y79-Y96 HydrophobicContact CD2-CD2 4.32Å; Y79-Y96 HydrophobicContact CD2-CE1 4.14Å; Y79-Y96 AromaticContact CD2-CG 3.58Å; Y79-Y96 HydrophobicContact CD2-CG 3.58Å; Y79-Y96 HydrophobicContact CE1-CD1 4.36Å; Y79-Y96 HydrophobicContact CE1-CE1 4.46Å; Y79-Y96 AromaticContact CE2-CD1 3.86Å; Y79-Y96 HydrophobicContact CE2-CD1 3.86Å; Y79-Y96 HydrophobicContact CE2-CG 4.21Å; Y79-Y96 AromaticContact CG-CD1 3.55Å; Y79-Y96 HydrophobicContact CG-CD1 3.55Å; Y79-Y96 HydrophobicContact CG-CD2 4.36Å; Y79-Y96 AromaticContact CG-CE1 3.72Å; Y79-Y96 HydrophobicContact CG-CE1 3.72Å; Y79-Y96 AromaticContact CG-CG 3.89Å; Y79-Y96 HydrophobicContact CG-CG 3.89Å; V92-Y96 VanDerWaalsContact O-CB 3.27Å; V92-Y96 WeakPolarHBondContact O-CB 3.44Å; V92-Y96 PolarHBondContact O-N 3.46Å; K93-Y96 PolarHBondContact O-N 3.21Å; E94-Y96 VanDerWaalsContact C-N 3.34Å; E94-Y96 PolarHBondContact O-N 2.96Å; Y96-Y99 PolarHBondContact O-N 3.34Å; Y96-I100 HydrophobicContact CD1-CG1 4.26Å; Y96-I100 HydrophobicContact CD2-CG1 4.32Å; Y96-I100 HydrophobicContact CE1-CD1 4.41Å; Y96-I100 HydrophobicContact CE1-CG1 3.82Å; Y96-I100 HydrophobicContact CE2-CD1 4.11Å; Y96-I100 HydrophobicContact CE2-CG1 3.87Å; Y96-I100 HydrophobicContact CG-CG1 4.5Å; Y96-I100 WeakPolarHBondContact O-CB 2.98Å; Y96-I100 VanDerWaalsContact O-CG1 3.23Å; Y96-I100 WeakPolarHBondContact O-CG1 3.45Å; Y96-I100 PolarHBondContact O-N 2.9Å; Y96-V136 HydrophobicContact CE1-CG2 4.46Å |
| 97 | A | 62.8 | Low | 62.3 | Low | 5 Ų | 5 | 47.7 Ų | 47.7 | 4% | 0.041 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.8 | -40.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | K93 E94 K95 Y99 I100 L101 I124 W145 | K93-A97 PolarHBondContact O-N 3.5Å; E94-A97 PolarHBondContact O-N 3.31Å; K95-A97 PolarHBondContact O-N 3Å; A97-Y99 PolarHBondContact O-N 3.39Å; A97-I100 CarbonylContact O-C 3.57Å; A97-I100 PolarHBondContact O-N 3.1Å; A97-I100 VanDerWaalsContact O-N 3.14Å; A97-L101 HydrophobicContact CB-CD1 4.39Å; A97-L101 WeakPolarHBondContact O-CB 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.42Å; A97-L101 PolarHBondContact O-N 3.5Å; A97-I124 HydrophobicContact CB-CD1 4.32Å; A97-W145 HydrophobicContact CB-CE3 4.34Å; A97-W145 HydrophobicContact CB-CH2 2.99Å; A97-W145 HydrophobicContact CB-CZ2 4.23Å; A97-W145 HydrophobicContact CB-CZ3 3.04Å |
| 98 | K | 65 | Low | 61.5 | Low | 92 Ų | 92 | 45.2 Ų | 45.2 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -55.1 | -44.4 | 175.4 | -169.1 | 176.3 | -178.6 | -179.2 | 0 | 110.1 | L62 E94 K95 L101 E102 | L62-K98 HydrophobicContact CD2-CB 4.22Å; L62-K98 HydrophobicContact CD2-CD 4.35Å; L62-K98 HydrophobicContact CD2-CG 3.99Å; E94-K98 WeakPolarHBondContact O-CB 3.07Å; E94-K98 PolarHBondContact O-N 3.17Å; K95-K98 PolarHBondContact O-N 3.45Å; K98-L101 PolarHBondContact O-N 3.21Å; K98-E102 WeakPolarHBondContact CE-OE1 3.31Å; K98-E102 HydrophobicContact CG-CG 4.17Å; K98-E102 WeakPolarHBondContact CG-OE1 3.49Å; K98-E102 IonicContact NZ-OE1 3.98Å; K98-E102 VanDerWaalsContact O-CB 3.28Å; K98-E102 WeakPolarHBondContact O-CB 3.4Å; K98-E102 WeakPolarHBondContact O-CG 3.24Å; K98-E102 PolarHBondContact O-N 3.5Å |
| 99 | Y | 67.2 | Low | 60.4 | Low | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.4 | -49.8 | 175.7 | 176.8 | -103.4 | 0 | 0 | 0 | 111.9 | L61 L62 T71 A75 K95 Y96 A97 L101 K103 | L61-Y99 HydrophobicContact CB-CD2 3.74Å; L61-Y99 HydrophobicContact CB-CE2 3.53Å; L61-Y99 HydrophobicContact CD1-CE1 4.43Å; L61-Y99 HydrophobicContact CD1-CE2 4.41Å; L61-Y99 HydrophobicContact CG-CE2 4.39Å; L62-Y99 HydrophobicContact CD2-CD2 4.4Å; L62-Y99 HydrophobicContact CG-CD2 4.44Å; T71-Y99 WeakPolarHBondContact CB-OH 3.31Å; A75-Y99 HydrophobicContact CB-CD1 3.78Å; A75-Y99 HydrophobicContact CB-CE1 3.56Å; K95-Y99 WeakPolarHBondContact O-CB 3.44Å; K95-Y99 PolarHBondContact O-N 3.46Å; Y96-Y99 PolarHBondContact O-N 3.34Å; A97-Y99 PolarHBondContact O-N 3.39Å; Y99-L101 VanDerWaalsContact C-N 3.33Å; Y99-L101 PolarHBondContact O-N 3.48Å; Y99-K103 HydrophobicContact CD2-CB 4.06Å; Y99-K103 HydrophobicContact CD2-CG 3.69Å; Y99-K103 HydrophobicContact CE2-CB 3.82Å; Y99-K103 HydrophobicContact CE2-CG 3.74Å; Y99-K103 WeakPolarHBondContact O-CB 3.45Å; Y99-K103 PolarHBondContact O-N 2.85Å |
| 100 | I | 63.6 | Low | 59.1 | Low | 16 Ų | 16 | 46.9 Ų | 46.9 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -58 | -44.5 | 177.9 | -76 | -67.8 | 0 | 0 | 0 | 110.8 | Y96 A97 V104 K107 I124 | Y96-I100 HydrophobicContact CD1-CG1 4.26Å; Y96-I100 HydrophobicContact CD2-CG1 4.32Å; Y96-I100 HydrophobicContact CE1-CD1 4.41Å; Y96-I100 HydrophobicContact CE1-CG1 3.82Å; Y96-I100 HydrophobicContact CE2-CD1 4.11Å; Y96-I100 HydrophobicContact CE2-CG1 3.87Å; Y96-I100 HydrophobicContact CG-CG1 4.5Å; Y96-I100 WeakPolarHBondContact O-CB 2.98Å; Y96-I100 VanDerWaalsContact O-CG1 3.23Å; Y96-I100 WeakPolarHBondContact O-CG1 3.45Å; Y96-I100 PolarHBondContact O-N 2.9Å; A97-I100 CarbonylContact O-C 3.57Å; A97-I100 PolarHBondContact O-N 3.1Å; A97-I100 VanDerWaalsContact O-N 3.14Å; I100-V104 HydrophobicContact CD1-CG2 4.39Å; I100-V104 PolarHBondContact O-N 3.06Å; I100-K107 VanDerWaalsContact CB-NZ 3.35Å; I100-K107 HydrophobicContact CG2-CD 3.78Å; I100-K107 VanDerWaalsContact O-CD 3.31Å; I100-K107 WeakPolarHBondContact O-CD 3.25Å; I100-K107 WeakPolarHBondContact O-CE 3.47Å; I100-K107 WeakPolarHBondContact O-CG 3.36Å; I100-K107 PolarHBondContact O-NZ 3.3Å; I100-I124 HydrophobicContact CG2-CB 4.12Å; I100-I124 HydrophobicContact CG2-CD1 3.66Å; I100-I124 HydrophobicContact CG2-CG1 4.47Å; I100-I124 HydrophobicContact CG2-CG2 3.56Å |
| 101 | L | 60.3 | Low | 57.9 | Low | 24 Ų | 24 | 43.9 Ų | 43.9 | 13% | 0.126 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -74.1 | -45.3 | -176.6 | -67.2 | 168.5 | 0 | 0 | 0 | 112.8 | A97 K98 Y99 V109 I124 L149 | A97-L101 HydrophobicContact CB-CD1 4.39Å; A97-L101 WeakPolarHBondContact O-CB 3.42Å; A97-L101 WeakPolarHBondContact O-CG 3.42Å; A97-L101 PolarHBondContact O-N 3.5Å; K98-L101 PolarHBondContact O-N 3.21Å; Y99-L101 VanDerWaalsContact C-N 3.33Å; Y99-L101 PolarHBondContact O-N 3.48Å; L101-V109 HydrophobicContact CD2-CG2 3.25Å; L101-I124 HydrophobicContact CD2-CD1 4.1Å; L101-I124 HydrophobicContact CD2-CG2 4.48Å; L101-I124 HydrophobicContact CG-CD1 4.28Å; L101-L149 HydrophobicContact CD1-CD2 3.63Å; L101-L149 HydrophobicContact CD2-CD2 4.37Å |
| 102 | E | 65.4 | Low | 56.3 | Low | 90 Ų | 90 | 43.8 Ų | 43.8 | 42% | 0.421 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -80.6 | -30 | -174.1 | -69.2 | -177.8 | 177.1 | 0 | 0 | 113 | K98 | K98-E102 WeakPolarHBondContact CE-OE1 3.31Å; K98-E102 HydrophobicContact CG-CG 4.17Å; K98-E102 WeakPolarHBondContact CG-OE1 3.49Å; K98-E102 IonicContact NZ-OE1 3.98Å; K98-E102 VanDerWaalsContact O-CB 3.28Å; K98-E102 WeakPolarHBondContact O-CB 3.4Å; K98-E102 WeakPolarHBondContact O-CG 3.24Å; K98-E102 PolarHBondContact O-N 3.5Å |
| 103 | K | 63.2 | Low | 54.8 | Low | 67 Ų | 67 | 48.8 Ų | 48.8 | 29% | 0.291 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -103.4 | -40 | -167.9 | -59.3 | -58.2 | -174.7 | -175.7 | 0 | 112.6 | L62 C67 Y99 P105 | L62-K103 VanDerWaalsContact O-CE 3.32Å; L62-K103 WeakPolarHBondContact O-CE 3.31Å; L62-K103 PolarHBondContact O-NZ 3.29Å; C67-K103 HydrophobicContact CB-CB 3.69Å; C67-K103 WeakPolarHBondContact CB-O 3.23Å; C67-K103 PolarHBondContact SG-O 3Å; Y99-K103 HydrophobicContact CD2-CB 4.06Å; Y99-K103 HydrophobicContact CD2-CG 3.69Å; Y99-K103 HydrophobicContact CE2-CB 3.82Å; Y99-K103 HydrophobicContact CE2-CG 3.74Å; Y99-K103 WeakPolarHBondContact O-CB 3.45Å; Y99-K103 PolarHBondContact O-N 2.85Å; K103-P105 WeakPolarHBondContact O-CD 3.21Å |
| 104 | V | 56.4 | Low | 53.2 | Low | 7 Ų | 7 | 49.2 Ų | 49.2 | 4% | 0.042 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -85.7 | 122.5 | -172.6 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | A72 I100 K107 L128 | A72-V104 HydrophobicContact CB-CG2 3.77Å; I100-V104 HydrophobicContact CD1-CG2 4.39Å; I100-V104 PolarHBondContact O-N 3.06Å; V104-K107 HydrophobicContact CB-CD 4.11Å; V104-K107 HydrophobicContact CB-CG 3.92Å; V104-K107 HydrophobicContact CG1-CD 4.35Å; V104-K107 HydrophobicContact CG1-CG 4.19Å; V104-K107 WeakPolarHBondContact O-CG 3.45Å; V104-L128 HydrophobicContact CG1-CD1 3.71Å; V104-L128 HydrophobicContact CG1-CG 4.44Å |
| 105 | P | 47.2 | Very low | 51.8 | Low | 98 Ų | 98 | 58.9 Ų | 58.9 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.4 | 146.8 | 178.5 | 26.3 | -31.9 | 0 | 0 | 0 | 112.4 | K103 | K103-P105 WeakPolarHBondContact O-CD 3.21Š|
| 106 | G | 48.3 | Very low | 50.1 | Low | 52 Ų | 52 | 64 Ų | 64 | 54% | 0.536 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | 16.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | P127 | G106-P127 WeakPolarHBondContact O-CD 3.35Š|
| 107 | K | 52.7 | Low | 48.6 | Very low | 30 Ų | 30 | 69.6 Ų | 69.6 | 13% | 0.13 | 38% | 0.379 | C | S | . | . | trans | -72.4 | 129.9 | -179.7 | -67.1 | -97.2 | 160.7 | 101.4 | 0 | 111.9 | I100 V104 I124 L125 S126 | I100-K107 VanDerWaalsContact CB-NZ 3.35Å; I100-K107 HydrophobicContact CG2-CD 3.78Å; I100-K107 VanDerWaalsContact O-CD 3.31Å; I100-K107 WeakPolarHBondContact O-CD 3.25Å; I100-K107 WeakPolarHBondContact O-CE 3.47Å; I100-K107 WeakPolarHBondContact O-CG 3.36Å; I100-K107 PolarHBondContact O-NZ 3.3Å; V104-K107 HydrophobicContact CB-CD 4.11Å; V104-K107 HydrophobicContact CB-CG 3.92Å; V104-K107 HydrophobicContact CG1-CD 4.35Å; V104-K107 HydrophobicContact CG1-CG 4.19Å; V104-K107 WeakPolarHBondContact O-CG 3.45Å; K107-I124 HydrophobicContact CB-CG2 4.47Å; K107-I124 HydrophobicContact CD-CG2 3.4Å; K107-I124 VanDerWaalsContact CD-CG2 3.4Å; K107-L125 CarbonylContact C-O 3.47Å; K107-L125 VanDerWaalsContact CA-O 3.28Å; K107-L125 WeakPolarHBondContact CA-O 3.28Å; K107-S126 VanDerWaalsContact CE-CB 3.43Å; K107-S126 WeakPolarHBondContact CE-OG 3.3Å | ||
| 108 | T | 42.1 | Very low | 47.3 | Very low | 61 Ų | 61 | 74.3 Ų | 74.3 | 37% | 0.374 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 120.4 | 167 | 6.9 | 0 | 0 | 0 | 0 | 109.2 | L125 | T108-L125 PolarHBondContact N-O 3.38Å; T108-L125 PolarHBondContact O-N 3.36Å |
| 109 | V | 42.8 | Very low | 46.2 | Very low | 26 Ų | 26 | 70.7 Ų | 70.7 | 16% | 0.158 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 106.6 | 173.4 | -172.3 | 0 | 0 | 0 | 0 | 108.7 | L101 C122 L123 I124 L149 | L101-V109 HydrophobicContact CD2-CG2 3.25Å; V109-C122 HydrophobicContact CG1-CB 3.88Å; V109-L123 CarbonylContact C-O 3.39Å; V109-L123 WeakPolarHBondContact CA-O 2.82Å; V109-I124 HydrophobicContact CG1-CG1 4.31Å; V109-I124 HydrophobicContact CG2-CG1 4.18Å; V109-I124 HydrophobicContact CG2-CG2 4.47Å; V109-L149 HydrophobicContact CG1-CD1 3.88Å; V109-L149 HydrophobicContact CG1-CD2 4.31Å; V109-L149 HydrophobicContact CG2-CD2 4.28Å |
| 110 | Q | 38.5 | Very low | 44.6 | Very low | 70 Ų | 70 | 77 Ų | 77 | 33% | 0.327 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 101.1 | 170.5 | -77.5 | -172.5 | -9.2 | 0 | 0 | 110.3 | L112 C122 L123 L125 | Q110-L112 PolarHBondContact O-N 2.66Å; Q110-C122 CarbonylContact O-C 3.55Å; Q110-L123 HydrophobicContact CB-CB 4.18Å; Q110-L123 PolarHBondContact N-O 2.86Å; Q110-L123 WeakPolarHBondContact O-CB 3.36Å; Q110-L123 PolarHBondContact O-N 3.44Å; Q110-L125 VanDerWaalsContact CD-CD1 3.42Å; Q110-L125 HydrophobicContact CG-CD1 4.01Å; Q110-L125 VanDerWaalsContact OE1-CD1 3.28Å |
| 111 | C | 40.1 | Very low | 43.4 | Very low | 40 Ų | 40 | 77.9 Ų | 77.9 | 27% | 0.27 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 113.4 | 170 | -66.7 | 0 | 0 | 0 | 0 | 110.8 | T113 A119 T121 C122 | C111-T113 PolarHBondContact O-N 2.85Å; C111-A119 HydrophobicContact CB-CB 4.02Å; C111-T121 CarbonylContact C-O 3.6Å; C111-C122 HydrophobicContact CB-CB 4.13Å; C111-C122 WeakPolarHBondContact CB-SG 3.42Å; C111-C122 WeakPolarHBondContact SG-CB 3.36Å; C111-C122 CovalentContact SG-SG 2.06Å; C111-C122 PolarHBondContact SG-SG 2.91Å |
| 112 | L | 34.1 | Very low | 42.4 | Very low | 98 Ų | 98 | 77.1 Ų | 77.1 | 51% | 0.513 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 106.5 | 168.9 | -71.9 | 174.6 | 0 | 0 | 0 | 108.5 | Q110 T121 L123 | Q110-L112 PolarHBondContact O-N 2.66Å; L112-T121 WeakPolarHBondContact CA-O 3.48Å; L112-T121 PolarHBondContact N-O 3.17Å; L112-L123 HydrophobicContact CD1-CD1 3.54Å; L112-L123 HydrophobicContact CG-CD1 4.03Å |
| 113 | T | 34.8 | Very low | 41.3 | Very low | 106 Ų | 106 | 75.3 Ų | 75.3 | 65% | 0.65 | 41% | 0.412 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 116.7 | 167.3 | 36.4 | 0 | 0 | 0 | 0 | 109.4 | C111 A119 | C111-T113 PolarHBondContact O-N 2.85Å; T113-A119 HydrophobicContact CG2-CB 4.09Å |
| 114 | G | 32.4 | Very low | 40.5 | Very low | 37 Ų | 37 | 73.2 Ų | 73.2 | 38% | 0.381 | 40% | 0.404 | S | S | . | . | trans | -69.2 | 160.4 | 165.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q116 | G114-Q116 CarbonylContact O-C 3.57Å; G114-Q116 PolarHBondContact O-N 3.29Å | ||
| 115 | R | 34 | Very low | 39.7 | Very low | 266 Ų | 266 | 75.5 Ų | 75.5 | 100% | 1.004 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -51.7 | -10.1 | -177 | -88.8 | -174.8 | 176.6 | 179 | -0.7 | 116.4 | ||
| 116 | Q | 33.2 | Very low | 39.2 | Very low | 150 Ų | 150 | 71.4 Ų | 71.4 | 70% | 0.701 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -115 | 99.3 | 169.5 | -69.8 | -180 | -13.2 | 0 | 0 | 108.1 | G114 M118 | G114-Q116 CarbonylContact O-C 3.57Å; G114-Q116 PolarHBondContact O-N 3.29Å; Q116-M118 PolarHBondContact O-N 3.32Å |
| 117 | S | 35.8 | Very low | 38.6 | Very low | 126 Ų | 126 | 73.4 Ų | 73.4 | 88% | 0.881 | 39% | 0.393 | S | S | * | . | S | Bend | trans | 17.4 | 17.9 | 158.7 | 62.2 | 0 | 0 | 0 | 0 | 122.5 | ||
| 118 | M | 36.6 | Very low | 37.8 | Very low | 105 Ų | 105 | 74.2 Ų | 74.2 | 52% | 0.517 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -133.2 | 121.3 | 177.3 | -66.8 | -166.8 | 114.8 | 0 | 0 | 106.8 | Q116 K120 P143 | Q116-M118 PolarHBondContact O-N 3.32Å; M118-K120 PolarHBondContact O-N 3.26Å; M118-P143 HydrophobicContact CE-CB 3.75Å; M118-P143 HydrophobicContact CE-CG 4.19Å |
| 119 | A | 40.7 | Very low | 37.7 | Very low | 16 Ų | 16 | 72.9 Ų | 72.9 | 13% | 0.132 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.2 | 104.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.5 | C111 T113 T121 | C111-A119 HydrophobicContact CB-CB 4.02Å; T113-A119 HydrophobicContact CG2-CB 4.09Å; A119-T121 VanDerWaalsContact C-N 3.3Å |
| 120 | K | 34.6 | Very low | 37.3 | Very low | 132 Ų | 132 | 78.2 Ų | 78.2 | 57% | 0.574 | 42% | 0.419 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.3 | -9.4 | 176.8 | -70.1 | -169.5 | 178.3 | -175 | 0 | 111.9 | M118 L138 | M118-K120 PolarHBondContact O-N 3.26Å; K120-L138 VanDerWaalsContact O-O 3.06Å |
| 121 | T | 38.5 | Very low | 37.1 | Very low | 34 Ų | 34 | 82.1 Ų | 82.1 | 21% | 0.209 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156 | 126.4 | -173.6 | -51.3 | 0 | 0 | 0 | 0 | 108.6 | C111 L112 A119 L138 | C111-T121 CarbonylContact C-O 3.6Å; L112-T121 WeakPolarHBondContact CA-O 3.48Å; L112-T121 PolarHBondContact N-O 3.17Å; A119-T121 VanDerWaalsContact C-N 3.3Å; T121-L138 HydrophobicContact CG2-CB 4.49Å |
| 122 | C | 39.7 | Very low | 36.9 | Very low | 8 Ų | 8 | 81.4 Ų | 81.4 | 5% | 0.054 | 44% | 0.435 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 127.1 | 166.2 | -60.7 | 0 | 0 | 0 | 0 | 109.6 | V109 Q110 C111 L138 L149 | V109-C122 HydrophobicContact CG1-CB 3.88Å; Q110-C122 CarbonylContact O-C 3.55Å; C111-C122 HydrophobicContact CB-CB 4.13Å; C111-C122 WeakPolarHBondContact CB-SG 3.42Å; C111-C122 WeakPolarHBondContact SG-CB 3.36Å; C111-C122 CovalentContact SG-SG 2.06Å; C111-C122 PolarHBondContact SG-SG 2.91Å; C122-L138 WeakPolarHBondContact O-CD1 3.5Å; C122-L149 HydrophobicContact CB-CD1 4.34Å |
| 123 | L | 41.1 | Very low | 37 | Very low | 52 Ų | 52 | 84.6 Ų | 84.6 | 27% | 0.272 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 121.1 | 172.4 | -98 | 143.5 | 0 | 0 | 0 | 108.1 | V109 Q110 L112 L125 | V109-L123 CarbonylContact C-O 3.39Å; V109-L123 WeakPolarHBondContact CA-O 2.82Å; Q110-L123 HydrophobicContact CB-CB 4.18Å; Q110-L123 PolarHBondContact N-O 2.86Å; Q110-L123 WeakPolarHBondContact O-CB 3.36Å; Q110-L123 PolarHBondContact O-N 3.44Å; L112-L123 HydrophobicContact CD1-CD1 3.54Å; L112-L123 HydrophobicContact CG-CD1 4.03Å; L123-L125 HydrophobicContact CD2-CD2 4.3Å |
| 124 | I | 46.2 | Very low | 36.9 | Very low | 23 Ų | 23 | 80.6 Ų | 80.6 | 12% | 0.118 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 103.6 | 169.3 | -53.8 | 175.7 | 0 | 0 | 0 | 107.5 | A97 I100 L101 K107 V109 | A97-I124 HydrophobicContact CB-CD1 4.32Å; I100-I124 HydrophobicContact CG2-CB 4.12Å; I100-I124 HydrophobicContact CG2-CD1 3.66Å; I100-I124 HydrophobicContact CG2-CG1 4.47Å; I100-I124 HydrophobicContact CG2-CG2 3.56Å; L101-I124 HydrophobicContact CD2-CD1 4.1Å; L101-I124 HydrophobicContact CD2-CG2 4.48Å; L101-I124 HydrophobicContact CG-CD1 4.28Å; K107-I124 HydrophobicContact CB-CG2 4.47Å; K107-I124 HydrophobicContact CD-CG2 3.4Å; K107-I124 VanDerWaalsContact CD-CG2 3.4Å; V109-I124 HydrophobicContact CG1-CG1 4.31Å; V109-I124 HydrophobicContact CG2-CG1 4.18Å; V109-I124 HydrophobicContact CG2-CG2 4.47Å |
| 125 | L | 40.4 | Very low | 37 | Very low | 55 Ų | 55 | 88.3 Ų | 88.3 | 29% | 0.288 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 140.2 | 173.5 | -62.3 | 173.7 | 0 | 0 | 0 | 108.6 | K107 T108 Q110 L123 | K107-L125 CarbonylContact C-O 3.47Å; K107-L125 VanDerWaalsContact CA-O 3.28Å; K107-L125 WeakPolarHBondContact CA-O 3.28Å; T108-L125 PolarHBondContact N-O 3.38Å; T108-L125 PolarHBondContact O-N 3.36Å; Q110-L125 VanDerWaalsContact CD-CD1 3.42Å; Q110-L125 HydrophobicContact CG-CD1 4.01Å; Q110-L125 VanDerWaalsContact OE1-CD1 3.28Å; L123-L125 HydrophobicContact CD2-CD2 4.3Å |
| 126 | S | 37.4 | Very low | 37.2 | Very low | 12 Ų | 12 | 76.7 Ų | 76.7 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | trans | -146.4 | 160.9 | 163.3 | 79 | 0 | 0 | 0 | 0 | 108.4 | K107 L128 S129 | K107-S126 VanDerWaalsContact CE-CB 3.43Å; K107-S126 WeakPolarHBondContact CE-OG 3.3Å; S126-L128 PolarHBondContact O-N 2.99Å; S126-L128 PolarHBondContact OG-N 2.89Å; S126-S129 PolarHBondContact N-OG 3.17Å; S126-S129 WeakPolarHBondContact O-CA 3.34Å; S126-S129 VanDerWaalsContact O-CB 3.22Å; S126-S129 WeakPolarHBondContact O-CB 3.34Å; S126-S129 PolarHBondContact O-N 3.32Å; S126-S129 PolarHBondContact O-OG 3.47Å | ||
| 127 | P | 35.9 | Very low | 37.2 | Very low | 95 Ų | 95 | 72 Ų | 72 | 62% | 0.617 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -52.2 | -26.4 | 175.3 | -27.3 | 32.2 | 0 | 0 | 0 | 113.9 | G106 S129 | G106-P127 WeakPolarHBondContact O-CD 3.35Å; P127-S129 VanDerWaalsContact C-N 3.26Å; P127-S129 PolarHBondContact O-N 3.4Å |
| 128 | L | 35.9 | Very low | 37.4 | Very low | 46 Ų | 46 | 66.2 Ų | 66.2 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | G | 310 helix | trans | -71.7 | -13.5 | 172.9 | -62.9 | -177.8 | 0 | 0 | 0 | 114.3 | H69 A72 V104 S126 L130 N131 L132 | H69-L128 WeakPolarHBondContact ND1-CD2 3.47Å; A72-L128 HydrophobicContact CB-CD1 4.38Å; V104-L128 HydrophobicContact CG1-CD1 3.71Å; V104-L128 HydrophobicContact CG1-CG 4.44Å; S126-L128 PolarHBondContact O-N 2.99Å; S126-L128 PolarHBondContact OG-N 2.89Å; L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 3.39Å; L128-N131 PolarHBondContact O-N 2.92Å; L128-L132 HydrophobicContact CB-CD1 3.89Å; L128-L132 WeakPolarHBondContact O-CB 3.43Å; L128-L132 WeakPolarHBondContact O-CG 3.23Å; L128-L132 PolarHBondContact O-N 3.44Å |
| 129 | S | 39.5 | Very low | 37.2 | Very low | 33 Ų | 33 | 65.2 Ų | 65.2 | 23% | 0.231 | 36% | 0.358 | C | S | . | . | G | 310 helix | trans | -76.1 | -9.4 | -178.8 | 69 | 0 | 0 | 0 | 0 | 114.6 | S126 P127 L132 H133 | S126-S129 PolarHBondContact N-OG 3.17Å; S126-S129 WeakPolarHBondContact O-CA 3.34Å; S126-S129 VanDerWaalsContact O-CB 3.22Å; S126-S129 WeakPolarHBondContact O-CB 3.34Å; S126-S129 PolarHBondContact O-N 3.32Å; S126-S129 PolarHBondContact O-OG 3.47Å; P127-S129 VanDerWaalsContact C-N 3.26Å; P127-S129 PolarHBondContact O-N 3.4Å; S129-L132 CarbonylContact O-C 3.58Å; S129-H133 PolarHBondContact O-N 3.3Å |
| 130 | L | 34.6 | Very low | 36.9 | Very low | 139 Ų | 139 | 69.3 Ų | 69.3 | 73% | 0.728 | 38% | 0.377 | S | S | * | . | G | 310 helix | trans | -69.4 | -41 | 169.2 | -91.6 | 150.6 | 0 | 0 | 0 | 111.5 | L128 | L128-L130 VanDerWaalsContact C-N 3.3Å; L128-L130 PolarHBondContact O-N 3.39Å |
| 131 | N | 34.5 | Very low | 36.9 | Very low | 151 Ų | 151 | 63.5 Ų | 63.5 | 81% | 0.807 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -27.3 | 173 | -75.5 | -18.8 | 0 | 0 | 0 | 112.6 | L128 H133 | L128-N131 PolarHBondContact O-N 2.92Å; N131-H133 VanDerWaalsContact C-N 3.33Å; N131-H133 PolarHBondContact O-N 2.89Å |
| 132 | L | 36.1 | Very low | 36.9 | Very low | 26 Ų | 26 | 63.9 Ų | 63.9 | 14% | 0.136 | 36% | 0.364 | C | S | . | . | S | Bend | trans | -93.3 | 59.9 | 171.6 | -69 | 162.5 | 0 | 0 | 0 | 109.5 | V73 K76 L128 S129 G134 | V73-L132 HydrophobicContact CB-CD2 4.19Å; V73-L132 HydrophobicContact CG1-CD2 4.21Å; V73-L132 HydrophobicContact CG2-CD1 4.33Å; V73-L132 HydrophobicContact CG2-CD2 3.95Å; V73-L132 HydrophobicContact CG2-CG 4.35Å; K76-L132 HydrophobicContact CB-CD2 4.02Å; K76-L132 HydrophobicContact CD-CB 3.73Å; K76-L132 HydrophobicContact CD-CD2 3.28Å; K76-L132 HydrophobicContact CD-CG 4.04Å; K76-L132 HydrophobicContact CG-CD2 4.26Å; L128-L132 HydrophobicContact CB-CD1 3.89Å; L128-L132 WeakPolarHBondContact O-CB 3.43Å; L128-L132 WeakPolarHBondContact O-CG 3.23Å; L128-L132 PolarHBondContact O-N 3.44Å; S129-L132 CarbonylContact O-C 3.58Å; L132-G134 WeakPolarHBondContact O-CA 2.79Å; L132-G134 PolarHBondContact O-N 3.43Å |
| 133 | H | 34.8 | Very low | 37.1 | Very low | 165 Ų | 165 | 66.6 Ų | 66.6 | 76% | 0.764 | 38% | 0.382 | S | S | * | . | trans | -52.6 | 90.4 | 168.6 | -97.8 | -33.5 | 0 | 0 | 0 | 108.8 | K76 S129 N131 | K76-H133 PolarHBondContact NZ-O 3.49Å; S129-H133 PolarHBondContact O-N 3.3Å; N131-H133 VanDerWaalsContact C-N 3.33Å; N131-H133 PolarHBondContact O-N 2.89Å | ||
| 134 | G | 33.3 | Very low | 37.3 | Very low | 22 Ų | 22 | 68.7 Ų | 68.7 | 23% | 0.227 | 39% | 0.39 | C | S | . | . | trans | -124.3 | 94.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 101.6 | L132 V136 | L132-G134 WeakPolarHBondContact O-CA 2.79Å; L132-G134 PolarHBondContact O-N 3.43Å; G134-V136 PolarHBondContact O-N 3.1Å | ||
| 135 | K | 34.4 | Very low | 37.2 | Very low | 198 Ų | 198 | 68.6 Ų | 68.6 | 86% | 0.861 | 39% | 0.388 | S | S | * | . | trans | -54.8 | 80.1 | 138 | -80.4 | 179.2 | 174.4 | 176.3 | 0 | 105.7 | A137 | K135-A137 HydrophobicContact CB-CB 4.43Å; K135-A137 PolarHBondContact O-N 2.86Å | ||
| 136 | V | 38.5 | Very low | 37.3 | Very low | 22 Ų | 22 | 71.3 Ų | 71.3 | 13% | 0.133 | 40% | 0.396 | C | S | . | . | trans | -71 | 73.6 | 150.8 | -179.1 | 0 | 0 | 0 | 0 | 102.8 | Y96 G134 L138 | Y96-V136 HydrophobicContact CE1-CG2 4.46Å; G134-V136 PolarHBondContact O-N 3.1Å; V136-L138 HydrophobicContact CG1-CD1 4.04Å; V136-L138 HydrophobicContact CG1-CG 3.94Å; V136-L138 PolarHBondContact O-N 3.26Å | ||
| 137 | A | 33.6 | Very low | 37.7 | Very low | 51 Ų | 51 | 76 Ų | 76 | 42% | 0.421 | 42% | 0.415 | S | S | . | . | trans | -70.3 | 85.9 | 169.5 | 0 | 0 | 0 | 0 | 0 | 103.9 | K135 S139 | K135-A137 HydrophobicContact CB-CB 4.43Å; K135-A137 PolarHBondContact O-N 2.86Å; A137-S139 PolarHBondContact O-N 3.44Å; A137-S139 PolarHBondContact O-OG 2.84Å | ||
| 138 | L | 38.8 | Very low | 38.1 | Very low | 5 Ų | 5 | 74.7 Ų | 74.7 | 3% | 0.026 | 40% | 0.402 | C | S | . | . | G | 310 helix | trans | -65.8 | 36.9 | 159.6 | -82.8 | 159.1 | 0 | 0 | 0 | 109.7 | K120 T121 C122 V136 L140 A141 W145 | K120-L138 VanDerWaalsContact O-O 3.06Å; T121-L138 HydrophobicContact CG2-CB 4.49Å; C122-L138 WeakPolarHBondContact O-CD1 3.5Å; V136-L138 HydrophobicContact CG1-CD1 4.04Å; V136-L138 HydrophobicContact CG1-CG 3.94Å; V136-L138 PolarHBondContact O-N 3.26Å; L138-L140 PolarHBondContact O-N 2.92Å; L138-A141 HydrophobicContact CB-CB 3.93Å; L138-A141 HydrophobicContact CD2-CB 3.41Å; L138-A141 VanDerWaalsContact CD2-CB 3.41Å; L138-A141 HydrophobicContact CG-CB 4.24Å; L138-A141 PolarHBondContact O-N 3.39Å; L138-W145 HydrophobicContact CD1-CE3 4.26Å; L138-W145 HydrophobicContact CD1-CH2 4.47Å; L138-W145 HydrophobicContact CD1-CZ3 4.01Å; L138-W145 HydrophobicContact CD2-CD2 4.02Å; L138-W145 HydrophobicContact CD2-CE3 4.14Å; L138-W145 HydrophobicContact CD2-CH2 3.81Å; L138-W145 HydrophobicContact CD2-CZ2 3.83Å; L138-W145 HydrophobicContact CD2-CZ3 4Å |
| 139 | S | 33.1 | Very low | 38.6 | Very low | 84 Ų | 84 | 73 Ų | 73 | 59% | 0.587 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -65.6 | -11.1 | 167.5 | 52.1 | 0 | 0 | 0 | 0 | 111.6 | A137 | A137-S139 PolarHBondContact O-N 3.44Å; A137-S139 PolarHBondContact O-OG 2.84Å |
| 140 | L | 33.6 | Very low | 38.9 | Very low | 102 Ų | 102 | 75.2 Ų | 75.2 | 53% | 0.534 | 40% | 0.402 | S | S | . | . | G | 310 helix | trans | -104 | -2.9 | 176 | -69.1 | 168 | 0 | 0 | 0 | 113.7 | L138 G142 | L138-L140 PolarHBondContact O-N 2.92Å; L140-G142 PolarHBondContact O-N 2.91Å |
| 141 | A | 35.1 | Very low | 39.5 | Very low | 10 Ų | 10 | 77.8 Ų | 77.8 | 8% | 0.083 | 41% | 0.407 | C | S | . | . | trans | -84.7 | 99 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | L138 W145 | L138-A141 HydrophobicContact CB-CB 3.93Å; L138-A141 HydrophobicContact CD2-CB 3.41Å; L138-A141 VanDerWaalsContact CD2-CB 3.41Å; L138-A141 HydrophobicContact CG-CB 4.24Å; L138-A141 PolarHBondContact O-N 3.39Å; A141-W145 HydrophobicContact CB-CB 3.89Å; A141-W145 HydrophobicContact CB-CD2 3.91Å; A141-W145 HydrophobicContact CB-CG 3.37Å | ||
| 142 | G | 38.1 | Very low | 40.1 | Very low | 42 Ų | 42 | 75.2 Ų | 75.2 | 43% | 0.433 | 39% | 0.39 | S | S | . | . | trans | -57.4 | 178.7 | 167 | 0 | 0 | 0 | 0 | 0 | 112.9 | L140 E144 W145 | L140-G142 PolarHBondContact O-N 2.91Å; G142-E144 PolarHBondContact O-N 3.23Å; G142-W145 PolarHBondContact O-N 3.43Å | ||
| 143 | P | 45.1 | Very low | 40.2 | Very low | 65 Ų | 65 | 77 Ų | 77 | 42% | 0.422 | 42% | 0.416 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -14 | -172.7 | 21.2 | -33.5 | 0 | 0 | 0 | 116 | M118 W145 Y146 | M118-P143 HydrophobicContact CE-CB 3.75Å; M118-P143 HydrophobicContact CE-CG 4.19Å; P143-W145 VanDerWaalsContact C-N 3.27Å; P143-W145 PolarHBondContact O-N 3.44Å; P143-Y146 PolarHBondContact O-N 2.72Å |
| 144 | E | 44.6 | Very low | 40.5 | Very low | 97 Ų | 97 | 74.8 Ų | 74.8 | 45% | 0.453 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.3 | -30 | 176.9 | -66.5 | -53.8 | 127.3 | 0 | 0 | 113.4 | G142 Y146 K147 L148 | G142-E144 PolarHBondContact O-N 3.23Å; E144-Y146 PolarHBondContact O-N 2.87Å; E144-K147 WeakPolarHBondContact O-CB 3.38Å; E144-K147 PolarHBondContact O-N 3.23Å; E144-K147 IonicContact OE1-NZ 2.73Å; E144-K147 PolarHBondContact OE1-NZ 3Å; E144-K147 IonicContact OE2-NZ 3.7Å; E144-L148 PolarHBondContact O-N 3.26Å |
| 145 | W | 44.4 | Very low | 40.7 | Very low | 20 Ų | 20 | 75.7 Ų | 75.7 | 8% | 0.076 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -67.3 | -39.8 | 178.8 | -87.3 | 74.9 | 0 | 0 | 0 | 113.8 | K93 A97 L138 A141 G142 P143 K147 L148 L149 | K93-W145 HydrophobicContact CB-CZ2 3.91Å; K93-W145 WeakPolarHBondContact O-CH2 3.24Å; K93-W145 WeakPolarHBondContact O-CZ2 3.38Å; A97-W145 HydrophobicContact CB-CE3 4.34Å; A97-W145 HydrophobicContact CB-CH2 2.99Å; A97-W145 HydrophobicContact CB-CZ2 4.23Å; A97-W145 HydrophobicContact CB-CZ3 3.04Å; L138-W145 HydrophobicContact CD1-CE3 4.26Å; L138-W145 HydrophobicContact CD1-CH2 4.47Å; L138-W145 HydrophobicContact CD1-CZ3 4.01Å; L138-W145 HydrophobicContact CD2-CD2 4.02Å; L138-W145 HydrophobicContact CD2-CE3 4.14Å; L138-W145 HydrophobicContact CD2-CH2 3.81Å; L138-W145 HydrophobicContact CD2-CZ2 3.83Å; L138-W145 HydrophobicContact CD2-CZ3 4Å; A141-W145 HydrophobicContact CB-CB 3.89Å; A141-W145 HydrophobicContact CB-CD2 3.91Å; A141-W145 HydrophobicContact CB-CG 3.37Å; G142-W145 PolarHBondContact O-N 3.43Å; P143-W145 VanDerWaalsContact C-N 3.27Å; P143-W145 PolarHBondContact O-N 3.44Å; W145-K147 VanDerWaalsContact C-N 3.28Å; W145-K147 PolarHBondContact O-N 3.36Å; W145-L148 PolarHBondContact O-N 3.21Å; W145-L149 WeakPolarHBondContact O-CG 3.22Å; W145-L149 PolarHBondContact O-N 3.19Å |
| 146 | Y | 42.9 | Very low | 40.8 | Very low | 113 Ų | 113 | 72.1 Ų | 72.1 | 44% | 0.443 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 173.7 | 173.7 | -105.8 | 0 | 0 | 0 | 111 | P143 E144 L150 | P143-Y146 PolarHBondContact O-N 2.72Å; E144-Y146 PolarHBondContact O-N 2.87Å; Y146-L150 HydrophobicContact CD1-CD1 3.77Å; Y146-L150 HydrophobicContact CD2-CD1 4.37Å; Y146-L150 HydrophobicContact CD2-CG 4.49Å; Y146-L150 HydrophobicContact CE1-CD1 3.23Å; Y146-L150 HydrophobicContact CE1-CG 4.29Å; Y146-L150 HydrophobicContact CE2-CD1 3.9Å; Y146-L150 HydrophobicContact CE2-CG 4.15Å; Y146-L150 HydrophobicContact CG-CD1 4.31Å; Y146-L150 WeakPolarHBondContact O-CB 3.22Å; Y146-L150 VanDerWaalsContact O-CG 3.3Å; Y146-L150 WeakPolarHBondContact O-CG 3.39Å; Y146-L150 PolarHBondContact O-N 2.79Å |
| 147 | K | 44.7 | Very low | 40.5 | Very low | 111 Ų | 111 | 75.5 Ų | 75.5 | 48% | 0.483 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -65.6 | -38.6 | 175.9 | -66.2 | 177.5 | -175 | 164.7 | 0 | 112.4 | E144 W145 K151 | E144-K147 WeakPolarHBondContact O-CB 3.38Å; E144-K147 PolarHBondContact O-N 3.23Å; E144-K147 IonicContact OE1-NZ 2.73Å; E144-K147 PolarHBondContact OE1-NZ 3Å; E144-K147 IonicContact OE2-NZ 3.7Å; W145-K147 VanDerWaalsContact C-N 3.28Å; W145-K147 PolarHBondContact O-N 3.36Å; K147-K151 WeakPolarHBondContact O-CB 3.22Å; K147-K151 PolarHBondContact O-N 3.41Å |
| 148 | L | 45.4 | Very low | 40.4 | Very low | 67 Ų | 67 | 74.9 Ų | 74.9 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -70.5 | -41.4 | -177.9 | -142.6 | 143.2 | 0 | 0 | 0 | 111.5 | E94 E144 W145 K151 Q152 | E94-L148 HydrophobicContact CG-CD1 4.31Å; E144-L148 PolarHBondContact O-N 3.26Å; W145-L148 PolarHBondContact O-N 3.21Å; L148-K151 PolarHBondContact O-N 3.18Å; L148-Q152 WeakPolarHBondContact O-CG 3.26Å; L148-Q152 PolarHBondContact O-N 3.32Å |
| 149 | L | 45.4 | Very low | 40.3 | Very low | 10 Ų | 10 | 77.3 Ų | 77.3 | 5% | 0.052 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -63.4 | -45.6 | 172.3 | -73.1 | 166.8 | 0 | 0 | 0 | 111.9 | L101 V109 C122 W145 Q152 G153 W154 | L101-L149 HydrophobicContact CD1-CD2 3.63Å; L101-L149 HydrophobicContact CD2-CD2 4.37Å; V109-L149 HydrophobicContact CG1-CD1 3.88Å; V109-L149 HydrophobicContact CG1-CD2 4.31Å; V109-L149 HydrophobicContact CG2-CD2 4.28Å; C122-L149 HydrophobicContact CB-CD1 4.34Å; W145-L149 WeakPolarHBondContact O-CG 3.22Å; W145-L149 PolarHBondContact O-N 3.19Å; L149-Q152 PolarHBondContact O-N 2.82Å; L149-G153 PolarHBondContact O-N 2.99Å; L149-W154 HydrophobicContact CD2-CB 4.33Å; L149-W154 WeakPolarHBondContact O-CB 3.32Å; L149-W154 PolarHBondContact O-N 3.09Å |
| 150 | L | 46.3 | Very low | 40.2 | Very low | 80 Ų | 80 | 84.7 Ų | 84.7 | 42% | 0.419 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 175.7 | -79.6 | 176.6 | 0 | 0 | 0 | 112.8 | Y146 Q152 G153 | Y146-L150 HydrophobicContact CD1-CD1 3.77Å; Y146-L150 HydrophobicContact CD2-CD1 4.37Å; Y146-L150 HydrophobicContact CD2-CG 4.49Å; Y146-L150 HydrophobicContact CE1-CD1 3.23Å; Y146-L150 HydrophobicContact CE1-CG 4.29Å; Y146-L150 HydrophobicContact CE2-CD1 3.9Å; Y146-L150 HydrophobicContact CE2-CG 4.15Å; Y146-L150 HydrophobicContact CG-CD1 4.31Å; Y146-L150 WeakPolarHBondContact O-CB 3.22Å; Y146-L150 VanDerWaalsContact O-CG 3.3Å; Y146-L150 WeakPolarHBondContact O-CG 3.39Å; Y146-L150 PolarHBondContact O-N 2.79Å; L150-Q152 PolarHBondContact O-N 2.82Å; L150-G153 PolarHBondContact O-N 3.42Å |
| 151 | K | 47.4 | Very low | 40 | Very low | 192 Ų | 192 | 86.9 Ų | 86.9 | 84% | 0.835 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -59.6 | -34.7 | 177.9 | -101.7 | -173.7 | 173 | -179.2 | 0 | 112.7 | K147 L148 G153 | K147-K151 WeakPolarHBondContact O-CB 3.22Å; K147-K151 PolarHBondContact O-N 3.41Å; L148-K151 PolarHBondContact O-N 3.18Å; K151-G153 PolarHBondContact O-N 3.18Å |
| 152 | Q | 46.7 | Very low | 39.7 | Very low | 97 Ų | 97 | 94.4 Ų | 94.4 | 45% | 0.453 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | 2.3 | 179.7 | -72.4 | -88.7 | 9.5 | 0 | 0 | 112.6 | L148 L149 L150 W154 | L148-Q152 WeakPolarHBondContact O-CG 3.26Å; L148-Q152 PolarHBondContact O-N 3.32Å; L149-Q152 PolarHBondContact O-N 2.82Å; L150-Q152 PolarHBondContact O-N 2.82Å; Q152-W154 VanDerWaalsContact C-CD1 3.44Å; Q152-W154 VanDerWaalsContact C-N 3.31Å; Q152-W154 PolarHBondContact O-NE1 3.29Å |
| 153 | G | 38.9 | Very low | 39.1 | Very low | 65 Ų | 65 | 100.1 Ų | 100.1 | 67% | 0.67 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81 | 7.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | L149 L150 K151 G155 | L149-G153 PolarHBondContact O-N 2.99Å; L150-G153 PolarHBondContact O-N 3.42Å; K151-G153 PolarHBondContact O-N 3.18Å; G153-G155 PolarHBondContact O-N 3.04Å |
| 154 | W | 41 | Very low | 38.1 | Very low | 117 Ų | 117 | 102 Ų | 102 | 44% | 0.443 | 53% | 0.53 | S | S | . | . | trans | -86.8 | 67.5 | 179.1 | -57.1 | 73.8 | 0 | 0 | 0 | 108.5 | L149 Q152 | L149-W154 HydrophobicContact CD2-CB 4.33Å; L149-W154 WeakPolarHBondContact O-CB 3.32Å; L149-W154 PolarHBondContact O-N 3.09Å; Q152-W154 VanDerWaalsContact C-CD1 3.44Å; Q152-W154 VanDerWaalsContact C-N 3.31Å; Q152-W154 PolarHBondContact O-NE1 3.29Å | ||
| 155 | G | 36.6 | Very low | 37.3 | Very low | 42 Ų | 42 | 103 Ų | 103 | 43% | 0.433 | 55% | 0.545 | S | S | . | . | trans | -76.8 | 139.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.9 | G153 S157 | G153-G155 PolarHBondContact O-N 3.04Å; G155-S157 PolarHBondContact O-N 2.91Å | ||
| 156 | T | 36.4 | Very low | 36.6 | Very low | 123 Ų | 123 | 111.2 Ų | 111.2 | 76% | 0.755 | 59% | 0.586 | S | S | * | * | trans | -32.5 | 87.3 | 177.3 | 53.4 | 0 | 0 | 0 | 0 | 115.2 | G158 | T156-G158 PolarHBondContact O-N 3.44Å; T156-G158 VanDerWaalsContact O-N 3.09Å | ||
| 157 | S | 33 | Very low | 36.1 | Very low | 93 Ų | 93 | 120.5 Ų | 120.5 | 65% | 0.65 | 62% | 0.621 | S | S | * | * | trans | -80.3 | 66.1 | 148.7 | 46.1 | 0 | 0 | 0 | 0 | 107.3 | G155 | G155-S157 PolarHBondContact O-N 2.91Š| ||
| 158 | G | 31.5 | Very low | 35.7 | Very low | 37 Ų | 37 | 121 Ų | 121 | 38% | 0.381 | 63% | 0.628 | S | S | . | * | trans | -63.6 | 153.8 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | T156 R160 | T156-G158 PolarHBondContact O-N 3.44Å; T156-G158 VanDerWaalsContact O-N 3.09Å; G158-R160 PolarHBondContact O-N 3.11Å | ||
| 159 | P | 35.2 | Very low | 35.1 | Very low | 56 Ų | 56 | 123.8 Ų | 123.8 | 36% | 0.364 | 64% | 0.642 | S | S | . | * | S | Bend | trans | -68.6 | 74.9 | 166.3 | 31.5 | -33.2 | 0 | 0 | 0 | 108.4 | F163 | P159-F163 HydrophobicContact CG-CE2 4.24Š|
| 160 | R | 31.2 | Very low | 34.6 | Very low | 239 Ų | 239 | 130.2 Ų | 130.2 | 90% | 0.902 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -81.3 | -6.2 | 162.6 | -85.6 | -169.6 | 171 | -164.1 | -1.7 | 111.9 | G158 | G158-R160 PolarHBondContact O-N 3.11Š|
| 161 | D | 30.5 | Very low | 33.9 | Very low | 149 Ų | 149 | 133.1 Ų | 133.1 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -102.2 | 1.1 | -179.8 | -61.4 | -40.1 | 0 | 0 | 0 | 114.5 | ||
| 162 | H | 28.6 | Very low | 33 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 77% | 0.773 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -135 | 20.3 | -173.8 | -88 | 50.7 | 0 | 0 | 0 | 115.6 | ||
| 163 | F | 26.1 | Very low | 32.1 | Very low | 162 Ų | 162 | 131.6 Ų | 131.6 | 71% | 0.711 | 70% | 0.696 | S | S | * | * | S | Bend | trans | -101.1 | 118.8 | 161.1 | -79 | -82.5 | 0 | 0 | 0 | 108.2 | P159 | P159-F163 HydrophobicContact CG-CE2 4.24Š|
| 164 | P | 24.1 | Very low | 31.6 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 69% | 0.688 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 140.9 | 168.8 | 26.2 | -31.2 | 0 | 0 | 0 | 107.6 | M166 | P164-M166 PolarHBondContact O-N 3.43Š|
| 165 | P | 27.1 | Very low | 30.9 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 77% | 0.766 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -56.1 | 121.4 | 176.6 | 23.5 | -31.4 | 0 | 0 | 0 | 108 | R167 | P165-R167 PolarHBondContact O-N 3.36Š|
| 166 | M | 29.2 | Very low | 30.4 | Very low | 192 Ų | 192 | 145.8 Ų | 145.8 | 95% | 0.946 | 74% | 0.741 | S | S | * | * | trans | -73.7 | 85.2 | 162.5 | -78.6 | -164.5 | -169.3 | 0 | 0 | 107.5 | P164 | P164-M166 PolarHBondContact O-N 3.43Š| ||
| 167 | R | 32.6 | Very low | 29.9 | Very low | 308 Ų | 308 | 147.9 Ų | 147.9 | 100% | 1.162 | 74% | 0.74 | S | S | * | * | trans | -171.2 | 0 | 147.5 | -105.6 | 179.4 | -170.4 | -173 | 2.9 | 109.3 | P165 | P165-R167 PolarHBondContact O-N 3.36Š|
Retrieved 167 of 167 residues in 92.6 ms
(Link to these results)