| 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 | 62.8 | Low | 94.5 | Very high | 149 Ų | 149 | 63.2 Ų | 63.2 | 73% | 0.734 | 38% | 0.382 | S | S | * | . | 0 | 130.4 | 0 | -175.9 | 162.4 | 39.5 | 0 | 0 | 107.3 | K128 C131 | M1-K128 HydrophobicContact CE-CB 3.99Å; M1-K128 HydrophobicContact CE-CG 3.75Å; M1-K128 HydrophobicContact SD-CD 4.38Å; M1-K128 HydrophobicContact SD-CG 3.85Å; M1-C131 HydrophobicContact CE-CB 4.18Å | |||
| 2 | V | 89.6 | Confident | 94.8 | Very high | 134 Ų | 134 | 66.2 Ų | 66.2 | 81% | 0.812 | 39% | 0.386 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 132.1 | -177.2 | 179.8 | 0 | 0 | 0 | 0 | 108.8 | ||
| 3 | L | 97.6 | Very high | 95.1 | Very high | 14 Ų | 14 | 63.8 Ų | 63.8 | 7% | 0.073 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 127.7 | 175.3 | -61.9 | 173.3 | 0 | 0 | 0 | 109.8 | D7 K8 I74 I77 K128 F129 | L3-D7 HydrophobicContact CB-CB 4.12Å; L3-D7 HydrophobicContact CD2-CB 4.06Å; L3-K8 HydrophobicContact CB-CG 3.98Å; L3-K8 VanDerWaalsContact O-CE 3.31Å; L3-K8 WeakPolarHBondContact O-CE 3.46Å; L3-I74 HydrophobicContact CD1-CD1 3.96Å; L3-I74 HydrophobicContact CD1-CG1 3.74Å; L3-I77 HydrophobicContact CD1-CD1 4.49Å; L3-K128 HydrophobicContact CD2-CB 3.68Å; L3-F129 HydrophobicContact CD1-CB 4.25Å; L3-F129 HydrophobicContact CD1-CD2 4Å; L3-F129 HydrophobicContact CD2-CB 4.29Å |
| 4 | S | 98.4 | Very high | 95.3 | Very high | 53 Ų | 53 | 59.6 Ų | 59.6 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 168.4 | 172.1 | 69 | 0 | 0 | 0 | 0 | 111.6 | T6 D7 K8 | S4-T6 VanDerWaalsContact C-N 3.26Å; S4-T6 PolarHBondContact O-N 2.62Å; S4-D7 VanDerWaalsContact CB-OD2 3.31Å; S4-D7 WeakPolarHBondContact CB-OD2 3.39Å; S4-D7 PolarHBondContact N-OD2 3.08Å; S4-D7 PolarHBondContact O-N 3.38Å; S4-D7 PolarHBondContact OG-N 3Å; S4-D7 VanDerWaalsContact OG-N 3.08Å; S4-D7 PolarHBondContact OG-OD2 3.21Å; S4-K8 WeakPolarHBondContact O-CG 3.49Å; S4-K8 PolarHBondContact O-N 2.86Å |
| 5 | G | 98.6 | Very high | 95.5 | Very high | 54 Ų | 54 | 56 Ų | 56 | 56% | 0.557 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -56.3 | -41.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | K8 T9 | G5-K8 PolarHBondContact O-N 3.31Å; G5-T9 PolarHBondContact O-N 3.08Å; G5-T9 PolarHBondContact O-OG1 3.07Å |
| 6 | T | 98.5 | Very high | 95.6 | Very high | 96 Ų | 96 | 57.8 Ų | 57.8 | 59% | 0.589 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -65.3 | -43.8 | 175.7 | -56.1 | 0 | 0 | 0 | 0 | 112.1 | S4 K8 T9 N10 | S4-T6 VanDerWaalsContact C-N 3.26Å; S4-T6 PolarHBondContact O-N 2.62Å; T6-K8 VanDerWaalsContact C-N 3.29Å; T6-K8 PolarHBondContact O-N 3.02Å; T6-T9 PolarHBondContact O-N 3.37Å; T6-N10 WeakPolarHBondContact O-CB 3.38Å; T6-N10 PolarHBondContact O-N 3.31Å |
| 7 | D | 98.8 | Very high | 95.5 | Very high | 9 Ų | 9 | 60.3 Ų | 60.3 | 5% | 0.048 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 177.3 | -62.4 | -55.8 | 0 | 0 | 0 | 110.2 | L3 S4 T9 N10 V11 S125 K128 | L3-D7 HydrophobicContact CB-CB 4.12Å; L3-D7 HydrophobicContact CD2-CB 4.06Å; S4-D7 VanDerWaalsContact CB-OD2 3.31Å; S4-D7 WeakPolarHBondContact CB-OD2 3.39Å; S4-D7 PolarHBondContact N-OD2 3.08Å; S4-D7 PolarHBondContact O-N 3.38Å; S4-D7 PolarHBondContact OG-N 3Å; S4-D7 VanDerWaalsContact OG-N 3.08Å; S4-D7 PolarHBondContact OG-OD2 3.21Å; D7-T9 PolarHBondContact O-N 2.82Å; D7-N10 PolarHBondContact O-N 3.18Å; D7-V11 WeakPolarHBondContact O-CB 2.96Å; D7-V11 WeakPolarHBondContact O-CG2 3.31Å; D7-V11 PolarHBondContact O-N 2.8Å; D7-S125 PolarHBondContact OD1-OG 3.36Å; D7-K128 WeakPolarHBondContact OD1-CD 3.38Å; D7-K128 IonicContact OD1-NZ 2.82Å; D7-K128 PolarHBondContact OD1-NZ 2.93Å; D7-K128 IonicContact OD2-NZ 3.24Å; D7-K128 PolarHBondContact OD2-NZ 2.85Å |
| 8 | K | 98.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 57.1 Ų | 57.1 | 22% | 0.222 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.7 | -44.1 | 178.6 | -66.8 | 172.1 | -172.6 | 177 | 0 | 112.1 | L3 S4 G5 T6 V11 K12 I74 D75 | L3-K8 HydrophobicContact CB-CG 3.98Å; L3-K8 VanDerWaalsContact O-CE 3.31Å; L3-K8 WeakPolarHBondContact O-CE 3.46Å; S4-K8 WeakPolarHBondContact O-CG 3.49Å; S4-K8 PolarHBondContact O-N 2.86Å; G5-K8 PolarHBondContact O-N 3.31Å; T6-K8 VanDerWaalsContact C-N 3.29Å; T6-K8 PolarHBondContact O-N 3.02Å; K8-V11 PolarHBondContact O-N 3.35Å; K8-K12 WeakPolarHBondContact O-CB 3.34Å; K8-K12 WeakPolarHBondContact O-CG 3.5Å; K8-K12 PolarHBondContact O-N 2.98Å; K8-I74 HydrophobicContact CB-CD1 4.07Å; K8-I74 HydrophobicContact CB-CG2 4.44Å; K8-I74 HydrophobicContact CD-CG2 4.15Å; K8-I74 HydrophobicContact CG-CD1 3.91Å; K8-I74 HydrophobicContact CG-CG1 4.12Å; K8-I74 HydrophobicContact CG-CG2 4.11Å; K8-D75 WeakPolarHBondContact CE-OD1 3.22Å; K8-D75 IonicContact NZ-OD1 2.62Å; K8-D75 PolarHBondContact NZ-OD1 3.18Å |
| 9 | T | 98.7 | Very high | 95.2 | Very high | 97 Ų | 97 | 57.2 Ų | 57.2 | 60% | 0.595 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.2 | -46 | 177.2 | -64.4 | 0 | 0 | 0 | 0 | 111.5 | G5 T6 D7 V11 K12 G13 | G5-T9 PolarHBondContact O-N 3.08Å; G5-T9 PolarHBondContact O-OG1 3.07Å; T6-T9 PolarHBondContact O-N 3.37Å; D7-T9 PolarHBondContact O-N 2.82Å; T9-V11 PolarHBondContact O-N 3.27Å; T9-K12 PolarHBondContact O-N 3.39Å; T9-G13 PolarHBondContact O-N 2.99Å |
| 10 | N | 98.8 | Very high | 95.2 | Very high | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.203 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.7 | -45.8 | 178.7 | -72.5 | -13.9 | 0 | 0 | 0 | 111.8 | T6 D7 G13 I14 V122 S125 | T6-N10 WeakPolarHBondContact O-CB 3.38Å; T6-N10 PolarHBondContact O-N 3.31Å; D7-N10 PolarHBondContact O-N 3.18Å; N10-G13 PolarHBondContact O-N 3.06Å; N10-I14 PolarHBondContact O-N 3.4Å; N10-V122 HydrophobicContact CB-CG2 4.26Å; N10-S125 PolarHBondContact ND2-OG 3.35Å |
| 11 | V | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 59.6 Ų | 59.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60 | -50 | 177 | 170.9 | 0 | 0 | 0 | 0 | 110.5 | D7 K8 T9 G13 I14 F15 V71 I74 L126 F129 | D7-V11 WeakPolarHBondContact O-CB 2.96Å; D7-V11 WeakPolarHBondContact O-CG2 3.31Å; D7-V11 PolarHBondContact O-N 2.8Å; K8-V11 PolarHBondContact O-N 3.35Å; T9-V11 PolarHBondContact O-N 3.27Å; V11-G13 VanDerWaalsContact C-N 3.3Å; V11-G13 PolarHBondContact O-N 3.03Å; V11-I14 PolarHBondContact O-N 3.42Å; V11-F15 HydrophobicContact CG1-CD2 3.92Å; V11-F15 HydrophobicContact CG1-CE2 4.18Å; V11-F15 WeakPolarHBondContact O-CD2 3.44Å; V11-F15 PolarHBondContact O-N 3.16Å; V11-V71 HydrophobicContact CG1-CG1 4.25Å; V11-V71 HydrophobicContact CG1-CG2 3.52Å; V11-I74 HydrophobicContact CB-CD1 4.08Å; V11-I74 HydrophobicContact CG1-CD1 3.87Å; V11-L126 HydrophobicContact CG2-CD2 4.3Å; V11-F129 HydrophobicContact CG1-CB 4.34Å; V11-F129 HydrophobicContact CG1-CD1 4.04Å; V11-F129 HydrophobicContact CG1-CD2 4Å; V11-F129 HydrophobicContact CG1-CE1 4.36Å; V11-F129 HydrophobicContact CG1-CE2 4.32Å; V11-F129 HydrophobicContact CG1-CG 3.84Å; V11-F129 HydrophobicContact CG1-CZ 4.49Å; V11-F129 HydrophobicContact CG2-CB 3.64Å; V11-F129 HydrophobicContact CG2-CG 4.08Å |
| 12 | K | 98.6 | Very high | 96.8 | Very high | 99 Ų | 99 | 52.9 Ų | 52.9 | 43% | 0.43 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59 | -41 | 177 | -74 | 177.7 | -179.9 | -176.9 | 0 | 112.1 | K8 T9 I14 F15 S16 V71 | K8-K12 WeakPolarHBondContact O-CB 3.34Å; K8-K12 WeakPolarHBondContact O-CG 3.5Å; K8-K12 PolarHBondContact O-N 2.98Å; T9-K12 PolarHBondContact O-N 3.39Å; K12-I14 PolarHBondContact O-N 3.33Å; K12-F15 PolarHBondContact O-N 2.88Å; K12-S16 PolarHBondContact O-N 3.06Å; K12-V71 HydrophobicContact CB-CG1 4.44Å; K12-V71 HydrophobicContact CG-CG1 3.69Å |
| 13 | G | 98.2 | Very high | 97.2 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 37% | 0.371 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -57 | -47.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | T9 N10 V11 S16 | T9-G13 PolarHBondContact O-N 2.99Å; N10-G13 PolarHBondContact O-N 3.06Å; V11-G13 VanDerWaalsContact C-N 3.3Å; V11-G13 PolarHBondContact O-N 3.03Å; G13-S16 PolarHBondContact O-OG 3.24Å |
| 14 | I | 98.2 | Very high | 97.3 | Very high | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.026 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -68.1 | -46.6 | 177.1 | -69.7 | -66.1 | 0 | 0 | 0 | 111.7 | N10 V11 K12 S16 K17 I18 V110 A117 V122 L126 | N10-I14 PolarHBondContact O-N 3.4Å; V11-I14 PolarHBondContact O-N 3.42Å; K12-I14 PolarHBondContact O-N 3.33Å; I14-S16 PolarHBondContact O-N 3.49Å; I14-K17 WeakPolarHBondContact O-CB 3.49Å; I14-K17 PolarHBondContact O-N 2.82Å; I14-I18 HydrophobicContact CG2-CD1 3.62Å; I14-I18 HydrophobicContact CG2-CG1 4.28Å; I14-I18 PolarHBondContact O-N 2.65Å; I14-V110 HydrophobicContact CD1-CG1 4.31Å; I14-V110 HydrophobicContact CG2-CG1 3.96Å; I14-V110 HydrophobicContact CG2-CG2 4.37Å; I14-A117 HydrophobicContact CD1-CB 3.71Å; I14-V122 HydrophobicContact CD1-CG1 3.83Å; I14-V122 HydrophobicContact CG1-CG1 3.43Å; I14-V122 VanDerWaalsContact CG1-CG1 3.43Å; I14-L126 HydrophobicContact CB-CD1 4.45Å; I14-L126 HydrophobicContact CB-CD2 4.08Å; I14-L126 HydrophobicContact CG1-CD1 4.13Å; I14-L126 HydrophobicContact CG1-CD2 4.43Å; I14-L126 HydrophobicContact CG2-CD1 4.08Å; I14-L126 HydrophobicContact CG2-CD2 3.97Å |
| 15 | F | 97.9 | Very high | 97.3 | Very high | 5 Ų | 5 | 53 Ų | 53 | 2% | 0.022 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -27.9 | -177.1 | -89.3 | -97.7 | 0 | 0 | 0 | 113.2 | V11 K12 K17 I18 S19 L67 I68 V71 F106 L126 F129 | V11-F15 HydrophobicContact CG1-CD2 3.92Å; V11-F15 HydrophobicContact CG1-CE2 4.18Å; V11-F15 WeakPolarHBondContact O-CD2 3.44Å; V11-F15 PolarHBondContact O-N 3.16Å; K12-F15 PolarHBondContact O-N 2.88Å; F15-K17 PolarHBondContact O-N 3Å; F15-I18 PolarHBondContact O-N 2.71Å; F15-I18 VanDerWaalsContact O-N 3.14Å; F15-S19 PolarHBondContact O-N 3.05Å; F15-S19 PolarHBondContact O-OG 3.11Å; F15-L67 HydrophobicContact CE1-CB 3.54Å; F15-L67 HydrophobicContact CZ-CB 3.79Å; F15-L67 HydrophobicContact CZ-CD1 4.48Å; F15-I68 HydrophobicContact CD1-CG1 3.84Å; F15-I68 HydrophobicContact CE1-CG1 4.27Å; F15-V71 HydrophobicContact CB-CB 4.43Å; F15-V71 HydrophobicContact CB-CG1 4.1Å; F15-V71 HydrophobicContact CB-CG2 4.17Å; F15-V71 HydrophobicContact CD1-CB 4.47Å; F15-V71 HydrophobicContact CD1-CG2 3.82Å; F15-V71 HydrophobicContact CD2-CG2 3.61Å; F15-V71 HydrophobicContact CE1-CG2 4.08Å; F15-V71 HydrophobicContact CE2-CG2 3.85Å; F15-V71 HydrophobicContact CG-CB 4.28Å; F15-V71 HydrophobicContact CG-CG1 4.4Å; F15-V71 HydrophobicContact CG-CG2 3.57Å; F15-V71 HydrophobicContact CZ-CG2 4.09Å; F15-F106 HydrophobicContact CE1-CZ 4.17Å; F15-F106 HydrophobicContact CE2-CE1 4.21Å; F15-F106 HydrophobicContact CE2-CZ 4.04Å; F15-F106 HydrophobicContact CZ-CE1 4.06Å; F15-F106 HydrophobicContact CZ-CE2 4.48Å; F15-F106 AromaticContact CZ-CZ 3.57Å; F15-F106 HydrophobicContact CZ-CZ 3.57Å; F15-L126 HydrophobicContact CD2-CD2 4.42Å; F15-L126 HydrophobicContact CE2-CD2 4.13Å; F15-F129 HydrophobicContact CE2-CD1 4.17Å; F15-F129 AromaticContact CE2-CE1 3.76Å; F15-F129 HydrophobicContact CE2-CE1 3.76Å; F15-F129 AromaticContact CZ-CE1 3.73Å; F15-F129 HydrophobicContact CZ-CE1 3.73Å; F15-F129 HydrophobicContact CZ-CZ 4.46Å |
| 16 | S | 96.8 | Very high | 97.3 | Very high | 85 Ų | 85 | 50.6 Ų | 50.6 | 59% | 0.594 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -59.2 | -28.2 | 170.4 | 75.3 | 0 | 0 | 0 | 0 | 113.8 | K12 G13 I14 | K12-S16 PolarHBondContact O-N 3.06Å; G13-S16 PolarHBondContact O-OG 3.24Å; I14-S16 PolarHBondContact O-N 3.49Å |
| 17 | K | 95.1 | Very high | 97.3 | Very high | 100 Ų | 100 | 46.3 Ų | 46.3 | 44% | 0.435 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -84.6 | -30.1 | 176.4 | -58.6 | 178.5 | 179.8 | -64 | 0 | 112.2 | I14 F15 | I14-K17 WeakPolarHBondContact O-CB 3.49Å; I14-K17 PolarHBondContact O-N 2.82Å; F15-K17 PolarHBondContact O-N 3Å |
| 18 | I | 93.5 | Very high | 97.3 | Very high | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -77.8 | -31.7 | -178.7 | -65 | 176.3 | 0 | 0 | 0 | 112 | I14 F15 S20 H21 A22 Y25 F106 V110 | I14-I18 HydrophobicContact CG2-CD1 3.62Å; I14-I18 HydrophobicContact CG2-CG1 4.28Å; I14-I18 PolarHBondContact O-N 2.65Å; F15-I18 PolarHBondContact O-N 2.71Å; F15-I18 VanDerWaalsContact O-N 3.14Å; I18-S20 VanDerWaalsContact C-N 3.29Å; I18-S20 PolarHBondContact O-N 2.88Å; I18-S20 VanDerWaalsContact O-N 3.14Å; I18-H21 CarbonylContact O-C 3.04Å; I18-H21 WeakPolarHBondContact O-CA 3.45Å; I18-H21 PolarHBondContact O-N 3.3Å; I18-A22 PolarHBondContact O-N 3.09Å; I18-A22 VanDerWaalsContact O-N 3.12Å; I18-Y25 HydrophobicContact CB-CD2 4.37Å; I18-Y25 HydrophobicContact CG1-CD2 4.12Å; I18-Y25 HydrophobicContact CG1-CE2 4.42Å; I18-Y25 HydrophobicContact CG2-CD2 4.14Å; I18-F106 HydrophobicContact CD1-CE1 4.25Å; I18-F106 HydrophobicContact CD1-CE2 4.14Å; I18-F106 HydrophobicContact CD1-CZ 3.47Å; I18-F106 VanDerWaalsContact CD1-CZ 3.47Å; I18-V110 HydrophobicContact CD1-CG2 3.81Å |
| 19 | S | 92.1 | Very high | 97.3 | Very high | 59 Ų | 59 | 45.6 Ų | 45.6 | 41% | 0.413 | 26% | 0.258 | S | S | . | . | G | 310 helix | trans | -53.7 | -38 | -171.1 | -68.9 | 0 | 0 | 0 | 0 | 114.8 | F15 H21 | F15-S19 PolarHBondContact O-N 3.05Å; F15-S19 PolarHBondContact O-OG 3.11Å; S19-H21 VanDerWaalsContact C-N 3.28Å; S19-H21 PolarHBondContact O-N 3.33Å |
| 20 | S | 94.1 | Very high | 97.3 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 69% | 0.685 | 23% | 0.23 | S | C | * | . | G | 310 helix | trans | -76.4 | -12.8 | 177 | 51.2 | 0 | 0 | 0 | 0 | 114.2 | I18 | I18-S20 VanDerWaalsContact C-N 3.29Å; I18-S20 PolarHBondContact O-N 2.88Å; I18-S20 VanDerWaalsContact O-N 3.14Å |
| 21 | H | 96.7 | Very high | 97.3 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 32% | 0.315 | 23% | 0.227 | S | C | . | . | G | 310 helix | trans | -118.8 | 17 | -176.2 | -59.1 | -80.2 | 0 | 0 | 0 | 112.5 | I18 S19 E23 E24 Y25 | I18-H21 CarbonylContact O-C 3.04Å; I18-H21 WeakPolarHBondContact O-CA 3.45Å; I18-H21 PolarHBondContact O-N 3.3Å; S19-H21 VanDerWaalsContact C-N 3.28Å; S19-H21 PolarHBondContact O-N 3.33Å; H21-E23 VanDerWaalsContact C-N 3.25Å; H21-E23 PolarHBondContact O-N 3.21Å; H21-E23 VanDerWaalsContact O-N 3.13Å; H21-E24 IonicContact ND1-OE2 3.14Å; H21-E24 PolarHBondContact ND1-OE2 2.96Å; H21-E24 PolarHBondContact O-N 3.31Å; H21-E24 VanDerWaalsContact O-N 3.07Å; H21-Y25 HydrophobicContact CB-CD1 3.96Å; H21-Y25 HydrophobicContact CB-CD2 3.69Å; H21-Y25 HydrophobicContact CB-CE1 3.77Å; H21-Y25 HydrophobicContact CB-CE2 3.5Å; H21-Y25 VanDerWaalsContact CB-CE2 3.5Å; H21-Y25 HydrophobicContact CB-CG 3.91Å; H21-Y25 AromaticContact CG-CE2 3.99Å; H21-Y25 AromaticContact CG-CZ 3.72Å; H21-Y25 PolarHBondContact O-N 2.95Å |
| 22 | A | 95.8 | Very high | 97.3 | Very high | 7 Ų | 7 | 44.7 Ų | 44.7 | 6% | 0.058 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -54.3 | -38.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | I18 G26 A64 I68 | I18-A22 PolarHBondContact O-N 3.09Å; I18-A22 VanDerWaalsContact O-N 3.12Å; A22-G26 WeakPolarHBondContact O-CA 3.46Å; A22-G26 PolarHBondContact O-N 3.03Å; A22-A64 HydrophobicContact CB-CB 3.81Å; A22-A64 WeakPolarHBondContact O-CB 3.49Å; A22-I68 HydrophobicContact CB-CD1 4.03Å |
| 23 | E | 97.9 | Very high | 97.3 | Very high | 84 Ų | 84 | 40.5 Ų | 40.5 | 39% | 0.393 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -68.7 | -48 | 177.1 | -174.1 | 173.5 | 118.2 | 0 | 0 | 112.2 | H21 A27 K57 K61 | H21-E23 VanDerWaalsContact C-N 3.25Å; H21-E23 PolarHBondContact O-N 3.21Å; H21-E23 VanDerWaalsContact O-N 3.13Å; E23-A27 VanDerWaalsContact O-CB 3.25Å; E23-A27 WeakPolarHBondContact O-CB 3.43Å; E23-A27 PolarHBondContact O-N 3.01Å; E23-K57 HydrophobicContact CG-CB 4.27Å; E23-K61 HydrophobicContact CB-CB 4.07Å; E23-K61 HydrophobicContact CB-CD 4.18Å; E23-K61 HydrophobicContact CB-CG 4.18Å; E23-K61 HydrophobicContact CG-CB 4.17Å; E23-K61 HydrophobicContact CG-CD 4.39Å; E23-K61 WeakPolarHBondContact OE2-CD 3.44Å; E23-K61 IonicContact OE2-NZ 3.72Å; E23-K61 PolarHBondContact OE2-NZ 2.98Å; E23-K61 VanDerWaalsContact OE2-NZ 3.14Å |
| 24 | E | 98.2 | Very high | 97.3 | Very high | 105 Ų | 105 | 39 Ų | 39 | 49% | 0.491 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -64.5 | -54.2 | -178.5 | -176.7 | -177.9 | -178.9 | 0 | 0 | 111.4 | H21 G26 A27 E28 | H21-E24 IonicContact ND1-OE2 3.14Å; H21-E24 PolarHBondContact ND1-OE2 2.96Å; H21-E24 PolarHBondContact O-N 3.31Å; H21-E24 VanDerWaalsContact O-N 3.07Å; E24-G26 VanDerWaalsContact C-N 3.34Å; E24-G26 PolarHBondContact O-N 3.21Å; E24-A27 PolarHBondContact O-N 3.07Å; E24-E28 PolarHBondContact O-N 3.31Å |
| 25 | Y | 98.6 | Very high | 97.3 | Very high | 14 Ų | 14 | 44.9 Ų | 44.9 | 6% | 0.055 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -70.4 | -33.5 | -176.9 | -64.2 | -6 | 0 | 0 | 0 | 111.9 | I18 H21 T29 V109 H113 H114 | I18-Y25 HydrophobicContact CB-CD2 4.37Å; I18-Y25 HydrophobicContact CG1-CD2 4.12Å; I18-Y25 HydrophobicContact CG1-CE2 4.42Å; I18-Y25 HydrophobicContact CG2-CD2 4.14Å; H21-Y25 HydrophobicContact CB-CD1 3.96Å; H21-Y25 HydrophobicContact CB-CD2 3.69Å; H21-Y25 HydrophobicContact CB-CE1 3.77Å; H21-Y25 HydrophobicContact CB-CE2 3.5Å; H21-Y25 VanDerWaalsContact CB-CE2 3.5Å; H21-Y25 HydrophobicContact CB-CG 3.91Å; H21-Y25 AromaticContact CG-CE2 3.99Å; H21-Y25 AromaticContact CG-CZ 3.72Å; H21-Y25 PolarHBondContact O-N 2.95Å; Y25-T29 VanDerWaalsContact O-CB 3.29Å; Y25-T29 WeakPolarHBondContact O-CB 3.31Å; Y25-T29 PolarHBondContact O-N 3.49Å; Y25-T29 PolarHBondContact O-OG1 3.5Å; Y25-V109 HydrophobicContact CD1-CG1 4.25Å; Y25-V109 HydrophobicContact CG-CG1 4.03Å; Y25-H113 AromaticContact CD1-CD2 3.76Å; Y25-H113 AromaticContact CD1-NE2 3.83Å; Y25-H113 HydrophobicContact CE1-CB 3.98Å; Y25-H113 AromaticContact CE1-CD2 3.5Å; Y25-H113 AromaticContact CE1-CE1 3.57Å; Y25-H113 AromaticContact CE1-CG 3.36Å; Y25-H113 AromaticContact CE1-ND1 3.43Å; Y25-H113 WeakPolarHBondContact CE1-ND1 3.44Å; Y25-H113 AromaticContact CE1-NE2 3.62Å; Y25-H113 HydrophobicContact CE2-CB 4.17Å; Y25-H113 AromaticContact CZ-CG 3.55Å; Y25-H113 AromaticContact CZ-ND1 3.82Å; Y25-H113 WeakPolarHBondContact OH-CB 3.32Å; Y25-H114 AromaticContact CE2-NE2 3.51Å |
| 26 | G | 98.6 | Very high | 97.4 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 4% | 0.041 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A22 E24 L30 G60 | A22-G26 WeakPolarHBondContact O-CA 3.46Å; A22-G26 PolarHBondContact O-N 3.03Å; E24-G26 VanDerWaalsContact C-N 3.34Å; E24-G26 PolarHBondContact O-N 3.21Å; G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 3.45Å; G26-G60 VanDerWaalsContact C-CA 3.42Å |
| 27 | A | 98.8 | Very high | 97.4 | Very high | 7 Ų | 7 | 47.2 Ų | 47.2 | 6% | 0.058 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.1 | -48.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | E23 E24 T29 L30 E31 I56 K57 | E23-A27 VanDerWaalsContact O-CB 3.25Å; E23-A27 WeakPolarHBondContact O-CB 3.43Å; E23-A27 PolarHBondContact O-N 3.01Å; E24-A27 PolarHBondContact O-N 3.07Å; A27-T29 VanDerWaalsContact C-N 3.29Å; A27-T29 PolarHBondContact O-N 2.95Å; A27-L30 PolarHBondContact O-N 3.35Å; A27-L30 VanDerWaalsContact O-N 3.1Å; A27-E31 PolarHBondContact O-N 3.37Å; A27-I56 HydrophobicContact CB-CG2 4.14Å; A27-K57 HydrophobicContact CB-CG 4.03Å |
| 28 | E | 98.8 | Very high | 97.6 | Very high | 39 Ų | 39 | 45.9 Ų | 45.9 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.2 | -39.4 | 179.5 | -168.6 | -176.1 | 150.5 | 0 | 0 | 111.8 | E24 L30 E31 R32 V109 H113 | E24-E28 PolarHBondContact O-N 3.31Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L30 PolarHBondContact O-N 2.95Å; E28-E31 PolarHBondContact O-N 3.38Å; E28-R32 HydrophobicContact CG-CG 4.49Å; E28-R32 WeakPolarHBondContact O-CB 3.49Å; E28-R32 VanDerWaalsContact O-CG 3.29Å; E28-R32 WeakPolarHBondContact O-CG 3.49Å; E28-R32 PolarHBondContact O-N 3.38Å; E28-R32 IonicContact OE1-CZ 3.48Å; E28-R32 VanDerWaalsContact OE1-CZ 3.22Å; E28-R32 IonicContact OE1-NE 3.48Å; E28-R32 PolarHBondContact OE1-NE 2.91Å; E28-R32 IonicContact OE1-NH2 3.61Å; E28-R32 PolarHBondContact OE1-NH2 2.97Å; E28-V109 HydrophobicContact CB-CG2 4.16Å; E28-V109 HydrophobicContact CG-CG2 3.97Å; E28-H113 IonicContact OE1-NE2 2.79Å; E28-H113 IonicContact OE2-CD2 2.73Å; E28-H113 IonicContact OE2-CE1 3.22Å; E28-H113 IonicContact OE2-NE2 2.85Å; E28-H113 PolarHBondContact OE2-NE2 3.07Å |
| 29 | T | 98.9 | Very high | 97.8 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 3% | 0.031 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 175 | -64.1 | 0 | 0 | 0 | 0 | 111.2 | Y25 A27 M33 L102 C105 F106 | Y25-T29 VanDerWaalsContact O-CB 3.29Å; Y25-T29 WeakPolarHBondContact O-CB 3.31Å; Y25-T29 PolarHBondContact O-N 3.49Å; Y25-T29 PolarHBondContact O-OG1 3.5Å; A27-T29 VanDerWaalsContact C-N 3.29Å; A27-T29 PolarHBondContact O-N 2.95Å; T29-M33 PolarHBondContact O-N 2.89Å; T29-M33 VanDerWaalsContact O-N 3.08Å; T29-L102 HydrophobicContact CG2-CD1 3.7Å; T29-L102 HydrophobicContact CG2-CG 4.36Å; T29-C105 HydrophobicContact CG2-CB 4.12Å; T29-F106 HydrophobicContact CG2-CB 3.92Å |
| 30 | L | 98.9 | Very high | 98.1 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -69.1 | -44.8 | 178.3 | -70.4 | 174.5 | 0 | 0 | 0 | 112.3 | G26 A27 E28 R32 M33 F34 I56 H59 L102 | G26-L30 WeakPolarHBondContact O-CG 3.42Å; G26-L30 PolarHBondContact O-N 3.45Å; A27-L30 PolarHBondContact O-N 3.35Å; A27-L30 VanDerWaalsContact O-N 3.1Å; E28-L30 VanDerWaalsContact C-N 3.31Å; E28-L30 PolarHBondContact O-N 2.95Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.48Å; L30-M33 HydrophobicContact CD2-CE 3.98Å; L30-M33 WeakPolarHBondContact O-CB 3.42Å; L30-M33 PolarHBondContact O-N 3.24Å; L30-M33 VanDerWaalsContact O-N 3.14Å; L30-F34 HydrophobicContact CB-CD2 4.45Å; L30-F34 HydrophobicContact CB-CE2 3.95Å; L30-F34 HydrophobicContact CB-CZ 4.46Å; L30-F34 HydrophobicContact CD2-CZ 4.46Å; L30-F34 WeakPolarHBondContact O-CD2 3.48Å; L30-F34 VanDerWaalsContact O-CG 3.28Å; L30-F34 WeakPolarHBondContact O-CG 3.4Å; L30-F34 PolarHBondContact O-N 3.37Å; L30-I56 HydrophobicContact CB-CG2 4.14Å; L30-I56 HydrophobicContact CD1-CG2 4.44Å; L30-H59 HydrophobicContact CD1-CB 4.23Å; L30-L102 HydrophobicContact CD2-CD1 3.87Å |
| 31 | E | 98.7 | Very high | 98.3 | Very high | 31 Ų | 31 | 47.4 Ų | 47.4 | 15% | 0.145 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.5 | -45 | 177.1 | -69.7 | -169.1 | -175.3 | 0 | 0 | 110.9 | A27 E28 M33 F34 I35 H51 G52 I56 | A27-E31 PolarHBondContact O-N 3.37Å; E28-E31 PolarHBondContact O-N 3.38Å; E31-M33 VanDerWaalsContact C-N 3.33Å; E31-M33 PolarHBondContact O-N 3.49Å; E31-F34 PolarHBondContact O-N 3.28Å; E31-I35 WeakPolarHBondContact O-CB 3.45Å; E31-I35 VanDerWaalsContact O-CG1 3.28Å; E31-I35 WeakPolarHBondContact O-CG1 3.43Å; E31-I35 PolarHBondContact O-N 3.15Å; E31-H51 IonicContact OE1-ND1 3.87Å; E31-H51 PolarHBondContact OE1-ND1 2.97Å; E31-H51 IonicContact OE2-CE1 2.68Å; E31-H51 IonicContact OE2-CG 3.8Å; E31-H51 IonicContact OE2-ND1 3.42Å; E31-H51 PolarHBondContact OE2-ND1 3.38Å; E31-G52 PolarHBondContact OE1-N 3.18Å; E31-G52 VanDerWaalsContact OE1-N 3.11Å; E31-I56 HydrophobicContact CG-CD1 4.01Å; E31-I56 HydrophobicContact CG-CG2 3.92Å |
| 32 | R | 98.8 | Very high | 98.4 | Very high | 81 Ų | 81 | 49.1 Ų | 49.1 | 31% | 0.306 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 174.7 | -74.2 | 176.3 | -179.4 | -68.8 | -13.4 | 112.2 | E28 L30 I35 T36 C105 | E28-R32 HydrophobicContact CG-CG 4.49Å; E28-R32 WeakPolarHBondContact O-CB 3.49Å; E28-R32 VanDerWaalsContact O-CG 3.29Å; E28-R32 WeakPolarHBondContact O-CG 3.49Å; E28-R32 PolarHBondContact O-N 3.38Å; E28-R32 IonicContact OE1-CZ 3.48Å; E28-R32 VanDerWaalsContact OE1-CZ 3.22Å; E28-R32 IonicContact OE1-NE 3.48Å; E28-R32 PolarHBondContact OE1-NE 2.91Å; E28-R32 IonicContact OE1-NH2 3.61Å; E28-R32 PolarHBondContact OE1-NH2 2.97Å; L30-R32 VanDerWaalsContact C-N 3.31Å; L30-R32 PolarHBondContact O-N 3.48Å; R32-I35 PolarHBondContact O-N 2.74Å; R32-T36 WeakPolarHBondContact O-CB 3.39Å; R32-T36 PolarHBondContact O-N 2.88Å; R32-T36 PolarHBondContact O-OG1 2.94Å; R32-C105 HydrophobicContact CB-CB 4.18Å |
| 33 | M | 98.8 | Very high | 98.5 | Very high | 11 Ų | 11 | 52.2 Ų | 52.2 | 5% | 0.054 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.1 | -46.6 | 177 | -176 | -172.4 | 67.5 | 0 | 0 | 111.1 | T29 L30 E31 I35 Y37 T40 F44 L102 C105 | T29-M33 PolarHBondContact O-N 2.89Å; T29-M33 VanDerWaalsContact O-N 3.08Å; L30-M33 HydrophobicContact CD2-CE 3.98Å; L30-M33 WeakPolarHBondContact O-CB 3.42Å; L30-M33 PolarHBondContact O-N 3.24Å; L30-M33 VanDerWaalsContact O-N 3.14Å; E31-M33 VanDerWaalsContact C-N 3.33Å; E31-M33 PolarHBondContact O-N 3.49Å; M33-I35 VanDerWaalsContact C-N 3.34Å; M33-I35 PolarHBondContact O-N 3.36Å; M33-Y37 HydrophobicContact CG-CD2 4.34Å; M33-Y37 CarbonylContact O-C 3.46Å; M33-Y37 WeakPolarHBondContact O-CA 3.45Å; M33-Y37 WeakPolarHBondContact O-CB 3.49Å; M33-Y37 PolarHBondContact O-N 3.46Å; M33-T40 HydrophobicContact CE-CG2 4.49Å; M33-T40 HydrophobicContact CG-CG2 3.89Å; M33-T40 HydrophobicContact SD-CG2 4Å; M33-F44 HydrophobicContact CE-CE2 4.48Å; M33-L102 HydrophobicContact CE-CD1 4.32Å; M33-L102 HydrophobicContact SD-CB 3.93Å; M33-L102 HydrophobicContact SD-CD1 3.7Å; M33-L102 HydrophobicContact SD-CG 4.4Å; M33-C105 VanDerWaalsContact CA-SG 3.55Å; M33-C105 HydrophobicContact CB-CB 4.44Å |
| 34 | F | 98.7 | Very high | 98.6 | Very high | 6 Ų | 6 | 49.7 Ų | 49.7 | 3% | 0.026 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -36.5 | 179.9 | -63.5 | -38.6 | 0 | 0 | 0 | 112.6 | L30 E31 K41 F44 L49 I56 | L30-F34 HydrophobicContact CB-CD2 4.45Å; L30-F34 HydrophobicContact CB-CE2 3.95Å; L30-F34 HydrophobicContact CB-CZ 4.46Å; L30-F34 HydrophobicContact CD2-CZ 4.46Å; L30-F34 WeakPolarHBondContact O-CD2 3.48Å; L30-F34 VanDerWaalsContact O-CG 3.28Å; L30-F34 WeakPolarHBondContact O-CG 3.4Å; L30-F34 PolarHBondContact O-N 3.37Å; E31-F34 PolarHBondContact O-N 3.28Å; F34-K41 HydrophobicContact CB-CG 4.06Å; F34-K41 HydrophobicContact CD1-CG 3.95Å; F34-K41 HydrophobicContact CG-CG 4.28Å; F34-K41 WeakPolarHBondContact O-CE 3.46Å; F34-F44 AromaticContact CE1-CD2 3.47Å; F34-F44 HydrophobicContact CE1-CD2 3.47Å; F34-F44 VanDerWaalsContact CE1-CD2 3.47Å; F34-F44 AromaticContact CE1-CE2 3.7Å; F34-F44 HydrophobicContact CE1-CE2 3.7Å; F34-F44 HydrophobicContact CE1-CG 4.2Å; F34-F44 HydrophobicContact CZ-CD1 4.44Å; F34-F44 AromaticContact CZ-CD2 3.64Å; F34-F44 HydrophobicContact CZ-CD2 3.64Å; F34-F44 AromaticContact CZ-CE2 3.81Å; F34-F44 HydrophobicContact CZ-CE2 3.81Å; F34-F44 AromaticContact CZ-CG 3.97Å; F34-F44 HydrophobicContact CZ-CG 3.97Å; F34-F44 HydrophobicContact CZ-CZ 4.29Å; F34-L49 HydrophobicContact CD2-CD2 3.94Å; F34-L49 HydrophobicContact CE2-CD2 3.6Å; F34-L49 HydrophobicContact CZ-CD2 3.98Å; F34-I56 HydrophobicContact CD2-CD1 4.25Å; F34-I56 HydrophobicContact CE2-CD1 4.27Å; F34-I56 HydrophobicContact CE2-CG1 4.33Å |
| 35 | I | 98.5 | Very high | 98.6 | Very high | 127 Ų | 127 | 50.1 Ų | 50.1 | 65% | 0.651 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -72.9 | -49.4 | 177.9 | -67.5 | 165.3 | 0 | 0 | 0 | 110.9 | E31 R32 M33 | E31-I35 WeakPolarHBondContact O-CB 3.45Å; E31-I35 VanDerWaalsContact O-CG1 3.28Å; E31-I35 WeakPolarHBondContact O-CG1 3.43Å; E31-I35 PolarHBondContact O-N 3.15Å; R32-I35 PolarHBondContact O-N 2.74Å; M33-I35 VanDerWaalsContact C-N 3.34Å; M33-I35 PolarHBondContact O-N 3.36Å |
| 36 | T | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 55.5 Ų | 55.5 | 50% | 0.503 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -77.3 | -32.5 | -172.5 | -46.9 | 0 | 0 | 0 | 0 | 112.2 | R32 | R32-T36 WeakPolarHBondContact O-CB 3.39Å; R32-T36 PolarHBondContact O-N 2.88Å; R32-T36 PolarHBondContact O-OG1 2.94Å |
| 37 | Y | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 57.3 Ų | 57.3 | 22% | 0.224 | 29% | 0.291 | C | S | . | . | trans | -128.7 | 72.7 | -175.8 | -52.4 | -61.7 | 0 | 0 | 0 | 110.7 | M33 Q39 T40 L101 Q104 | M33-Y37 HydrophobicContact CG-CD2 4.34Å; M33-Y37 CarbonylContact O-C 3.46Å; M33-Y37 WeakPolarHBondContact O-CA 3.45Å; M33-Y37 WeakPolarHBondContact O-CB 3.49Å; M33-Y37 PolarHBondContact O-N 3.46Å; Y37-Q39 VanDerWaalsContact CA-OE1 3.31Å; Y37-Q39 PolarHBondContact O-N 3.41Å; Y37-Q39 PolarHBondContact O-OE1 2.91Å; Y37-T40 WeakPolarHBondContact O-CB 3.39Å; Y37-T40 WeakPolarHBondContact O-CG2 3.32Å; Y37-T40 PolarHBondContact O-N 3.31Å; Y37-T40 PolarHBondContact O-OG1 3.46Å; Y37-L101 HydrophobicContact CD1-CD1 4.22Å; Y37-L101 HydrophobicContact CD1-CD2 4.13Å; Y37-L101 HydrophobicContact CD2-CB 3.74Å; Y37-L101 HydrophobicContact CD2-CD1 4.25Å; Y37-L101 HydrophobicContact CD2-CD2 4.3Å; Y37-L101 HydrophobicContact CD2-CG 4.31Å; Y37-L101 HydrophobicContact CE1-CD2 3.93Å; Y37-L101 HydrophobicContact CE2-CB 3.89Å; Y37-L101 HydrophobicContact CE2-CD2 4.09Å; Y37-L101 HydrophobicContact CE2-CG 4.47Å; Y37-L101 HydrophobicContact CG-CB 4.26Å; Y37-L101 HydrophobicContact CG-CD1 3.9Å; Y37-L101 HydrophobicContact CG-CD2 4.31Å; Y37-L101 HydrophobicContact CG-CG 4.38Å; Y37-Q104 PolarHBondContact OH-OE1 3.21Å | ||
| 38 | P | 98.1 | Very high | 98.5 | Very high | 73 Ų | 73 | 60.3 Ų | 60.3 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -57.7 | -25 | -171.8 | -26.2 | 35.6 | 0 | 0 | 0 | 115.1 | T40 K41 | P38-T40 PolarHBondContact O-N 3.43Å; P38-K41 VanDerWaalsContact O-CB 3.28Å; P38-K41 WeakPolarHBondContact O-CB 3.33Å; P38-K41 VanDerWaalsContact O-CG 3.31Å; P38-K41 WeakPolarHBondContact O-CG 3.45Å; P38-K41 PolarHBondContact O-N 2.89Å |
| 39 | Q | 98.3 | Very high | 98.5 | Very high | 102 Ų | 102 | 60.9 Ų | 60.9 | 48% | 0.477 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -58 | -27.4 | 174.8 | 71.9 | -80.2 | 16.3 | 0 | 0 | 112.8 | Y37 K41 T42 | Y37-Q39 VanDerWaalsContact CA-OE1 3.31Å; Y37-Q39 PolarHBondContact O-N 3.41Å; Y37-Q39 PolarHBondContact O-OE1 2.91Å; Q39-K41 PolarHBondContact O-N 3.45Å; Q39-T42 WeakPolarHBondContact O-CB 3.17Å; Q39-T42 WeakPolarHBondContact O-CG2 3.49Å; Q39-T42 PolarHBondContact O-N 3.04Å; Q39-T42 PolarHBondContact O-OG1 3.08Å |
| 40 | T | 98.6 | Very high | 98.4 | Very high | 2 Ų | 2 | 67.6 Ų | 67.6 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -68.2 | -20.9 | 177.7 | 63.4 | 0 | 0 | 0 | 0 | 112.9 | M33 Y37 P38 T42 Y43 L101 | M33-T40 HydrophobicContact CE-CG2 4.49Å; M33-T40 HydrophobicContact CG-CG2 3.89Å; M33-T40 HydrophobicContact SD-CG2 4Å; Y37-T40 WeakPolarHBondContact O-CB 3.39Å; Y37-T40 WeakPolarHBondContact O-CG2 3.32Å; Y37-T40 PolarHBondContact O-N 3.31Å; Y37-T40 PolarHBondContact O-OG1 3.46Å; P38-T40 PolarHBondContact O-N 3.43Å; T40-T42 PolarHBondContact O-N 2.95Å; T40-Y43 WeakPolarHBondContact O-CD2 3.28Å; T40-Y43 PolarHBondContact O-N 2.95Å; T40-L101 HydrophobicContact CG2-CD1 4.1Å |
| 41 | K | 98.5 | Very high | 98.3 | Very high | 87 Ų | 87 | 75.2 Ų | 75.2 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -64 | -23.3 | 176.7 | -59.6 | -176.8 | -169.1 | -175.2 | 0 | 112.6 | F34 P38 Q39 Y43 F44 L49 | F34-K41 HydrophobicContact CB-CG 4.06Å; F34-K41 HydrophobicContact CD1-CG 3.95Å; F34-K41 HydrophobicContact CG-CG 4.28Å; F34-K41 WeakPolarHBondContact O-CE 3.46Å; P38-K41 VanDerWaalsContact O-CB 3.28Å; P38-K41 WeakPolarHBondContact O-CB 3.33Å; P38-K41 VanDerWaalsContact O-CG 3.31Å; P38-K41 WeakPolarHBondContact O-CG 3.45Å; P38-K41 PolarHBondContact O-N 2.89Å; Q39-K41 PolarHBondContact O-N 3.45Å; K41-Y43 PolarHBondContact O-N 3.41Å; K41-Y43 VanDerWaalsContact O-N 3.17Å; K41-F44 CarbonylContact O-C 3.57Å; K41-F44 PolarHBondContact O-N 3.45Å; K41-L49 HydrophobicContact CB-CD1 3.87Å; K41-L49 HydrophobicContact CD-CD1 4.17Å; K41-L49 HydrophobicContact CG-CD1 3.92Å |
| 42 | T | 98.3 | Very high | 98.1 | Very high | 103 Ų | 103 | 75.1 Ų | 75.1 | 63% | 0.632 | 38% | 0.383 | S | S | * | . | G | 310 helix | trans | -62 | -21.9 | -179.6 | 61.1 | 0 | 0 | 0 | 0 | 113.5 | Q39 T40 F44 P45 | Q39-T42 WeakPolarHBondContact O-CB 3.17Å; Q39-T42 WeakPolarHBondContact O-CG2 3.49Å; Q39-T42 PolarHBondContact O-N 3.04Å; Q39-T42 PolarHBondContact O-OG1 3.08Å; T40-T42 PolarHBondContact O-N 2.95Å; T42-F44 VanDerWaalsContact C-N 3.31Å; T42-P45 WeakPolarHBondContact O-CD 3.48Å |
| 43 | Y | 98.4 | Very high | 98.1 | Very high | 72 Ų | 72 | 71.6 Ų | 71.6 | 28% | 0.282 | 37% | 0.371 | S | S | . | . | G | 310 helix | trans | -80.2 | -11.1 | 174.2 | -63.1 | -76.5 | 0 | 0 | 0 | 113.6 | T40 K41 V94 D95 N98 | T40-Y43 WeakPolarHBondContact O-CD2 3.28Å; T40-Y43 PolarHBondContact O-N 2.95Å; K41-Y43 PolarHBondContact O-N 3.41Å; K41-Y43 VanDerWaalsContact O-N 3.17Å; Y43-V94 HydrophobicContact CD1-CG2 3.95Å; Y43-V94 HydrophobicContact CE1-CB 4.19Å; Y43-V94 HydrophobicContact CE1-CG1 4.29Å; Y43-V94 HydrophobicContact CE1-CG2 4.11Å; Y43-V94 HydrophobicContact CE2-CG1 4.34Å; Y43-V94 HydrophobicContact CG-CG2 4.46Å; Y43-D95 WeakPolarHBondContact OH-CB 3.49Å; Y43-D95 PolarHBondContact OH-N 2.98Å; Y43-N98 WeakPolarHBondContact CE2-ND2 3.28Å; Y43-N98 PolarHBondContact OH-ND2 3.27Å |
| 44 | F | 98.4 | Very high | 98.1 | Very high | 31 Ų | 31 | 74.8 Ų | 74.8 | 14% | 0.136 | 40% | 0.399 | C | S | . | . | trans | -125.1 | 45.6 | -174.2 | -59.3 | -89.8 | 0 | 0 | 0 | 113.3 | M33 F34 K41 T42 H46 F47 L49 H59 | M33-F44 HydrophobicContact CE-CE2 4.48Å; F34-F44 AromaticContact CE1-CD2 3.47Å; F34-F44 HydrophobicContact CE1-CD2 3.47Å; F34-F44 VanDerWaalsContact CE1-CD2 3.47Å; F34-F44 AromaticContact CE1-CE2 3.7Å; F34-F44 HydrophobicContact CE1-CE2 3.7Å; F34-F44 HydrophobicContact CE1-CG 4.2Å; F34-F44 HydrophobicContact CZ-CD1 4.44Å; F34-F44 AromaticContact CZ-CD2 3.64Å; F34-F44 HydrophobicContact CZ-CD2 3.64Å; F34-F44 AromaticContact CZ-CE2 3.81Å; F34-F44 HydrophobicContact CZ-CE2 3.81Å; F34-F44 AromaticContact CZ-CG 3.97Å; F34-F44 HydrophobicContact CZ-CG 3.97Å; F34-F44 HydrophobicContact CZ-CZ 4.29Å; K41-F44 CarbonylContact O-C 3.57Å; K41-F44 PolarHBondContact O-N 3.45Å; T42-F44 VanDerWaalsContact C-N 3.31Å; F44-H46 PolarHBondContact O-N 3.44Å; F44-H46 VanDerWaalsContact O-N 3.07Å; F44-F47 HydrophobicContact CB-CB 4.13Å; F44-F47 HydrophobicContact CB-CG 4.23Å; F44-F47 HydrophobicContact CD1-CD1 4.21Å; F44-F47 HydrophobicContact CD1-CD2 4.05Å; F44-F47 HydrophobicContact CD1-CE1 4.24Å; F44-F47 HydrophobicContact CD1-CE2 4.07Å; F44-F47 HydrophobicContact CD1-CG 4.14Å; F44-F47 HydrophobicContact CD1-CZ 4.16Å; F44-F47 HydrophobicContact CE1-CE2 4.45Å; F44-F47 HydrophobicContact CE1-CZ 4.49Å; F44-F47 PolarHBondContact O-N 2.88Å; F44-F47 VanDerWaalsContact O-N 3.14Å; F44-L49 HydrophobicContact CB-CD1 4.44Å; F44-L49 HydrophobicContact CB-CD2 4.19Å; F44-H59 AromaticContact CE1-CD2 3.67Å; F44-H59 AromaticContact CE1-NE2 3.56Å; F44-H59 AromaticContact CZ-NE2 3.81Å | ||
| 45 | P | 98 | Very high | 98.1 | Very high | 114 Ų | 114 | 78.3 Ų | 78.3 | 74% | 0.74 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.2 | -13.4 | -178.2 | 31 | -37.3 | 0 | 0 | 0 | 113.3 | T42 | T42-P45 WeakPolarHBondContact O-CD 3.48Š|
| 46 | H | 97.8 | Very high | 98.1 | Very high | 127 Ų | 127 | 72.3 Ų | 72.3 | 59% | 0.588 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 5.3 | -178.2 | 58.6 | -75.6 | 0 | 0 | 0 | 112.7 | F44 Q55 | F44-H46 PolarHBondContact O-N 3.44Å; F44-H46 VanDerWaalsContact O-N 3.07Å; H46-Q55 PolarHBondContact O-NE2 3.31Å |
| 47 | F | 98.3 | Very high | 98.1 | Very high | 42 Ų | 42 | 72.7 Ų | 72.7 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -101.9 | 141.9 | 176.9 | -85.6 | 39.2 | 0 | 0 | 0 | 110.7 | F44 L49 Q55 H59 | F44-F47 HydrophobicContact CB-CB 4.13Å; F44-F47 HydrophobicContact CB-CG 4.23Å; F44-F47 HydrophobicContact CD1-CD1 4.21Å; F44-F47 HydrophobicContact CD1-CD2 4.05Å; F44-F47 HydrophobicContact CD1-CE1 4.24Å; F44-F47 HydrophobicContact CD1-CE2 4.07Å; F44-F47 HydrophobicContact CD1-CG 4.14Å; F44-F47 HydrophobicContact CD1-CZ 4.16Å; F44-F47 HydrophobicContact CE1-CE2 4.45Å; F44-F47 HydrophobicContact CE1-CZ 4.49Å; F44-F47 PolarHBondContact O-N 2.88Å; F44-F47 VanDerWaalsContact O-N 3.14Å; F47-L49 HydrophobicContact CB-CD2 3.62Å; F47-L49 HydrophobicContact CB-CG 4.1Å; F47-L49 HydrophobicContact CD2-CD2 4.31Å; F47-L49 HydrophobicContact CG-CD2 4.42Å; F47-L49 PolarHBondContact O-N 3.47Å; F47-Q55 HydrophobicContact CD2-CB 3.77Å; F47-Q55 HydrophobicContact CE2-CB 3.97Å; F47-Q55 WeakPolarHBondContact CE2-O 3.26Å; F47-Q55 HydrophobicContact CG-CB 4.11Å; F47-Q55 HydrophobicContact CZ-CB 4.48Å; F47-H59 HydrophobicContact CE2-CB 3.64Å; F47-H59 HydrophobicContact CZ-CB 3.92Å |
| 48 | D | 98.4 | Very high | 98.1 | Very high | 71 Ų | 71 | 72.5 Ų | 72.5 | 38% | 0.38 | 39% | 0.39 | S | S | . | . | trans | -66.1 | 112.8 | 150.6 | 178.5 | 13 | 0 | 0 | 0 | 108.6 | H50 S53 | D48-H50 WeakPolarHBondContact OD1-CB 3.4Å; D48-H50 IonicContact OD1-CE1 3.72Å; D48-H50 IonicContact OD1-CG 2.76Å; D48-H50 PolarHBondContact OD1-N 3.37Å; D48-H50 IonicContact OD1-ND1 4Å; D48-H50 PolarHBondContact OD1-ND1 3.31Å; D48-S53 WeakPolarHBondContact O-CB 3.41Å; D48-S53 PolarHBondContact O-OG 3.07Å | ||
| 49 | L | 98.4 | Very high | 98.2 | Very high | 51 Ų | 51 | 71.6 Ų | 71.6 | 27% | 0.267 | 38% | 0.379 | S | S | . | . | trans | -101.3 | 12.6 | -178.9 | -62.7 | -178.2 | 0 | 0 | 0 | 113.6 | F34 K41 F44 F47 I56 | F34-L49 HydrophobicContact CD2-CD2 3.94Å; F34-L49 HydrophobicContact CE2-CD2 3.6Å; F34-L49 HydrophobicContact CZ-CD2 3.98Å; K41-L49 HydrophobicContact CB-CD1 3.87Å; K41-L49 HydrophobicContact CD-CD1 4.17Å; K41-L49 HydrophobicContact CG-CD1 3.92Å; F44-L49 HydrophobicContact CB-CD1 4.44Å; F44-L49 HydrophobicContact CB-CD2 4.19Å; F47-L49 HydrophobicContact CB-CD2 3.62Å; F47-L49 HydrophobicContact CB-CG 4.1Å; F47-L49 HydrophobicContact CD2-CD2 4.31Å; F47-L49 HydrophobicContact CG-CD2 4.42Å; F47-L49 PolarHBondContact O-N 3.47Å; L49-I56 HydrophobicContact CD2-CD1 4.28Å; L49-I56 HydrophobicContact CD2-CG1 4.25Å | ||
| 50 | H | 97.6 | Very high | 98.2 | Very high | 145 Ų | 145 | 66.7 Ų | 66.7 | 67% | 0.671 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -70.9 | 153.8 | 173.3 | -61.4 | 91.3 | 0 | 0 | 0 | 111.2 | D48 G52 S53 | D48-H50 WeakPolarHBondContact OD1-CB 3.4Å; D48-H50 IonicContact OD1-CE1 3.72Å; D48-H50 IonicContact OD1-CG 2.76Å; D48-H50 PolarHBondContact OD1-N 3.37Å; D48-H50 IonicContact OD1-ND1 4Å; D48-H50 PolarHBondContact OD1-ND1 3.31Å; H50-G52 PolarHBondContact O-N 3.37Å; H50-S53 WeakPolarHBondContact O-CB 3.3Å; H50-S53 PolarHBondContact O-N 3.03Å; H50-S53 VanDerWaalsContact O-N 3.11Å |
| 51 | H | 97.5 | Very high | 98.2 | Very high | 165 Ų | 165 | 71 Ų | 71 | 76% | 0.764 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | 132.8 | 177.3 | 174.6 | 63.9 | 0 | 0 | 0 | 111.1 | E31 S53 | E31-H51 IonicContact OE1-ND1 3.87Å; E31-H51 PolarHBondContact OE1-ND1 2.97Å; E31-H51 IonicContact OE2-CE1 2.68Å; E31-H51 IonicContact OE2-CG 3.8Å; E31-H51 IonicContact OE2-ND1 3.42Å; E31-H51 PolarHBondContact OE2-ND1 3.38Å; H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.47Å |
| 52 | G | 94.8 | Very high | 98.2 | Very high | 29 Ų | 29 | 74 Ų | 74 | 30% | 0.299 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 1.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | E31 H50 A54 | E31-G52 PolarHBondContact OE1-N 3.18Å; E31-G52 VanDerWaalsContact OE1-N 3.11Å; H50-G52 PolarHBondContact O-N 3.37Å; G52-A54 PolarHBondContact O-N 2.95Å |
| 53 | S | 98.3 | Very high | 98.2 | Very high | 7 Ų | 7 | 70.5 Ų | 70.5 | 5% | 0.049 | 37% | 0.366 | C | S | . | . | trans | -48.7 | 129.7 | 175.3 | 163.3 | 0 | 0 | 0 | 0 | 112.2 | D48 H50 H51 Q55 I56 K57 | D48-S53 WeakPolarHBondContact O-CB 3.41Å; D48-S53 PolarHBondContact O-OG 3.07Å; H50-S53 WeakPolarHBondContact O-CB 3.3Å; H50-S53 PolarHBondContact O-N 3.03Å; H50-S53 VanDerWaalsContact O-N 3.11Å; H51-S53 VanDerWaalsContact C-N 3.29Å; H51-S53 PolarHBondContact O-N 3.47Å; S53-Q55 PolarHBondContact O-N 2.81Å; S53-Q55 PolarHBondContact OG-N 2.91Å; S53-Q55 VanDerWaalsContact OG-N 3.16Å; S53-I56 PolarHBondContact O-N 2.88Å; S53-I56 PolarHBondContact OG-N 3.17Å; S53-K57 PolarHBondContact O-N 3.07Å | ||
| 54 | A | 98.5 | Very high | 98.2 | Very high | 78 Ų | 78 | 67.2 Ų | 67.2 | 65% | 0.645 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -62.6 | -29.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | G52 K57 A58 | G52-A54 PolarHBondContact O-N 2.95Å; A54-K57 PolarHBondContact O-N 2.93Å; A54-A58 VanDerWaalsContact O-CB 3.26Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 2.93Å |
| 55 | Q | 98.8 | Very high | 98.2 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 37% | 0.374 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70 | -41.5 | 177.4 | -65.3 | 178.4 | -79.9 | 0 | 0 | 111.2 | H46 F47 S53 H59 | H46-Q55 PolarHBondContact O-NE2 3.31Å; F47-Q55 HydrophobicContact CD2-CB 3.77Å; F47-Q55 HydrophobicContact CE2-CB 3.97Å; F47-Q55 WeakPolarHBondContact CE2-O 3.26Å; F47-Q55 HydrophobicContact CG-CB 4.11Å; F47-Q55 HydrophobicContact CZ-CB 4.48Å; S53-Q55 PolarHBondContact O-N 2.81Å; S53-Q55 PolarHBondContact OG-N 2.91Å; S53-Q55 VanDerWaalsContact OG-N 3.16Å; Q55-H59 VanDerWaalsContact O-CB 3.32Å; Q55-H59 WeakPolarHBondContact O-CB 3.24Å; Q55-H59 PolarHBondContact O-N 3.19Å |
| 56 | I | 98.7 | Very high | 98.2 | Very high | 1 Ų | 1 | 65.2 Ų | 65.2 | 1% | 0.005 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -61.2 | -48.4 | 173.1 | -66.4 | -176.9 | 0 | 0 | 0 | 110.1 | A27 L30 E31 F34 L49 S53 A58 H59 G60 | A27-I56 HydrophobicContact CB-CG2 4.14Å; L30-I56 HydrophobicContact CB-CG2 4.14Å; L30-I56 HydrophobicContact CD1-CG2 4.44Å; E31-I56 HydrophobicContact CG-CD1 4.01Å; E31-I56 HydrophobicContact CG-CG2 3.92Å; F34-I56 HydrophobicContact CD2-CD1 4.25Å; F34-I56 HydrophobicContact CE2-CD1 4.27Å; F34-I56 HydrophobicContact CE2-CG1 4.33Å; L49-I56 HydrophobicContact CD2-CD1 4.28Å; L49-I56 HydrophobicContact CD2-CG1 4.25Å; S53-I56 PolarHBondContact O-N 2.88Å; S53-I56 PolarHBondContact OG-N 3.17Å; I56-A58 PolarHBondContact O-N 3.21Å; I56-H59 PolarHBondContact O-N 3.31Å; I56-G60 PolarHBondContact O-N 3.37Å |
| 57 | K | 98.6 | Very high | 98.3 | Very high | 89 Ų | 89 | 60.1 Ų | 60.1 | 39% | 0.387 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.2 | -49.9 | 179.6 | -69.3 | 176.4 | -179.3 | 176 | 0 | 112.4 | E23 A27 S53 A54 H59 G60 K61 | E23-K57 HydrophobicContact CG-CB 4.27Å; A27-K57 HydrophobicContact CB-CG 4.03Å; S53-K57 PolarHBondContact O-N 3.07Å; A54-K57 PolarHBondContact O-N 2.93Å; K57-H59 VanDerWaalsContact C-N 3.31Å; K57-H59 PolarHBondContact O-N 2.95Å; K57-G60 PolarHBondContact O-N 3.16Å; K57-K61 PolarHBondContact O-N 3.48Å |
| 58 | A | 98.6 | Very high | 98.3 | Very high | 53 Ų | 53 | 59.2 Ų | 59.2 | 44% | 0.438 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A54 I56 K62 | A54-A58 VanDerWaalsContact O-CB 3.26Å; A54-A58 WeakPolarHBondContact O-CB 3.39Å; A54-A58 PolarHBondContact O-N 2.93Å; I56-A58 PolarHBondContact O-N 3.21Å; A58-K62 WeakPolarHBondContact O-CG 3.48Å; A58-K62 PolarHBondContact O-N 2.71Å |
| 59 | H | 98.7 | Very high | 98.3 | Very high | 54 Ų | 54 | 59.7 Ų | 59.7 | 25% | 0.25 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -74.2 | -41.7 | 177.3 | -168.2 | 61.5 | 0 | 0 | 0 | 112.3 | L30 F44 F47 Q55 I56 K57 K61 K62 V63 | L30-H59 HydrophobicContact CD1-CB 4.23Å; F44-H59 AromaticContact CE1-CD2 3.67Å; F44-H59 AromaticContact CE1-NE2 3.56Å; F44-H59 AromaticContact CZ-NE2 3.81Å; F47-H59 HydrophobicContact CE2-CB 3.64Å; F47-H59 HydrophobicContact CZ-CB 3.92Å; Q55-H59 VanDerWaalsContact O-CB 3.32Å; Q55-H59 WeakPolarHBondContact O-CB 3.24Å; Q55-H59 PolarHBondContact O-N 3.19Å; I56-H59 PolarHBondContact O-N 3.31Å; K57-H59 VanDerWaalsContact C-N 3.31Å; K57-H59 PolarHBondContact O-N 2.95Å; H59-K61 VanDerWaalsContact C-N 3.29Å; H59-K61 PolarHBondContact O-N 3.47Å; H59-K62 WeakPolarHBondContact O-CA 3.44Å; H59-K62 WeakPolarHBondContact O-CB 3.41Å; H59-K62 PolarHBondContact O-N 2.96Å; H59-V63 PolarHBondContact O-N 3.05Å |
| 60 | G | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55 | -45.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G26 I56 K57 K62 V63 A64 | G26-G60 VanDerWaalsContact C-CA 3.42Å; I56-G60 PolarHBondContact O-N 3.37Å; K57-G60 PolarHBondContact O-N 3.16Å; G60-K62 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 2.76Å; G60-V63 PolarHBondContact O-N 3.18Å; G60-A64 WeakPolarHBondContact O-CB 3.49Å; G60-A64 PolarHBondContact O-N 2.93Å |
| 61 | K | 98.5 | Very high | 98.3 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -57.4 | -42.7 | 172.7 | -171.2 | 177.4 | -164.1 | 157.2 | 0 | 113 | E23 K57 H59 A64 N65 | E23-K61 HydrophobicContact CB-CB 4.07Å; E23-K61 HydrophobicContact CB-CD 4.18Å; E23-K61 HydrophobicContact CB-CG 4.18Å; E23-K61 HydrophobicContact CG-CB 4.17Å; E23-K61 HydrophobicContact CG-CD 4.39Å; E23-K61 WeakPolarHBondContact OE2-CD 3.44Å; E23-K61 IonicContact OE2-NZ 3.72Å; E23-K61 PolarHBondContact OE2-NZ 2.98Å; E23-K61 VanDerWaalsContact OE2-NZ 3.14Å; K57-K61 PolarHBondContact O-N 3.48Å; H59-K61 VanDerWaalsContact C-N 3.29Å; H59-K61 PolarHBondContact O-N 3.47Å; K61-A64 PolarHBondContact O-N 3.24Å; K61-N65 VanDerWaalsContact O-CB 3.28Å; K61-N65 WeakPolarHBondContact O-CB 3.29Å; K61-N65 PolarHBondContact O-N 3.36Å; K61-N65 PolarHBondContact O-ND2 3.21Å |
| 62 | K | 98.6 | Very high | 98.3 | Very high | 150 Ų | 150 | 47.8 Ų | 47.8 | 65% | 0.652 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -63.4 | -42.4 | 177.2 | -70.3 | 175.7 | 179.5 | 179.5 | 0 | 111.4 | A58 H59 G60 A66 | A58-K62 WeakPolarHBondContact O-CG 3.48Å; A58-K62 PolarHBondContact O-N 2.71Å; H59-K62 WeakPolarHBondContact O-CA 3.44Å; H59-K62 WeakPolarHBondContact O-CB 3.41Å; H59-K62 PolarHBondContact O-N 2.96Å; G60-K62 VanDerWaalsContact C-N 3.33Å; G60-K62 PolarHBondContact O-N 2.76Å; K62-A66 WeakPolarHBondContact O-CB 3.42Å; K62-A66 PolarHBondContact O-N 3.28Å |
| 63 | V | 98.5 | Very high | 98.5 | Very high | 31 Ų | 31 | 50.6 Ų | 50.6 | 19% | 0.188 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -49.6 | 176.7 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | H59 G60 N65 A66 L67 L102 | H59-V63 PolarHBondContact O-N 3.05Å; G60-V63 PolarHBondContact O-N 3.18Å; V63-N65 VanDerWaalsContact C-N 3.34Å; V63-N65 PolarHBondContact O-N 3.49Å; V63-A66 WeakPolarHBondContact O-CB 3.44Å; V63-A66 PolarHBondContact O-N 3.46Å; V63-A66 VanDerWaalsContact O-N 3.16Å; V63-L67 PolarHBondContact O-N 2.9Å; V63-L102 HydrophobicContact CG1-CD2 4.19Å |
| 64 | A | 98.4 | Very high | 98.5 | Very high | 3 Ų | 3 | 50.7 Ų | 50.7 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.5 | -43 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | A22 G60 K61 A66 L67 I68 | A22-A64 HydrophobicContact CB-CB 3.81Å; A22-A64 WeakPolarHBondContact O-CB 3.49Å; G60-A64 WeakPolarHBondContact O-CB 3.49Å; G60-A64 PolarHBondContact O-N 2.93Å; K61-A64 PolarHBondContact O-N 3.24Å; A64-A66 VanDerWaalsContact C-N 3.33Å; A64-A66 PolarHBondContact O-N 2.89Å; A64-L67 PolarHBondContact O-N 2.97Å; A64-I68 WeakPolarHBondContact O-CG1 3.42Å; A64-I68 PolarHBondContact O-N 3.02Å |
| 65 | N | 98.4 | Very high | 98.5 | Very high | 78 Ų | 78 | 52.8 Ų | 52.8 | 42% | 0.417 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.5 | -36.8 | 175.7 | -73 | -8.7 | 0 | 0 | 0 | 112.6 | K61 V63 L67 I68 E69 | K61-N65 VanDerWaalsContact O-CB 3.28Å; K61-N65 WeakPolarHBondContact O-CB 3.29Å; K61-N65 PolarHBondContact O-N 3.36Å; K61-N65 PolarHBondContact O-ND2 3.21Å; V63-N65 VanDerWaalsContact C-N 3.34Å; V63-N65 PolarHBondContact O-N 3.49Å; N65-L67 VanDerWaalsContact C-N 3.33Å; N65-I68 PolarHBondContact O-N 3.07Å; N65-E69 WeakPolarHBondContact O-CB 3.38Å; N65-E69 PolarHBondContact O-N 3.14Å |
| 66 | A | 98.6 | Very high | 98.4 | Very high | 24 Ų | 24 | 52.8 Ų | 52.8 | 20% | 0.198 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | K62 V63 A64 E69 A70 L84 | K62-A66 WeakPolarHBondContact O-CB 3.42Å; K62-A66 PolarHBondContact O-N 3.28Å; V63-A66 WeakPolarHBondContact O-CB 3.44Å; V63-A66 PolarHBondContact O-N 3.46Å; V63-A66 VanDerWaalsContact O-N 3.16Å; A64-A66 VanDerWaalsContact C-N 3.33Å; A64-A66 PolarHBondContact O-N 2.89Å; A66-E69 PolarHBondContact O-N 3.35Å; A66-A70 PolarHBondContact O-N 3.37Å; A66-L84 HydrophobicContact CB-CD1 3.63Å |
| 67 | L | 98.6 | Very high | 98.4 | Very high | 20 Ų | 20 | 53.5 Ų | 53.5 | 11% | 0.105 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -68.6 | -41.2 | 173.3 | -65.7 | 175.5 | 0 | 0 | 0 | 111.7 | F15 V63 A64 N65 E69 A70 V71 F106 F129 L130 V133 | F15-L67 HydrophobicContact CE1-CB 3.54Å; F15-L67 HydrophobicContact CZ-CB 3.79Å; F15-L67 HydrophobicContact CZ-CD1 4.48Å; V63-L67 PolarHBondContact O-N 2.9Å; A64-L67 PolarHBondContact O-N 2.97Å; N65-L67 VanDerWaalsContact C-N 3.33Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 3.25Å; L67-A70 WeakPolarHBondContact O-CB 3.44Å; L67-A70 PolarHBondContact O-N 3.47Å; L67-V71 WeakPolarHBondContact O-CG2 3.48Å; L67-V71 PolarHBondContact O-N 2.92Å; L67-F106 HydrophobicContact CD1-CD2 4Å; L67-F106 HydrophobicContact CD1-CE2 3.85Å; L67-F106 HydrophobicContact CD1-CZ 4.29Å; L67-F129 HydrophobicContact CD2-CE1 4.46Å; L67-L130 HydrophobicContact CD1-CD2 4.48Å; L67-L130 HydrophobicContact CD2-CD2 4.21Å; L67-V133 HydrophobicContact CD2-CG1 4.03Å; L67-V133 HydrophobicContact CD2-CG2 4.47Å |
| 68 | I | 98.4 | Very high | 98.4 | Very high | 24 Ų | 24 | 52.6 Ų | 52.6 | 12% | 0.123 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -58.9 | -44.5 | 173.8 | -69.3 | 161.8 | 0 | 0 | 0 | 110.4 | F15 A22 A64 N65 A70 V71 N72 | F15-I68 HydrophobicContact CD1-CG1 3.84Å; F15-I68 HydrophobicContact CE1-CG1 4.27Å; A22-I68 HydrophobicContact CB-CD1 4.03Å; A64-I68 WeakPolarHBondContact O-CG1 3.42Å; A64-I68 PolarHBondContact O-N 3.02Å; N65-I68 PolarHBondContact O-N 3.07Å; I68-A70 VanDerWaalsContact C-N 3.33Å; I68-A70 PolarHBondContact O-N 2.69Å; I68-V71 WeakPolarHBondContact O-CB 3.48Å; I68-V71 PolarHBondContact O-N 2.94Å; I68-V71 VanDerWaalsContact O-N 3.07Å; I68-N72 PolarHBondContact O-N 3.44Å |
| 69 | E | 98.6 | Very high | 98.4 | Very high | 80 Ų | 80 | 52 Ų | 52 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 176 | -174.7 | 66.9 | 177.3 | 0 | 0 | 111.7 | N65 A66 L67 V71 N72 H73 A80 | N65-E69 WeakPolarHBondContact O-CB 3.38Å; N65-E69 PolarHBondContact O-N 3.14Å; A66-E69 PolarHBondContact O-N 3.35Å; L67-E69 VanDerWaalsContact C-N 3.31Å; L67-E69 PolarHBondContact O-N 3.25Å; E69-V71 PolarHBondContact O-N 3.3Å; E69-N72 PolarHBondContact O-N 2.99Å; E69-H73 PolarHBondContact O-CD2 3.18Å; E69-H73 PolarHBondContact O-N 3.23Å; E69-H73 IonicContact OE1-CD2 3.37Å; E69-H73 PolarHBondContact OE1-CD2 2.75Å; E69-H73 IonicContact OE1-NE2 3.35Å; E69-H73 PolarHBondContact OE1-NE2 3.01Å; E69-A80 HydrophobicContact CG-CB 4.43Å |
| 70 | A | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.4 | -32 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | A66 L67 I68 H73 I74 I77 L81 F129 V133 | A66-A70 PolarHBondContact O-N 3.37Å; L67-A70 WeakPolarHBondContact O-CB 3.44Å; L67-A70 PolarHBondContact O-N 3.47Å; I68-A70 VanDerWaalsContact C-N 3.33Å; I68-A70 PolarHBondContact O-N 2.69Å; A70-H73 CarbonylContact O-C 3.55Å; A70-H73 VanDerWaalsContact O-C 3.22Å; A70-I74 WeakPolarHBondContact O-CA 3.45Å; A70-I74 PolarHBondContact O-N 2.79Å; A70-I77 HydrophobicContact CB-CG2 4.15Å; A70-L81 HydrophobicContact CB-CD1 4.01Å; A70-L81 HydrophobicContact CB-CD2 4.27Å; A70-L81 HydrophobicContact CB-CG 4.31Å; A70-F129 HydrophobicContact CB-CE2 4.11Å; A70-F129 HydrophobicContact CB-CZ 3.86Å; A70-V133 HydrophobicContact CB-CG2 4.01Å |
| 71 | V | 98.4 | Very high | 98.3 | Very high | 6 Ų | 6 | 51.3 Ų | 51.3 | 4% | 0.036 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -74.4 | -38 | 174 | 173.9 | 0 | 0 | 0 | 0 | 112.3 | V11 K12 F15 L67 I68 E69 H73 I74 F129 | V11-V71 HydrophobicContact CG1-CG1 4.25Å; V11-V71 HydrophobicContact CG1-CG2 3.52Å; K12-V71 HydrophobicContact CB-CG1 4.44Å; K12-V71 HydrophobicContact CG-CG1 3.69Å; F15-V71 HydrophobicContact CB-CB 4.43Å; F15-V71 HydrophobicContact CB-CG1 4.1Å; F15-V71 HydrophobicContact CB-CG2 4.17Å; F15-V71 HydrophobicContact CD1-CB 4.47Å; F15-V71 HydrophobicContact CD1-CG2 3.82Å; F15-V71 HydrophobicContact CD2-CG2 3.61Å; F15-V71 HydrophobicContact CE1-CG2 4.08Å; F15-V71 HydrophobicContact CE2-CG2 3.85Å; F15-V71 HydrophobicContact CG-CB 4.28Å; F15-V71 HydrophobicContact CG-CG1 4.4Å; F15-V71 HydrophobicContact CG-CG2 3.57Å; F15-V71 HydrophobicContact CZ-CG2 4.09Å; L67-V71 WeakPolarHBondContact O-CG2 3.48Å; L67-V71 PolarHBondContact O-N 2.92Å; I68-V71 WeakPolarHBondContact O-CB 3.48Å; I68-V71 PolarHBondContact O-N 2.94Å; I68-V71 VanDerWaalsContact O-N 3.07Å; E69-V71 PolarHBondContact O-N 3.3Å; V71-H73 PolarHBondContact O-N 3Å; V71-I74 WeakPolarHBondContact O-CB 3.37Å; V71-I74 PolarHBondContact O-N 3.26Å; V71-F129 HydrophobicContact CG2-CE1 3.91Å; V71-F129 HydrophobicContact CG2-CE2 3.8Å; V71-F129 HydrophobicContact CG2-CZ 3.37Å |
| 72 | N | 98.2 | Very high | 98.3 | Very high | 106 Ų | 106 | 49.2 Ų | 49.2 | 57% | 0.567 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -62.7 | -34.2 | 174.7 | -68 | -22.2 | 0 | 0 | 0 | 111.2 | I68 E69 | I68-N72 PolarHBondContact O-N 3.44Å; E69-N72 PolarHBondContact O-N 2.99Å |
| 73 | H | 98.4 | Very high | 98.3 | Very high | 87 Ų | 87 | 50.8 Ų | 50.8 | 40% | 0.403 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 39 | 177 | -64.6 | -86.2 | 0 | 0 | 0 | 112.2 | E69 A70 V71 D75 D76 I77 A80 | E69-H73 PolarHBondContact O-CD2 3.18Å; E69-H73 PolarHBondContact O-N 3.23Å; E69-H73 IonicContact OE1-CD2 3.37Å; E69-H73 PolarHBondContact OE1-CD2 2.75Å; E69-H73 IonicContact OE1-NE2 3.35Å; E69-H73 PolarHBondContact OE1-NE2 3.01Å; A70-H73 CarbonylContact O-C 3.55Å; A70-H73 VanDerWaalsContact O-C 3.22Å; V71-H73 PolarHBondContact O-N 3Å; H73-D75 PolarHBondContact O-N 3.39Å; H73-D76 CarbonylContact O-C 3.37Å; H73-D76 WeakPolarHBondContact O-CA 3.43Å; H73-D76 PolarHBondContact O-N 3.05Å; H73-I77 PolarHBondContact O-N 2.85Å; H73-I77 VanDerWaalsContact O-N 3.08Å; H73-A80 HydrophobicContact CB-CB 3.54Å |
| 74 | I | 98.1 | Very high | 98.3 | Very high | 9 Ų | 9 | 52 Ų | 52 | 5% | 0.046 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -19.3 | -172.3 | -157.8 | 160.6 | 0 | 0 | 0 | 114.6 | L3 K8 V11 A70 V71 F129 | L3-I74 HydrophobicContact CD1-CD1 3.96Å; L3-I74 HydrophobicContact CD1-CG1 3.74Å; K8-I74 HydrophobicContact CB-CD1 4.07Å; K8-I74 HydrophobicContact CB-CG2 4.44Å; K8-I74 HydrophobicContact CD-CG2 4.15Å; K8-I74 HydrophobicContact CG-CD1 3.91Å; K8-I74 HydrophobicContact CG-CG1 4.12Å; K8-I74 HydrophobicContact CG-CG2 4.11Å; V11-I74 HydrophobicContact CB-CD1 4.08Å; V11-I74 HydrophobicContact CG1-CD1 3.87Å; A70-I74 WeakPolarHBondContact O-CA 3.45Å; A70-I74 PolarHBondContact O-N 2.79Å; V71-I74 WeakPolarHBondContact O-CB 3.37Å; V71-I74 PolarHBondContact O-N 3.26Å; I74-F129 HydrophobicContact CD1-CD2 4.26Å; I74-F129 HydrophobicContact CG1-CD2 4.41Å |
| 75 | D | 97.7 | Very high | 98.2 | Very high | 122 Ų | 122 | 52 Ų | 52 | 65% | 0.652 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.7 | -15.3 | 175 | -64.5 | -63.4 | 0 | 0 | 0 | 113.2 | K8 H73 | K8-D75 WeakPolarHBondContact CE-OD1 3.22Å; K8-D75 IonicContact NZ-OD1 2.62Å; K8-D75 PolarHBondContact NZ-OD1 3.18Å; H73-D75 PolarHBondContact O-N 3.39Å |
| 76 | D | 98 | Very high | 98.2 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 43% | 0.433 | 28% | 0.282 | S | S | . | . | trans | -141.7 | 60.9 | 175.6 | -177.6 | 24.5 | 0 | 0 | 0 | 111.7 | H73 S78 G79 A80 | H73-D76 CarbonylContact O-C 3.37Å; H73-D76 WeakPolarHBondContact O-CA 3.43Å; H73-D76 PolarHBondContact O-N 3.05Å; D76-S78 PolarHBondContact O-N 3.42Å; D76-S78 PolarHBondContact OD1-OG 3.13Å; D76-G79 PolarHBondContact O-N 3.24Å; D76-G79 WeakPolarHBondContact OD1-CA 3.34Å; D76-G79 PolarHBondContact OD1-N 3.01Å; D76-G79 WeakPolarHBondContact OD2-CA 3.47Å; D76-A80 PolarHBondContact O-N 2.9Å | ||
| 77 | I | 98.4 | Very high | 98.2 | Very high | 15 Ų | 15 | 52.6 Ų | 52.6 | 8% | 0.077 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.3 | -35 | 178 | -59.1 | 175.3 | 0 | 0 | 0 | 110.4 | L3 A70 H73 L81 F129 A132 V133 V136 | L3-I77 HydrophobicContact CD1-CD1 4.49Å; A70-I77 HydrophobicContact CB-CG2 4.15Å; H73-I77 PolarHBondContact O-N 2.85Å; H73-I77 VanDerWaalsContact O-N 3.08Å; I77-L81 HydrophobicContact CG2-CD1 3.77Å; I77-L81 HydrophobicContact CG2-CG 4.15Å; I77-L81 WeakPolarHBondContact O-CB 3.46Å; I77-L81 WeakPolarHBondContact O-CG 3.04Å; I77-L81 PolarHBondContact O-N 3.16Å; I77-F129 HydrophobicContact CD1-CD2 4.18Å; I77-F129 HydrophobicContact CD1-CE2 4.04Å; I77-A132 HydrophobicContact CD1-CB 4.4Å; I77-V133 HydrophobicContact CG2-CG2 4.14Å; I77-V136 HydrophobicContact CB-CG2 4.37Å; I77-V136 HydrophobicContact CG2-CB 4.3Å; I77-V136 HydrophobicContact CG2-CG1 4.38Å; I77-V136 HydrophobicContact CG2-CG2 4Å |
| 78 | S | 97.6 | Very high | 98.1 | Very high | 71 Ų | 71 | 53.5 Ų | 53.5 | 50% | 0.497 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 178.4 | 39.3 | 0 | 0 | 0 | 0 | 113.3 | D76 S82 | D76-S78 PolarHBondContact O-N 3.42Å; D76-S78 PolarHBondContact OD1-OG 3.13Å; S78-S82 WeakPolarHBondContact O-CA 3.22Å; S78-S82 WeakPolarHBondContact O-CB 3.48Å; S78-S82 PolarHBondContact O-N 2.98Å; S78-S82 VanDerWaalsContact O-N 3.09Å |
| 79 | G | 98.2 | Very high | 98 | Very high | 40 Ų | 40 | 52.9 Ų | 52.9 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -64.8 | -49 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | D76 L81 S82 | D76-G79 PolarHBondContact O-N 3.24Å; D76-G79 WeakPolarHBondContact OD1-CA 3.34Å; D76-G79 PolarHBondContact OD1-N 3.01Å; D76-G79 WeakPolarHBondContact OD2-CA 3.47Å; G79-L81 PolarHBondContact O-N 3.43Å; G79-S82 WeakPolarHBondContact O-CB 3.43Å; G79-S82 PolarHBondContact O-N 3.48Å |
| 80 | A | 98.3 | Very high | 97.9 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 28% | 0.281 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | E69 H73 D76 | E69-A80 HydrophobicContact CG-CB 4.43Å; H73-A80 HydrophobicContact CB-CB 3.54Å; D76-A80 PolarHBondContact O-N 2.9Å |
| 81 | L | 98.3 | Very high | 97.8 | Very high | 5 Ų | 5 | 62.6 Ų | 62.6 | 3% | 0.026 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 9.5 | -176.6 | -54.4 | -172 | 0 | 0 | 0 | 114.1 | A70 I77 G79 K83 L84 S85 V133 V136 L137 | A70-L81 HydrophobicContact CB-CD1 4.01Å; A70-L81 HydrophobicContact CB-CD2 4.27Å; A70-L81 HydrophobicContact CB-CG 4.31Å; I77-L81 HydrophobicContact CG2-CD1 3.77Å; I77-L81 HydrophobicContact CG2-CG 4.15Å; I77-L81 WeakPolarHBondContact O-CB 3.46Å; I77-L81 WeakPolarHBondContact O-CG 3.04Å; I77-L81 PolarHBondContact O-N 3.16Å; G79-L81 PolarHBondContact O-N 3.43Å; L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 3.48Å; L81-L84 HydrophobicContact CD2-CD1 4.17Å; L81-L84 WeakPolarHBondContact O-CA 3.3Å; L81-L84 PolarHBondContact O-N 2.87Å; L81-S85 PolarHBondContact O-N 3.19Å; L81-V133 HydrophobicContact CD1-CG1 3.87Å; L81-V136 HydrophobicContact CB-CG1 3.98Å; L81-L137 HydrophobicContact CB-CD2 4.27Å; L81-L137 HydrophobicContact CD1-CD2 4.27Å; L81-L137 HydrophobicContact CD1-CG 4.46Å |
| 82 | S | 98 | Very high | 97.7 | Very high | 47 Ų | 47 | 66.5 Ų | 66.5 | 33% | 0.329 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -54.7 | -44.2 | -172.3 | -175.5 | 0 | 0 | 0 | 0 | 113.2 | S78 G79 L84 S85 D86 K140 | S78-S82 WeakPolarHBondContact O-CA 3.22Å; S78-S82 WeakPolarHBondContact O-CB 3.48Å; S78-S82 PolarHBondContact O-N 2.98Å; S78-S82 VanDerWaalsContact O-N 3.09Å; G79-S82 WeakPolarHBondContact O-CB 3.43Å; G79-S82 PolarHBondContact O-N 3.48Å; S82-L84 PolarHBondContact O-N 3.25Å; S82-S85 WeakPolarHBondContact O-CB 3.41Å; S82-S85 PolarHBondContact O-N 2.94Å; S82-D86 PolarHBondContact O-N 2.96Å; S82-K140 PolarHBondContact O-NZ 3.11Å; S82-K140 VanDerWaalsContact O-NZ 3.11Å; S82-K140 PolarHBondContact OG-NZ 3.11Å |
| 83 | K | 98.1 | Very high | 97.5 | Very high | 184 Ų | 184 | 70.2 Ų | 70.2 | 80% | 0.8 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -65.8 | -35.7 | 177.1 | -67.2 | -179.2 | -178.8 | 174.2 | 0 | 112.8 | L81 L87 | L81-K83 VanDerWaalsContact C-N 3.32Å; L81-K83 PolarHBondContact O-N 3.48Å; K83-L87 WeakPolarHBondContact O-CB 3.45Å; K83-L87 PolarHBondContact O-N 3.26Å |
| 84 | L | 98.2 | Very high | 97.5 | Very high | 55 Ų | 55 | 67 Ų | 67 | 29% | 0.288 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.3 | -35.8 | 176.5 | -75.6 | 176.8 | 0 | 0 | 0 | 111.3 | A66 L81 S82 L87 H88 L137 | A66-L84 HydrophobicContact CB-CD1 3.63Å; L81-L84 HydrophobicContact CD2-CD1 4.17Å; L81-L84 WeakPolarHBondContact O-CA 3.3Å; L81-L84 PolarHBondContact O-N 2.87Å; S82-L84 PolarHBondContact O-N 3.25Å; L84-L87 HydrophobicContact CD2-CD2 4.21Å; L84-L87 PolarHBondContact O-N 2.94Å; L84-H88 PolarHBondContact O-N 3.45Å; L84-H88 PolarHBondContact O-ND1 3.14Å; L84-L137 HydrophobicContact CB-CD2 3.71Å |
| 85 | S | 97.8 | Very high | 97.4 | Very high | 3 Ų | 3 | 70.6 Ų | 70.6 | 2% | 0.021 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -59.7 | -47.5 | 172.1 | -171.2 | 0 | 0 | 0 | 0 | 110.7 | L81 S82 L87 H88 A89 V136 | L81-S85 PolarHBondContact O-N 3.19Å; S82-S85 WeakPolarHBondContact O-CB 3.41Å; S82-S85 PolarHBondContact O-N 2.94Å; S85-L87 PolarHBondContact O-N 2.83Å; S85-H88 PolarHBondContact O-N 3.12Å; S85-A89 VanDerWaalsContact O-CB 3.26Å; S85-A89 WeakPolarHBondContact O-CB 3.48Å; S85-A89 PolarHBondContact O-N 3.4Å; S85-V136 WeakPolarHBondContact CB-O 3.25Å; S85-V136 PolarHBondContact OG-O 2.94Å |
| 86 | D | 97.7 | Very high | 97.4 | Very high | 49 Ų | 49 | 67.4 Ų | 67.4 | 26% | 0.262 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 175.1 | -67.4 | -39 | 0 | 0 | 0 | 111.9 | S82 H88 A89 Q90 K140 | S82-D86 PolarHBondContact O-N 2.96Å; D86-H88 PolarHBondContact O-N 3.13Å; D86-A89 PolarHBondContact O-N 3.32Å; D86-Q90 VanDerWaalsContact O-CB 3.28Å; D86-Q90 WeakPolarHBondContact O-CB 3.36Å; D86-Q90 WeakPolarHBondContact O-CG 3.46Å; D86-Q90 PolarHBondContact O-N 3.17Å; D86-K140 WeakPolarHBondContact OD1-CD 3.28Å; D86-K140 WeakPolarHBondContact OD1-CE 3.13Å; D86-K140 IonicContact OD1-NZ 2.71Å; D86-K140 PolarHBondContact OD1-NZ 3.48Å; D86-K140 IonicContact OD2-NZ 3Å; D86-K140 PolarHBondContact OD2-NZ 2.79Å |
| 87 | L | 98.2 | Very high | 97.3 | Very high | 67 Ų | 67 | 67 Ų | 67 | 35% | 0.351 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -58.4 | -49.8 | -179.9 | 177 | 63.4 | 0 | 0 | 0 | 111.7 | K83 L84 S85 K91 L92 | K83-L87 WeakPolarHBondContact O-CB 3.45Å; K83-L87 PolarHBondContact O-N 3.26Å; L84-L87 HydrophobicContact CD2-CD2 4.21Å; L84-L87 PolarHBondContact O-N 2.94Å; S85-L87 PolarHBondContact O-N 2.83Å; L87-K91 HydrophobicContact CD1-CB 4.18Å; L87-K91 HydrophobicContact CD1-CD 4.02Å; L87-K91 WeakPolarHBondContact O-CB 3.28Å; L87-K91 PolarHBondContact O-N 3.29Å; L87-L92 HydrophobicContact CD1-CD1 4.46Å; L87-L92 HydrophobicContact CD1-CD2 4.5Å; L87-L92 HydrophobicContact CD1-CG 4.2Å; L87-L92 HydrophobicContact CD2-CD1 4.26Å; L87-L92 HydrophobicContact CG-CD1 3.91Å; L87-L92 HydrophobicContact CG-CG 4.08Å; L87-L92 PolarHBondContact O-N 3.07Å |
| 88 | H | 98 | Very high | 97.3 | Very high | 39 Ų | 39 | 67 Ų | 67 | 18% | 0.181 | 35% | 0.353 | C | S | . | . | I | π-helix | trans | -68.3 | -43 | -178.1 | -73.9 | 83.8 | 0 | 0 | 0 | 111.5 | L84 S85 D86 R93 F99 Y141 | L84-H88 PolarHBondContact O-N 3.45Å; L84-H88 PolarHBondContact O-ND1 3.14Å; S85-H88 PolarHBondContact O-N 3.12Å; D86-H88 PolarHBondContact O-N 3.13Å; H88-R93 VanDerWaalsContact O-CA 3.3Å; H88-R93 WeakPolarHBondContact O-CA 3.12Å; H88-R93 PolarHBondContact O-N 3.25Å; H88-F99 HydrophobicContact CB-CZ 4.09Å; H88-F99 AromaticContact CD2-CE1 3.88Å; H88-F99 AromaticContact CD2-CZ 3.61Å; H88-F99 AromaticContact CG-CZ 3.98Å; H88-Y141 VanDerWaalsContact C-OH 3.31Å; H88-Y141 HydrophobicContact CB-CE2 4.43Å; H88-Y141 PolarHBondContact O-OH 2.96Å |
| 89 | A | 96 | Very high | 97.3 | Very high | 10 Ų | 10 | 64.8 Ų | 64.8 | 8% | 0.083 | 33% | 0.334 | C | S | . | . | I | π-helix | trans | -71.3 | -46.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | S85 D86 K140 Y141 | S85-A89 VanDerWaalsContact O-CB 3.26Å; S85-A89 WeakPolarHBondContact O-CB 3.48Å; S85-A89 PolarHBondContact O-N 3.4Å; D86-A89 PolarHBondContact O-N 3.32Å; A89-K140 HydrophobicContact CB-CB 3.99Å; A89-K140 WeakPolarHBondContact CB-O 3.49Å; A89-Y141 HydrophobicContact CB-CD2 3.42Å; A89-Y141 VanDerWaalsContact CB-CD2 3.42Å; A89-Y141 HydrophobicContact CB-CE2 3.57Å; A89-Y141 HydrophobicContact CB-CG 4.12Å |
| 90 | Q | 95.4 | Very high | 97.2 | Very high | 121 Ų | 121 | 69.4 Ų | 69.4 | 57% | 0.565 | 34% | 0.343 | S | S | * | . | I | π-helix | trans | -93.5 | -33.5 | -166.4 | -59.4 | 179.1 | -7.8 | 0 | 0 | 112.8 | D86 | D86-Q90 VanDerWaalsContact O-CB 3.28Å; D86-Q90 WeakPolarHBondContact O-CB 3.36Å; D86-Q90 WeakPolarHBondContact O-CG 3.46Å; D86-Q90 PolarHBondContact O-N 3.17Å |
| 91 | K | 96.3 | Very high | 97.2 | Very high | 163 Ų | 163 | 68.8 Ų | 68.8 | 71% | 0.709 | 34% | 0.335 | S | S | * | . | I | π-helix | trans | -107 | -56.6 | -174.9 | -60 | -171.2 | 178.6 | -176.5 | 0 | 112.7 | L87 | L87-K91 HydrophobicContact CD1-CB 4.18Å; L87-K91 HydrophobicContact CD1-CD 4.02Å; L87-K91 WeakPolarHBondContact O-CB 3.28Å; L87-K91 PolarHBondContact O-N 3.29Å |
| 92 | L | 96.4 | Very high | 97.2 | Very high | 88 Ų | 88 | 70.4 Ų | 70.4 | 46% | 0.461 | 34% | 0.344 | S | S | . | . | I | π-helix | trans | -77.9 | -30.9 | -173 | -54.3 | -179.5 | 0 | 0 | 0 | 112.5 | L87 V94 | L87-L92 HydrophobicContact CD1-CD1 4.46Å; L87-L92 HydrophobicContact CD1-CD2 4.5Å; L87-L92 HydrophobicContact CD1-CG 4.2Å; L87-L92 HydrophobicContact CD2-CD1 4.26Å; L87-L92 HydrophobicContact CG-CD1 3.91Å; L87-L92 HydrophobicContact CG-CG 4.08Å; L87-L92 PolarHBondContact O-N 3.07Å; L92-V94 VanDerWaalsContact C-N 3.27Å; L92-V94 HydrophobicContact CB-CG2 3.99Å; L92-V94 PolarHBondContact O-N 3.35Å |
| 93 | R | 95.4 | Very high | 97.2 | Very high | 184 Ų | 184 | 68.7 Ų | 68.7 | 69% | 0.694 | 33% | 0.333 | S | S | * | . | trans | 50.5 | 45.6 | 178.4 | -60.5 | -179.4 | 177.2 | -159.2 | -1.8 | 112.7 | H88 D95 | H88-R93 VanDerWaalsContact O-CA 3.3Å; H88-R93 WeakPolarHBondContact O-CA 3.12Å; H88-R93 PolarHBondContact O-N 3.25Å; R93-D95 PolarHBondContact O-N 3.44Å | ||
| 94 | V | 96.9 | Very high | 97.2 | Very high | 21 Ų | 21 | 64.5 Ų | 64.5 | 13% | 0.127 | 32% | 0.316 | C | S | . | . | trans | -69.1 | 123.6 | 178.8 | 178.8 | 0 | 0 | 0 | 0 | 109.3 | Y43 L92 P96 N98 F99 Y141 | Y43-V94 HydrophobicContact CD1-CG2 3.95Å; Y43-V94 HydrophobicContact CE1-CB 4.19Å; Y43-V94 HydrophobicContact CE1-CG1 4.29Å; Y43-V94 HydrophobicContact CE1-CG2 4.11Å; Y43-V94 HydrophobicContact CE2-CG1 4.34Å; Y43-V94 HydrophobicContact CG-CG2 4.46Å; L92-V94 VanDerWaalsContact C-N 3.27Å; L92-V94 HydrophobicContact CB-CG2 3.99Å; L92-V94 PolarHBondContact O-N 3.35Å; V94-P96 WeakPolarHBondContact O-CD 3.41Å; V94-P96 VanDerWaalsContact O-N 3.16Å; V94-N98 HydrophobicContact CG1-CB 3.97Å; V94-F99 HydrophobicContact CB-CE2 4.05Å; V94-F99 HydrophobicContact CB-CZ 4.22Å; V94-F99 HydrophobicContact CG1-CD2 4.49Å; V94-F99 HydrophobicContact CG1-CE2 3.9Å; V94-F99 HydrophobicContact CG1-CZ 4.28Å; V94-Y141 PolarHBondContact N-OH 2.68Å; V94-Y141 WeakPolarHBondContact O-CE1 3.18Å; V94-Y141 PolarHBondContact O-OH 3.06Å | ||
| 95 | D | 97.3 | Very high | 97.3 | Very high | 84 Ų | 84 | 62.2 Ų | 62.2 | 45% | 0.449 | 31% | 0.305 | S | S | . | . | trans | -55.2 | 126.7 | 177.2 | -174.4 | -50.7 | 0 | 0 | 0 | 109.9 | Y43 R93 V97 N98 | Y43-D95 WeakPolarHBondContact OH-CB 3.49Å; Y43-D95 PolarHBondContact OH-N 2.98Å; R93-D95 PolarHBondContact O-N 3.44Å; D95-V97 HydrophobicContact CB-CG1 4.3Å; D95-V97 PolarHBondContact O-N 3.23Å; D95-V97 WeakPolarHBondContact OD1-CB 3.38Å; D95-V97 VanDerWaalsContact OD1-CG1 3.28Å; D95-V97 WeakPolarHBondContact OD1-CG1 3.42Å; D95-V97 PolarHBondContact OD1-N 2.92Å; D95-N98 PolarHBondContact O-N 3.42Å; D95-N98 PolarHBondContact O-ND2 3.03Å; D95-N98 VanDerWaalsContact O-ND2 3.13Å | ||
| 96 | P | 96.7 | Very high | 97.3 | Very high | 54 Ų | 54 | 62.4 Ų | 62.4 | 35% | 0.351 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -47 | -28.2 | -179 | -33.6 | 38.1 | 0 | 0 | 0 | 115.5 | V94 N98 F99 T138 Y141 | V94-P96 WeakPolarHBondContact O-CD 3.41Å; V94-P96 VanDerWaalsContact O-N 3.16Å; P96-N98 PolarHBondContact O-N 3.05Å; P96-F99 PolarHBondContact O-N 3.28Å; P96-T138 HydrophobicContact CB-CG2 3.77Å; P96-T138 HydrophobicContact CG-CG2 4.01Å; P96-Y141 HydrophobicContact CG-CD1 4.18Å; P96-Y141 HydrophobicContact CG-CE1 4.34Å |
| 97 | V | 96.6 | Very high | 97.3 | Very high | 74 Ų | 74 | 60.7 Ų | 60.7 | 45% | 0.448 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -60.6 | -32.9 | 177.9 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | D95 F99 K100 | D95-V97 HydrophobicContact CB-CG1 4.3Å; D95-V97 PolarHBondContact O-N 3.23Å; D95-V97 WeakPolarHBondContact OD1-CB 3.38Å; D95-V97 VanDerWaalsContact OD1-CG1 3.28Å; D95-V97 WeakPolarHBondContact OD1-CG1 3.42Å; D95-V97 PolarHBondContact OD1-N 2.92Å; V97-F99 VanDerWaalsContact C-N 3.29Å; V97-F99 PolarHBondContact O-N 3.24Å; V97-K100 WeakPolarHBondContact O-CB 3.49Å; V97-K100 PolarHBondContact O-N 3.31Å |
| 98 | N | 98.1 | Very high | 97.4 | Very high | 14 Ų | 14 | 60.7 Ų | 60.7 | 8% | 0.075 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -70.8 | -24.5 | -173.4 | -62.6 | -62.5 | 0 | 0 | 0 | 113 | Y43 V94 D95 P96 K100 L101 L102 | Y43-N98 WeakPolarHBondContact CE2-ND2 3.28Å; Y43-N98 PolarHBondContact OH-ND2 3.27Å; V94-N98 HydrophobicContact CG1-CB 3.97Å; D95-N98 PolarHBondContact O-N 3.42Å; D95-N98 PolarHBondContact O-ND2 3.03Å; D95-N98 VanDerWaalsContact O-ND2 3.13Å; P96-N98 PolarHBondContact O-N 3.05Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.28Å; N98-L101 PolarHBondContact O-N 3.09Å; N98-L102 PolarHBondContact O-N 3.35Å; N98-L102 VanDerWaalsContact O-N 3.07Å |
| 99 | F | 98 | Very high | 97.4 | Very high | 24 Ų | 24 | 58.9 Ų | 58.9 | 11% | 0.105 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -64.8 | -32.4 | 174.6 | -66.6 | -89.4 | 0 | 0 | 0 | 112.1 | H88 V94 P96 V97 G103 S134 L137 T138 | H88-F99 HydrophobicContact CB-CZ 4.09Å; H88-F99 AromaticContact CD2-CE1 3.88Å; H88-F99 AromaticContact CD2-CZ 3.61Å; H88-F99 AromaticContact CG-CZ 3.98Å; V94-F99 HydrophobicContact CB-CE2 4.05Å; V94-F99 HydrophobicContact CB-CZ 4.22Å; V94-F99 HydrophobicContact CG1-CD2 4.49Å; V94-F99 HydrophobicContact CG1-CE2 3.9Å; V94-F99 HydrophobicContact CG1-CZ 4.28Å; P96-F99 PolarHBondContact O-N 3.28Å; V97-F99 VanDerWaalsContact C-N 3.29Å; V97-F99 PolarHBondContact O-N 3.24Å; F99-G103 PolarHBondContact O-N 3.39Å; F99-S134 WeakPolarHBondContact CB-OG 3.29Å; F99-L137 HydrophobicContact CD1-CB 4.25Å; F99-L137 HydrophobicContact CD1-CD1 3.9Å; F99-L137 HydrophobicContact CE1-CB 3.78Å; F99-L137 HydrophobicContact CE1-CD1 3.66Å; F99-L137 HydrophobicContact CE1-CG 4.36Å; F99-L137 HydrophobicContact CZ-CB 4.22Å; F99-T138 HydrophobicContact CD2-CG2 3.66Å; F99-T138 HydrophobicContact CE2-CG2 3.64Å; F99-T138 HydrophobicContact CG-CG2 4.39Å; F99-T138 HydrophobicContact CZ-CG2 4.36Å |
| 100 | K | 95.7 | Very high | 97.5 | Very high | 137 Ų | 137 | 58.4 Ų | 58.4 | 60% | 0.596 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -68.4 | -40.9 | 175.3 | -61.2 | -178.2 | 179.6 | -179.3 | 0 | 111.3 | V97 N98 G103 Q104 | V97-K100 WeakPolarHBondContact O-CB 3.49Å; V97-K100 PolarHBondContact O-N 3.31Å; N98-K100 VanDerWaalsContact C-N 3.26Å; N98-K100 PolarHBondContact O-N 3.28Å; K100-G103 PolarHBondContact O-N 3.06Å; K100-Q104 WeakPolarHBondContact O-CG 3.47Å; K100-Q104 PolarHBondContact O-N 3.49Å |
| 101 | L | 98.4 | Very high | 97.6 | Very high | 22 Ų | 22 | 54.5 Ų | 54.5 | 12% | 0.115 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 178 | -55.8 | -178 | 0 | 0 | 0 | 111.1 | Y37 T40 N98 Q104 C105 | Y37-L101 HydrophobicContact CD1-CD1 4.22Å; Y37-L101 HydrophobicContact CD1-CD2 4.13Å; Y37-L101 HydrophobicContact CD2-CB 3.74Å; Y37-L101 HydrophobicContact CD2-CD1 4.25Å; Y37-L101 HydrophobicContact CD2-CD2 4.3Å; Y37-L101 HydrophobicContact CD2-CG 4.31Å; Y37-L101 HydrophobicContact CE1-CD2 3.93Å; Y37-L101 HydrophobicContact CE2-CB 3.89Å; Y37-L101 HydrophobicContact CE2-CD2 4.09Å; Y37-L101 HydrophobicContact CE2-CG 4.47Å; Y37-L101 HydrophobicContact CG-CB 4.26Å; Y37-L101 HydrophobicContact CG-CD1 3.9Å; Y37-L101 HydrophobicContact CG-CD2 4.31Å; Y37-L101 HydrophobicContact CG-CG 4.38Å; T40-L101 HydrophobicContact CG2-CD1 4.1Å; N98-L101 PolarHBondContact O-N 3.09Å; L101-Q104 PolarHBondContact O-N 3.11Å; L101-C105 PolarHBondContact O-N 2.93Å; L101-C105 PolarHBondContact O-SG 3.36Å |
| 102 | L | 98.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 50.7 Ų | 50.7 | 20% | 0.204 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175 | -174 | 70.3 | 0 | 0 | 0 | 111.8 | T29 L30 M33 V63 N98 Q104 C105 F106 | T29-L102 HydrophobicContact CG2-CD1 3.7Å; T29-L102 HydrophobicContact CG2-CG 4.36Å; L30-L102 HydrophobicContact CD2-CD1 3.87Å; M33-L102 HydrophobicContact CE-CD1 4.32Å; M33-L102 HydrophobicContact SD-CB 3.93Å; M33-L102 HydrophobicContact SD-CD1 3.7Å; M33-L102 HydrophobicContact SD-CG 4.4Å; V63-L102 HydrophobicContact CG1-CD2 4.19Å; N98-L102 PolarHBondContact O-N 3.35Å; N98-L102 VanDerWaalsContact O-N 3.07Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 PolarHBondContact O-N 3.39Å; L102-C105 PolarHBondContact O-N 2.72Å; L102-F106 PolarHBondContact O-N 2.96Å |
| 103 | G | 98.2 | Very high | 97.8 | Very high | 11 Ų | 11 | 49.2 Ų | 49.2 | 11% | 0.113 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | F99 K100 F106 L107 | F99-G103 PolarHBondContact O-N 3.39Å; K100-G103 PolarHBondContact O-N 3.06Å; G103-F106 WeakPolarHBondContact O-CB 3.44Å; G103-F106 PolarHBondContact O-N 3.49Å; G103-L107 WeakPolarHBondContact O-CG 3.48Å; G103-L107 PolarHBondContact O-N 3.21Å |
| 104 | Q | 98.1 | Very high | 97.8 | Very high | 95 Ų | 95 | 41.8 Ų | 41.8 | 44% | 0.444 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -62.9 | -45.1 | 174.6 | -71.4 | 172.9 | -29.8 | 0 | 0 | 112.1 | Y37 K100 L101 L102 F106 L107 V108 | Y37-Q104 PolarHBondContact OH-OE1 3.21Å; K100-Q104 WeakPolarHBondContact O-CG 3.47Å; K100-Q104 PolarHBondContact O-N 3.49Å; L101-Q104 PolarHBondContact O-N 3.11Å; L102-Q104 VanDerWaalsContact C-N 3.34Å; L102-Q104 PolarHBondContact O-N 3.39Å; Q104-F106 VanDerWaalsContact C-N 3.27Å; Q104-F106 PolarHBondContact O-N 2.84Å; Q104-L107 PolarHBondContact O-N 3.09Å; Q104-V108 WeakPolarHBondContact O-CG2 3.38Å; Q104-V108 PolarHBondContact O-N 2.98Å; Q104-V108 VanDerWaalsContact O-N 3.09Å |
| 105 | C | 98.8 | Very high | 97.8 | Very high | 7 Ų | 7 | 45.1 Ų | 45.1 | 5% | 0.047 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -38 | 175.6 | -69 | 0 | 0 | 0 | 0 | 112 | T29 R32 M33 L101 L102 V108 V109 | T29-C105 HydrophobicContact CG2-CB 4.12Å; R32-C105 HydrophobicContact CB-CB 4.18Å; M33-C105 VanDerWaalsContact CA-SG 3.55Å; M33-C105 HydrophobicContact CB-CB 4.44Å; L101-C105 PolarHBondContact O-N 2.93Å; L101-C105 PolarHBondContact O-SG 3.36Å; L102-C105 PolarHBondContact O-N 2.72Å; C105-V108 WeakPolarHBondContact O-CB 3.45Å; C105-V108 PolarHBondContact O-N 3.36Å; C105-V109 WeakPolarHBondContact O-CG2 3.48Å; C105-V109 PolarHBondContact O-N 3.38Å |
| 106 | F | 98.6 | Very high | 97.7 | Very high | 8 Ų | 8 | 46.8 Ų | 46.8 | 4% | 0.035 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.2 | -45.1 | 175.8 | 179.4 | -92.9 | 0 | 0 | 0 | 111.8 | F15 I18 T29 L67 L102 G103 Q104 V108 V109 V110 L130 | F15-F106 HydrophobicContact CE1-CZ 4.17Å; F15-F106 HydrophobicContact CE2-CE1 4.21Å; F15-F106 HydrophobicContact CE2-CZ 4.04Å; F15-F106 HydrophobicContact CZ-CE1 4.06Å; F15-F106 HydrophobicContact CZ-CE2 4.48Å; F15-F106 AromaticContact CZ-CZ 3.57Å; F15-F106 HydrophobicContact CZ-CZ 3.57Å; I18-F106 HydrophobicContact CD1-CE1 4.25Å; I18-F106 HydrophobicContact CD1-CE2 4.14Å; I18-F106 HydrophobicContact CD1-CZ 3.47Å; I18-F106 VanDerWaalsContact CD1-CZ 3.47Å; T29-F106 HydrophobicContact CG2-CB 3.92Å; L67-F106 HydrophobicContact CD1-CD2 4Å; L67-F106 HydrophobicContact CD1-CE2 3.85Å; L67-F106 HydrophobicContact CD1-CZ 4.29Å; L102-F106 PolarHBondContact O-N 2.96Å; G103-F106 WeakPolarHBondContact O-CB 3.44Å; G103-F106 PolarHBondContact O-N 3.49Å; Q104-F106 VanDerWaalsContact C-N 3.27Å; Q104-F106 PolarHBondContact O-N 2.84Å; F106-V108 VanDerWaalsContact C-N 3.27Å; F106-V108 PolarHBondContact O-N 2.96Å; F106-V109 PolarHBondContact O-N 3.37Å; F106-V109 VanDerWaalsContact O-N 3.11Å; F106-V110 HydrophobicContact CD1-CG2 4.08Å; F106-V110 HydrophobicContact CE1-CG2 3.73Å; F106-V110 HydrophobicContact CZ-CG2 4.07Å; F106-V110 WeakPolarHBondContact O-CG2 3.44Å; F106-V110 PolarHBondContact O-N 2.98Å; F106-L130 HydrophobicContact CD1-CD1 3.86Å; F106-L130 HydrophobicContact CD1-CD2 4.12Å; F106-L130 HydrophobicContact CE1-CD2 4.49Å |
| 107 | L | 98.5 | Very high | 97.6 | Very high | 12 Ų | 12 | 45.3 Ų | 45.3 | 6% | 0.063 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -59.5 | -38.8 | 176.1 | -69.7 | 170.6 | 0 | 0 | 0 | 112 | G103 Q104 V110 A111 L126 D127 L130 | G103-L107 WeakPolarHBondContact O-CG 3.48Å; G103-L107 PolarHBondContact O-N 3.21Å; Q104-L107 PolarHBondContact O-N 3.09Å; L107-V110 PolarHBondContact O-N 3.29Å; L107-A111 WeakPolarHBondContact O-CB 3.45Å; L107-A111 PolarHBondContact O-N 3.45Å; L107-L126 HydrophobicContact CD2-CB 3.5Å; L107-L126 VanDerWaalsContact CD2-CB 3.5Å; L107-L126 HydrophobicContact CD2-CD1 3.98Å; L107-L126 HydrophobicContact CD2-CG 4.41Å; L107-D127 HydrophobicContact CD1-CB 4.22Å; L107-L130 HydrophobicContact CD1-CD1 4.21Å; L107-L130 HydrophobicContact CD2-CD1 3.94Å; L107-L130 HydrophobicContact CG-CD1 3.76Å |
| 108 | V | 98.6 | Very high | 97.6 | Very high | 67 Ų | 67 | 43.3 Ų | 43.3 | 41% | 0.406 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.2 | -44 | 173.9 | 171.6 | 0 | 0 | 0 | 0 | 111.4 | Q104 C105 F106 V110 A111 I112 | Q104-V108 WeakPolarHBondContact O-CG2 3.38Å; Q104-V108 PolarHBondContact O-N 2.98Å; Q104-V108 VanDerWaalsContact O-N 3.09Å; C105-V108 WeakPolarHBondContact O-CB 3.45Å; C105-V108 PolarHBondContact O-N 3.36Å; F106-V108 VanDerWaalsContact C-N 3.27Å; F106-V108 PolarHBondContact O-N 2.96Å; V108-V110 PolarHBondContact O-N 3.34Å; V108-A111 WeakPolarHBondContact O-CB 3.41Å; V108-A111 PolarHBondContact O-N 2.89Å; V108-I112 HydrophobicContact CG1-CD1 3.89Å; V108-I112 WeakPolarHBondContact O-CG1 3.36Å; V108-I112 PolarHBondContact O-N 3.14Å |
| 109 | V | 98.6 | Very high | 97.6 | Very high | 1 Ų | 1 | 45.4 Ų | 45.4 | 1% | 0.006 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 110.8 | Y25 E28 C105 F106 A111 I112 H113 | Y25-V109 HydrophobicContact CD1-CG1 4.25Å; Y25-V109 HydrophobicContact CG-CG1 4.03Å; E28-V109 HydrophobicContact CB-CG2 4.16Å; E28-V109 HydrophobicContact CG-CG2 3.97Å; C105-V109 WeakPolarHBondContact O-CG2 3.48Å; C105-V109 PolarHBondContact O-N 3.38Å; F106-V109 PolarHBondContact O-N 3.37Å; F106-V109 VanDerWaalsContact O-N 3.11Å; V109-A111 VanDerWaalsContact C-N 3.31Å; V109-A111 PolarHBondContact O-N 3.19Å; V109-I112 PolarHBondContact O-N 3.29Å; V109-H113 PolarHBondContact O-CD2 3.38Å; V109-H113 VanDerWaalsContact O-CD2 3.29Å; V109-H113 PolarHBondContact O-N 3.41Å; V109-H113 VanDerWaalsContact O-N 3.09Å |
| 110 | V | 98.1 | Very high | 97.6 | Very high | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 175.1 | 178.2 | 0 | 0 | 0 | 0 | 111.4 | I14 I18 F106 L107 V108 I112 H113 H114 L118 L126 | I14-V110 HydrophobicContact CD1-CG1 4.31Å; I14-V110 HydrophobicContact CG2-CG1 3.96Å; I14-V110 HydrophobicContact CG2-CG2 4.37Å; I18-V110 HydrophobicContact CD1-CG2 3.81Å; F106-V110 HydrophobicContact CD1-CG2 4.08Å; F106-V110 HydrophobicContact CE1-CG2 3.73Å; F106-V110 HydrophobicContact CZ-CG2 4.07Å; F106-V110 WeakPolarHBondContact O-CG2 3.44Å; F106-V110 PolarHBondContact O-N 2.98Å; L107-V110 PolarHBondContact O-N 3.29Å; V108-V110 PolarHBondContact O-N 3.34Å; V110-I112 VanDerWaalsContact C-N 3.29Å; V110-I112 PolarHBondContact O-N 2.75Å; V110-H113 PolarHBondContact O-N 3.07Å; V110-H114 CarbonylContact O-C 3.22Å; V110-H114 WeakPolarHBondContact O-CA 3.29Å; V110-H114 PolarHBondContact O-N 3.45Å; V110-L118 HydrophobicContact CG1-CD1 4.04Å; V110-L126 HydrophobicContact CG1-CD1 4.13Å |
| 111 | A | 98.1 | Very high | 97.7 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 32% | 0.322 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62.3 | -35.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | L107 V108 V109 P115 L118 | L107-A111 WeakPolarHBondContact O-CB 3.45Å; L107-A111 PolarHBondContact O-N 3.45Å; V108-A111 WeakPolarHBondContact O-CB 3.41Å; V108-A111 PolarHBondContact O-N 2.89Å; V109-A111 VanDerWaalsContact C-N 3.31Å; V109-A111 PolarHBondContact O-N 3.19Å; A111-P115 WeakPolarHBondContact O-CA 3.32Å; A111-P115 WeakPolarHBondContact O-CB 3.47Å; A111-L118 HydrophobicContact CB-CD2 3.48Å; A111-L118 VanDerWaalsContact CB-CD2 3.48Å |
| 112 | I | 98.2 | Very high | 97.7 | Very high | 83 Ų | 83 | 47.9 Ų | 47.9 | 43% | 0.426 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -73.9 | -45.1 | -179 | -71.3 | 169.6 | 0 | 0 | 0 | 111.3 | V108 V109 V110 | V108-I112 HydrophobicContact CG1-CD1 3.89Å; V108-I112 WeakPolarHBondContact O-CG1 3.36Å; V108-I112 PolarHBondContact O-N 3.14Å; V109-I112 PolarHBondContact O-N 3.29Å; V110-I112 VanDerWaalsContact C-N 3.29Å; V110-I112 PolarHBondContact O-N 2.75Å |
| 113 | H | 98.1 | Very high | 97.7 | Very high | 57 Ų | 57 | 50.2 Ų | 50.2 | 26% | 0.264 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -89.1 | -24.2 | -173.5 | -71.7 | -75.7 | 0 | 0 | 0 | 113.8 | Y25 E28 V109 V110 P115 | Y25-H113 AromaticContact CD1-CD2 3.76Å; Y25-H113 AromaticContact CD1-NE2 3.83Å; Y25-H113 HydrophobicContact CE1-CB 3.98Å; Y25-H113 AromaticContact CE1-CD2 3.5Å; Y25-H113 AromaticContact CE1-CE1 3.57Å; Y25-H113 AromaticContact CE1-CG 3.36Å; Y25-H113 AromaticContact CE1-ND1 3.43Å; Y25-H113 WeakPolarHBondContact CE1-ND1 3.44Å; Y25-H113 AromaticContact CE1-NE2 3.62Å; Y25-H113 HydrophobicContact CE2-CB 4.17Å; Y25-H113 AromaticContact CZ-CG 3.55Å; Y25-H113 AromaticContact CZ-ND1 3.82Å; Y25-H113 WeakPolarHBondContact OH-CB 3.32Å; E28-H113 IonicContact OE1-NE2 2.79Å; E28-H113 IonicContact OE2-CD2 2.73Å; E28-H113 IonicContact OE2-CE1 3.22Å; E28-H113 IonicContact OE2-NE2 2.85Å; E28-H113 PolarHBondContact OE2-NE2 3.07Å; V109-H113 PolarHBondContact O-CD2 3.38Å; V109-H113 VanDerWaalsContact O-CD2 3.29Å; V109-H113 PolarHBondContact O-N 3.41Å; V109-H113 VanDerWaalsContact O-N 3.09Å; V110-H113 PolarHBondContact O-N 3.07Å; H113-P115 VanDerWaalsContact C-CD 3.44Å |
| 114 | H | 96.7 | Very high | 97.8 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 13% | 0.125 | 30% | 0.303 | C | S | . | . | trans | -133.6 | 51.8 | -178.3 | -53.3 | -43.4 | 0 | 0 | 0 | 112.6 | Y25 V110 S116 A117 L118 | Y25-H114 AromaticContact CE2-NE2 3.51Å; V110-H114 CarbonylContact O-C 3.22Å; V110-H114 WeakPolarHBondContact O-CA 3.29Å; V110-H114 PolarHBondContact O-N 3.45Å; H114-S116 VanDerWaalsContact C-N 3.28Å; H114-S116 PolarHBondContact O-N 3.48Å; H114-A117 HydrophobicContact CB-CB 4.05Å; H114-A117 PolarHBondContact O-N 3.17Å; H114-L118 PolarHBondContact O-N 3.36Å | ||
| 115 | P | 95.6 | Very high | 97.8 | Very high | 91 Ų | 91 | 47.5 Ų | 47.5 | 59% | 0.591 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.7 | -37.2 | -172.1 | 22.6 | -33.9 | 0 | 0 | 0 | 113.2 | A111 H113 A117 | A111-P115 WeakPolarHBondContact O-CA 3.32Å; A111-P115 WeakPolarHBondContact O-CB 3.47Å; H113-P115 VanDerWaalsContact C-CD 3.44Å; P115-A117 VanDerWaalsContact C-N 3.31Å; P115-A117 PolarHBondContact O-N 3.13Å |
| 116 | S | 96.1 | Very high | 97.8 | Very high | 119 Ų | 119 | 47.1 Ų | 47.1 | 83% | 0.832 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -19.7 | 178.6 | 56.9 | 0 | 0 | 0 | 0 | 114 | H114 | H114-S116 VanDerWaalsContact C-N 3.28Å; H114-S116 PolarHBondContact O-N 3.48Å |
| 117 | A | 94.8 | Very high | 97.8 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 19% | 0.19 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -20.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | I14 H114 P115 T119 | I14-A117 HydrophobicContact CD1-CB 3.71Å; H114-A117 HydrophobicContact CB-CB 4.05Å; H114-A117 PolarHBondContact O-N 3.17Å; P115-A117 VanDerWaalsContact C-N 3.31Å; P115-A117 PolarHBondContact O-N 3.13Å; A117-T119 VanDerWaalsContact C-N 3.33Å; A117-T119 PolarHBondContact O-N 2.72Å; A117-T119 VanDerWaalsContact O-N 3.13Å |
| 118 | L | 95.7 | Very high | 97.8 | Very high | 33 Ų | 33 | 52.5 Ų | 52.5 | 17% | 0.173 | 31% | 0.307 | C | S | . | . | trans | -88.8 | 66.1 | -177 | -164.7 | 69.7 | 0 | 0 | 0 | 111.7 | V110 A111 H114 V122 H123 L126 | V110-L118 HydrophobicContact CG1-CD1 4.04Å; A111-L118 HydrophobicContact CB-CD2 3.48Å; A111-L118 VanDerWaalsContact CB-CD2 3.48Å; H114-L118 PolarHBondContact O-N 3.36Å; L118-V122 HydrophobicContact CD1-CG1 4.32Å; L118-H123 HydrophobicContact CD1-CB 3.96Å; L118-H123 HydrophobicContact CG-CB 4.13Å; L118-L126 HydrophobicContact CD1-CD1 3.63Å | ||
| 119 | T | 98.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 49.3 Ų | 49.3 | 35% | 0.35 | 29% | 0.288 | S | S | . | . | trans | -66.3 | 164 | 169.3 | 81.4 | 0 | 0 | 0 | 0 | 110.7 | A117 E121 V122 H123 | A117-T119 VanDerWaalsContact C-N 3.33Å; A117-T119 PolarHBondContact O-N 2.72Å; A117-T119 VanDerWaalsContact O-N 3.13Å; T119-E121 WeakPolarHBondContact CB-OE2 3.43Å; T119-E121 PolarHBondContact O-N 3.18Å; T119-E121 PolarHBondContact OG1-N 2.95Å; T119-E121 PolarHBondContact OG1-OE2 3.23Å; T119-V122 PolarHBondContact O-N 3.31Å; T119-V122 VanDerWaalsContact O-N 3.16Å; T119-V122 PolarHBondContact OG1-N 3.32Å; T119-H123 WeakPolarHBondContact O-CB 3.44Å; T119-H123 PolarHBondContact O-N 2.67Å | ||
| 120 | P | 98.4 | Very high | 97.8 | Very high | 100 Ų | 100 | 50.1 Ų | 50.1 | 65% | 0.649 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -53.4 | -38.6 | 176.5 | -28 | 36.9 | 0 | 0 | 0 | 113.8 | A124 | P120-A124 WeakPolarHBondContact O-CB 3.47Å; P120-A124 PolarHBondContact O-N 2.93Å |
| 121 | E | 98.3 | Very high | 97.8 | Very high | 120 Ų | 120 | 52.6 Ų | 52.6 | 56% | 0.561 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -71 | -41 | -179.9 | -56 | 71.2 | -152.4 | 0 | 0 | 111.5 | T119 A124 S125 | T119-E121 WeakPolarHBondContact CB-OE2 3.43Å; T119-E121 PolarHBondContact O-N 3.18Å; T119-E121 PolarHBondContact OG1-N 2.95Å; T119-E121 PolarHBondContact OG1-OE2 3.23Å; E121-A124 PolarHBondContact O-N 2.88Å; E121-S125 WeakPolarHBondContact O-CB 3.48Å; E121-S125 PolarHBondContact O-N 3.41Å; E121-S125 PolarHBondContact O-OG 3.42Å |
| 122 | V | 98.6 | Very high | 97.8 | Very high | 16 Ų | 16 | 51.6 Ų | 51.6 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -66.9 | -42.2 | 176.1 | 176.3 | 0 | 0 | 0 | 0 | 110.2 | N10 I14 L118 T119 S125 L126 | N10-V122 HydrophobicContact CB-CG2 4.26Å; I14-V122 HydrophobicContact CD1-CG1 3.83Å; I14-V122 HydrophobicContact CG1-CG1 3.43Å; I14-V122 VanDerWaalsContact CG1-CG1 3.43Å; L118-V122 HydrophobicContact CD1-CG1 4.32Å; T119-V122 PolarHBondContact O-N 3.31Å; T119-V122 VanDerWaalsContact O-N 3.16Å; T119-V122 PolarHBondContact OG1-N 3.32Å; V122-S125 WeakPolarHBondContact O-CB 3.36Å; V122-S125 PolarHBondContact O-N 3.14Å; V122-L126 HydrophobicContact CG1-CD1 4.3Å; V122-L126 HydrophobicContact CG1-CG 4.49Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.38Å |
| 123 | H | 98.6 | Very high | 97.8 | Very high | 87 Ų | 87 | 48 Ų | 48 | 40% | 0.403 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.2 | -50.4 | 174.3 | -175.3 | -177 | 0 | 0 | 0 | 111.1 | L118 T119 S125 L126 D127 | L118-H123 HydrophobicContact CD1-CB 3.96Å; L118-H123 HydrophobicContact CG-CB 4.13Å; T119-H123 WeakPolarHBondContact O-CB 3.44Å; T119-H123 PolarHBondContact O-N 2.67Å; H123-S125 VanDerWaalsContact C-N 3.27Å; H123-S125 PolarHBondContact O-N 3.08Å; H123-L126 PolarHBondContact O-N 2.9Å; H123-D127 PolarHBondContact O-N 3.22Å |
| 124 | A | 98.4 | Very high | 97.8 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 38% | 0.38 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.6 | -38 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P120 E121 K128 | P120-A124 WeakPolarHBondContact O-CB 3.47Å; P120-A124 PolarHBondContact O-N 2.93Å; E121-A124 PolarHBondContact O-N 2.88Å; A124-K128 VanDerWaalsContact O-CG 3.24Å; A124-K128 WeakPolarHBondContact O-CG 3.42Å; A124-K128 PolarHBondContact O-N 3.36Å |
| 125 | S | 98.8 | Very high | 97.8 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.7 | -43.8 | 177.3 | -55.8 | 0 | 0 | 0 | 0 | 112.1 | D7 N10 E121 V122 H123 F129 | D7-S125 PolarHBondContact OD1-OG 3.36Å; N10-S125 PolarHBondContact ND2-OG 3.35Å; E121-S125 WeakPolarHBondContact O-CB 3.48Å; E121-S125 PolarHBondContact O-N 3.41Å; E121-S125 PolarHBondContact O-OG 3.42Å; V122-S125 WeakPolarHBondContact O-CB 3.36Å; V122-S125 PolarHBondContact O-N 3.14Å; H123-S125 VanDerWaalsContact C-N 3.27Å; H123-S125 PolarHBondContact O-N 3.08Å; S125-F129 WeakPolarHBondContact O-CB 3.37Å; S125-F129 PolarHBondContact O-N 2.73Å; S125-F129 VanDerWaalsContact O-N 3.07Å |
| 126 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.8 | -43.8 | 176.7 | -71.3 | 172.9 | 0 | 0 | 0 | 111.9 | V11 I14 F15 L107 V110 L118 V122 H123 K128 F129 L130 | V11-L126 HydrophobicContact CG2-CD2 4.3Å; I14-L126 HydrophobicContact CB-CD1 4.45Å; I14-L126 HydrophobicContact CB-CD2 4.08Å; I14-L126 HydrophobicContact CG1-CD1 4.13Å; I14-L126 HydrophobicContact CG1-CD2 4.43Å; I14-L126 HydrophobicContact CG2-CD1 4.08Å; I14-L126 HydrophobicContact CG2-CD2 3.97Å; F15-L126 HydrophobicContact CD2-CD2 4.42Å; F15-L126 HydrophobicContact CE2-CD2 4.13Å; L107-L126 HydrophobicContact CD2-CB 3.5Å; L107-L126 VanDerWaalsContact CD2-CB 3.5Å; L107-L126 HydrophobicContact CD2-CD1 3.98Å; L107-L126 HydrophobicContact CD2-CG 4.41Å; V110-L126 HydrophobicContact CG1-CD1 4.13Å; L118-L126 HydrophobicContact CD1-CD1 3.63Å; V122-L126 HydrophobicContact CG1-CD1 4.3Å; V122-L126 HydrophobicContact CG1-CG 4.49Å; V122-L126 WeakPolarHBondContact O-CG 3.42Å; V122-L126 PolarHBondContact O-N 3.38Å; H123-L126 PolarHBondContact O-N 2.9Å; L126-K128 PolarHBondContact O-N 2.97Å; L126-F129 WeakPolarHBondContact O-CB 3.46Å; L126-F129 PolarHBondContact O-N 3.06Å; L126-L130 VanDerWaalsContact O-CG 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.48Å; L126-L130 PolarHBondContact O-N 2.93Å |
| 127 | D | 98.6 | Very high | 98 | Very high | 70 Ų | 70 | 39.7 Ų | 39.7 | 37% | 0.374 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -46.1 | 177.6 | -179.8 | 71.1 | 0 | 0 | 0 | 111.5 | L107 H123 F129 L130 C131 | L107-D127 HydrophobicContact CD1-CB 4.22Å; H123-D127 PolarHBondContact O-N 3.22Å; D127-F129 VanDerWaalsContact C-N 3.31Å; D127-F129 PolarHBondContact O-N 3.41Å; D127-L130 PolarHBondContact O-N 3.1Å; D127-C131 WeakPolarHBondContact O-CB 3.28Å; D127-C131 PolarHBondContact O-N 3.34Å; D127-C131 PolarHBondContact O-SG 3.49Å |
| 128 | K | 98.6 | Very high | 98.1 | Very high | 63 Ų | 63 | 40 Ų | 40 | 27% | 0.274 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -58.8 | -42.4 | 174.3 | -69.6 | 173.2 | -169.1 | 168.8 | 0 | 112.1 | M1 L3 D7 A124 L126 C131 A132 | M1-K128 HydrophobicContact CE-CB 3.99Å; M1-K128 HydrophobicContact CE-CG 3.75Å; M1-K128 HydrophobicContact SD-CD 4.38Å; M1-K128 HydrophobicContact SD-CG 3.85Å; L3-K128 HydrophobicContact CD2-CB 3.68Å; D7-K128 WeakPolarHBondContact OD1-CD 3.38Å; D7-K128 IonicContact OD1-NZ 2.82Å; D7-K128 PolarHBondContact OD1-NZ 2.93Å; D7-K128 IonicContact OD2-NZ 3.24Å; D7-K128 PolarHBondContact OD2-NZ 2.85Å; A124-K128 VanDerWaalsContact O-CG 3.24Å; A124-K128 WeakPolarHBondContact O-CG 3.42Å; A124-K128 PolarHBondContact O-N 3.36Å; L126-K128 PolarHBondContact O-N 2.97Å; K128-C131 PolarHBondContact O-N 3.25Å; K128-A132 PolarHBondContact O-N 2.93Å |
| 129 | F | 98.8 | Very high | 98.2 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.9 | -47.2 | 178.3 | 166.4 | -101.7 | 0 | 0 | 0 | 111.7 | L3 V11 F15 L67 A70 V71 I74 I77 S125 L126 D127 C131 A132 V133 | L3-F129 HydrophobicContact CD1-CB 4.25Å; L3-F129 HydrophobicContact CD1-CD2 4Å; L3-F129 HydrophobicContact CD2-CB 4.29Å; V11-F129 HydrophobicContact CG1-CB 4.34Å; V11-F129 HydrophobicContact CG1-CD1 4.04Å; V11-F129 HydrophobicContact CG1-CD2 4Å; V11-F129 HydrophobicContact CG1-CE1 4.36Å; V11-F129 HydrophobicContact CG1-CE2 4.32Å; V11-F129 HydrophobicContact CG1-CG 3.84Å; V11-F129 HydrophobicContact CG1-CZ 4.49Å; V11-F129 HydrophobicContact CG2-CB 3.64Å; V11-F129 HydrophobicContact CG2-CG 4.08Å; F15-F129 HydrophobicContact CE2-CD1 4.17Å; F15-F129 AromaticContact CE2-CE1 3.76Å; F15-F129 HydrophobicContact CE2-CE1 3.76Å; F15-F129 AromaticContact CZ-CE1 3.73Å; F15-F129 HydrophobicContact CZ-CE1 3.73Å; F15-F129 HydrophobicContact CZ-CZ 4.46Å; L67-F129 HydrophobicContact CD2-CE1 4.46Å; A70-F129 HydrophobicContact CB-CE2 4.11Å; A70-F129 HydrophobicContact CB-CZ 3.86Å; V71-F129 HydrophobicContact CG2-CE1 3.91Å; V71-F129 HydrophobicContact CG2-CE2 3.8Å; V71-F129 HydrophobicContact CG2-CZ 3.37Å; I74-F129 HydrophobicContact CD1-CD2 4.26Å; I74-F129 HydrophobicContact CG1-CD2 4.41Å; I77-F129 HydrophobicContact CD1-CD2 4.18Å; I77-F129 HydrophobicContact CD1-CE2 4.04Å; S125-F129 WeakPolarHBondContact O-CB 3.37Å; S125-F129 PolarHBondContact O-N 2.73Å; S125-F129 VanDerWaalsContact O-N 3.07Å; L126-F129 WeakPolarHBondContact O-CB 3.46Å; L126-F129 PolarHBondContact O-N 3.06Å; D127-F129 VanDerWaalsContact C-N 3.31Å; D127-F129 PolarHBondContact O-N 3.41Å; F129-C131 VanDerWaalsContact C-N 3.3Å; F129-C131 PolarHBondContact O-N 3.07Å; F129-A132 WeakPolarHBondContact O-CB 3.14Å; F129-A132 PolarHBondContact O-N 3.24Å; F129-A132 VanDerWaalsContact O-N 3.08Å; F129-V133 HydrophobicContact CD2-CG2 4.32Å; F129-V133 HydrophobicContact CE1-CG2 4.09Å; F129-V133 HydrophobicContact CE2-CG2 3.82Å; F129-V133 HydrophobicContact CZ-CG2 3.69Å; F129-V133 WeakPolarHBondContact O-CG2 3.38Å; F129-V133 PolarHBondContact O-N 2.76Å |
| 130 | L | 98.6 | Very high | 98 | Very high | 18 Ų | 18 | 42.9 Ų | 42.9 | 9% | 0.094 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -37.1 | 177.6 | -65.8 | 167 | 0 | 0 | 0 | 111.6 | L67 F106 L107 L126 D127 V133 S134 | L67-L130 HydrophobicContact CD1-CD2 4.48Å; L67-L130 HydrophobicContact CD2-CD2 4.21Å; F106-L130 HydrophobicContact CD1-CD1 3.86Å; F106-L130 HydrophobicContact CD1-CD2 4.12Å; F106-L130 HydrophobicContact CE1-CD2 4.49Å; L107-L130 HydrophobicContact CD1-CD1 4.21Å; L107-L130 HydrophobicContact CD2-CD1 3.94Å; L107-L130 HydrophobicContact CG-CD1 3.76Å; L126-L130 VanDerWaalsContact O-CG 3.29Å; L126-L130 WeakPolarHBondContact O-CG 3.48Å; L126-L130 PolarHBondContact O-N 2.93Å; D127-L130 PolarHBondContact O-N 3.1Å; L130-V133 PolarHBondContact O-N 3.49Å; L130-S134 VanDerWaalsContact O-CB 3.3Å; L130-S134 WeakPolarHBondContact O-CB 3.48Å; L130-S134 PolarHBondContact O-N 3.38Å |
| 131 | C | 98.1 | Very high | 97.8 | Very high | 53 Ų | 53 | 41 Ų | 41 | 36% | 0.358 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 171.1 | -75.5 | 0 | 0 | 0 | 0 | 112.3 | M1 D127 K128 F129 S134 A135 | M1-C131 HydrophobicContact CE-CB 4.18Å; D127-C131 WeakPolarHBondContact O-CB 3.28Å; D127-C131 PolarHBondContact O-N 3.34Å; D127-C131 PolarHBondContact O-SG 3.49Å; K128-C131 PolarHBondContact O-N 3.25Å; F129-C131 VanDerWaalsContact C-N 3.3Å; F129-C131 PolarHBondContact O-N 3.07Å; C131-S134 PolarHBondContact O-N 3.04Å; C131-A135 WeakPolarHBondContact O-CB 3.33Å; C131-A135 PolarHBondContact O-N 3.02Å |
| 132 | A | 98.3 | Very high | 97.2 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 14% | 0.14 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.3 | -44.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | I77 K128 F129 A135 V136 | I77-A132 HydrophobicContact CD1-CB 4.4Å; K128-A132 PolarHBondContact O-N 2.93Å; F129-A132 WeakPolarHBondContact O-CB 3.14Å; F129-A132 PolarHBondContact O-N 3.24Å; F129-A132 VanDerWaalsContact O-N 3.08Å; A132-A135 PolarHBondContact O-N 2.96Å; A132-V136 WeakPolarHBondContact O-CG2 3.4Å; A132-V136 PolarHBondContact O-N 3.14Å |
| 133 | V | 98.4 | Very high | 97.1 | Very high | 9 Ų | 9 | 51.6 Ų | 51.6 | 6% | 0.055 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -59.8 | -47.1 | 174.2 | 170.4 | 0 | 0 | 0 | 0 | 110.9 | L67 A70 I77 L81 F129 L130 A135 V136 L137 | L67-V133 HydrophobicContact CD2-CG1 4.03Å; L67-V133 HydrophobicContact CD2-CG2 4.47Å; A70-V133 HydrophobicContact CB-CG2 4.01Å; I77-V133 HydrophobicContact CG2-CG2 4.14Å; L81-V133 HydrophobicContact CD1-CG1 3.87Å; F129-V133 HydrophobicContact CD2-CG2 4.32Å; F129-V133 HydrophobicContact CE1-CG2 4.09Å; F129-V133 HydrophobicContact CE2-CG2 3.82Å; F129-V133 HydrophobicContact CZ-CG2 3.69Å; F129-V133 WeakPolarHBondContact O-CG2 3.38Å; F129-V133 PolarHBondContact O-N 2.76Å; L130-V133 PolarHBondContact O-N 3.49Å; V133-A135 VanDerWaalsContact C-N 3.35Å; V133-A135 PolarHBondContact O-N 2.83Å; V133-V136 PolarHBondContact O-N 3.43Å; V133-V136 VanDerWaalsContact O-N 3.16Å; V133-L137 HydrophobicContact CG1-CD1 3.89Å; V133-L137 HydrophobicContact CG1-CG 4.32Å; V133-L137 WeakPolarHBondContact O-CG 3.26Å; V133-L137 PolarHBondContact O-N 3.33Å |
| 134 | S | 98 | Very high | 97 | Very high | 16 Ų | 16 | 49.7 Ų | 49.7 | 11% | 0.112 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.6 | -44.6 | 177.2 | 176.5 | 0 | 0 | 0 | 0 | 112.2 | F99 L130 C131 V136 L137 T138 | F99-S134 WeakPolarHBondContact CB-OG 3.29Å; L130-S134 VanDerWaalsContact O-CB 3.3Å; L130-S134 WeakPolarHBondContact O-CB 3.48Å; L130-S134 PolarHBondContact O-N 3.38Å; C131-S134 PolarHBondContact O-N 3.04Å; S134-V136 VanDerWaalsContact C-N 3.33Å; S134-V136 PolarHBondContact O-N 3.48Å; S134-L137 PolarHBondContact O-N 3.22Å; S134-T138 WeakPolarHBondContact O-CB 3.31Å; S134-T138 WeakPolarHBondContact O-CG2 3.35Å; S134-T138 PolarHBondContact O-N 2.65Å; S134-T138 PolarHBondContact O-OG1 3.3Å |
| 135 | A | 97.2 | Very high | 96.9 | Very high | 55 Ų | 55 | 49.9 Ų | 49.9 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.3 | -41.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112 | C131 A132 V133 T138 A139 | C131-A135 WeakPolarHBondContact O-CB 3.33Å; C131-A135 PolarHBondContact O-N 3.02Å; A132-A135 PolarHBondContact O-N 2.96Å; V133-A135 VanDerWaalsContact C-N 3.35Å; V133-A135 PolarHBondContact O-N 2.83Å; A135-T138 PolarHBondContact O-N 2.9Å; A135-T138 PolarHBondContact O-OG1 3.46Å; A135-A139 WeakPolarHBondContact O-CB 3.22Å; A135-A139 PolarHBondContact O-N 3.07Å |
| 136 | V | 97.8 | Very high | 96.8 | Very high | 28 Ų | 28 | 52.7 Ų | 52.7 | 17% | 0.17 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65 | -45.3 | 176.2 | 166.7 | 0 | 0 | 0 | 0 | 111.9 | I77 L81 S85 A132 V133 S134 T138 A139 | I77-V136 HydrophobicContact CB-CG2 4.37Å; I77-V136 HydrophobicContact CG2-CB 4.3Å; I77-V136 HydrophobicContact CG2-CG1 4.38Å; I77-V136 HydrophobicContact CG2-CG2 4Å; L81-V136 HydrophobicContact CB-CG1 3.98Å; S85-V136 WeakPolarHBondContact CB-O 3.25Å; S85-V136 PolarHBondContact OG-O 2.94Å; A132-V136 WeakPolarHBondContact O-CG2 3.4Å; A132-V136 PolarHBondContact O-N 3.14Å; V133-V136 PolarHBondContact O-N 3.43Å; V133-V136 VanDerWaalsContact O-N 3.16Å; S134-V136 VanDerWaalsContact C-N 3.33Å; S134-V136 PolarHBondContact O-N 3.48Å; V136-T138 PolarHBondContact O-N 3.27Å; V136-A139 WeakPolarHBondContact O-CB 2.83Å; V136-A139 PolarHBondContact O-N 2.73Å |
| 137 | L | 98.1 | Very high | 96.7 | Very high | 19 Ų | 19 | 56 Ų | 56 | 10% | 0.099 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.5 | -21.4 | -179.6 | -68.4 | 177.4 | 0 | 0 | 0 | 112.9 | L81 L84 F99 V133 S134 Y141 | L81-L137 HydrophobicContact CB-CD2 4.27Å; L81-L137 HydrophobicContact CD1-CD2 4.27Å; L81-L137 HydrophobicContact CD1-CG 4.46Å; L84-L137 HydrophobicContact CB-CD2 3.71Å; F99-L137 HydrophobicContact CD1-CB 4.25Å; F99-L137 HydrophobicContact CD1-CD1 3.9Å; F99-L137 HydrophobicContact CE1-CB 3.78Å; F99-L137 HydrophobicContact CE1-CD1 3.66Å; F99-L137 HydrophobicContact CE1-CG 4.36Å; F99-L137 HydrophobicContact CZ-CB 4.22Å; V133-L137 HydrophobicContact CG1-CD1 3.89Å; V133-L137 HydrophobicContact CG1-CG 4.32Å; V133-L137 WeakPolarHBondContact O-CG 3.26Å; V133-L137 PolarHBondContact O-N 3.33Å; S134-L137 PolarHBondContact O-N 3.22Å; L137-Y141 WeakPolarHBondContact O-CE2 3.45Å |
| 138 | T | 97.4 | Very high | 96.6 | Very high | 31 Ų | 31 | 55.1 Ų | 55.1 | 19% | 0.19 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -104.7 | -3.5 | -179.7 | 57.5 | 0 | 0 | 0 | 0 | 114 | P96 F99 S134 A135 V136 K140 Y141 | P96-T138 HydrophobicContact CB-CG2 3.77Å; P96-T138 HydrophobicContact CG-CG2 4.01Å; F99-T138 HydrophobicContact CD2-CG2 3.66Å; F99-T138 HydrophobicContact CE2-CG2 3.64Å; F99-T138 HydrophobicContact CG-CG2 4.39Å; F99-T138 HydrophobicContact CZ-CG2 4.36Å; S134-T138 WeakPolarHBondContact O-CB 3.31Å; S134-T138 WeakPolarHBondContact O-CG2 3.35Å; S134-T138 PolarHBondContact O-N 2.65Å; S134-T138 PolarHBondContact O-OG1 3.3Å; A135-T138 PolarHBondContact O-N 2.9Å; A135-T138 PolarHBondContact O-OG1 3.46Å; V136-T138 PolarHBondContact O-N 3.27Å; T138-K140 PolarHBondContact O-N 3.16Å; T138-K140 VanDerWaalsContact O-N 3.15Å; T138-Y141 VanDerWaalsContact CA-CD2 3.5Å; T138-Y141 HydrophobicContact CG2-CE2 4.2Å; T138-Y141 VanDerWaalsContact O-CD2 3.32Å; T138-Y141 WeakPolarHBondContact O-CD2 3.28Å; T138-Y141 PolarHBondContact O-N 3.38Å |
| 139 | A | 96.2 | Very high | 96.4 | Very high | 72 Ų | 72 | 54.5 Ų | 54.5 | 60% | 0.595 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -27.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | A135 V136 | A135-A139 WeakPolarHBondContact O-CB 3.22Å; A135-A139 PolarHBondContact O-N 3.07Å; V136-A139 WeakPolarHBondContact O-CB 2.83Å; V136-A139 PolarHBondContact O-N 2.73Å |
| 140 | K | 95.5 | Very high | 96.3 | Very high | 77 Ų | 77 | 58.7 Ų | 58.7 | 34% | 0.335 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | 15 | -174.9 | -59.1 | -178.3 | -178.3 | 172.4 | 0 | 114.1 | S82 D86 A89 T138 R142 | S82-K140 PolarHBondContact O-NZ 3.11Å; S82-K140 VanDerWaalsContact O-NZ 3.11Å; S82-K140 PolarHBondContact OG-NZ 3.11Å; D86-K140 WeakPolarHBondContact OD1-CD 3.28Å; D86-K140 WeakPolarHBondContact OD1-CE 3.13Å; D86-K140 IonicContact OD1-NZ 2.71Å; D86-K140 PolarHBondContact OD1-NZ 3.48Å; D86-K140 IonicContact OD2-NZ 3Å; D86-K140 PolarHBondContact OD2-NZ 2.79Å; A89-K140 HydrophobicContact CB-CB 3.99Å; A89-K140 WeakPolarHBondContact CB-O 3.49Å; T138-K140 PolarHBondContact O-N 3.16Å; T138-K140 VanDerWaalsContact O-N 3.15Å; K140-R142 VanDerWaalsContact C-N 3.25Å; K140-R142 PolarHBondContact O-N 3.37Å |
| 141 | Y | 93.8 | Very high | 96.1 | Very high | 62 Ų | 62 | 62.1 Ų | 62.1 | 24% | 0.243 | 33% | 0.326 | C | S | . | . | trans | -76.8 | -11.6 | 178.7 | -83.7 | -116.2 | 0 | 0 | 0 | 113.3 | H88 A89 V94 P96 L137 T138 | H88-Y141 VanDerWaalsContact C-OH 3.31Å; H88-Y141 HydrophobicContact CB-CE2 4.43Å; H88-Y141 PolarHBondContact O-OH 2.96Å; A89-Y141 HydrophobicContact CB-CD2 3.42Å; A89-Y141 VanDerWaalsContact CB-CD2 3.42Å; A89-Y141 HydrophobicContact CB-CE2 3.57Å; A89-Y141 HydrophobicContact CB-CG 4.12Å; V94-Y141 PolarHBondContact N-OH 2.68Å; V94-Y141 WeakPolarHBondContact O-CE1 3.18Å; V94-Y141 PolarHBondContact O-OH 3.06Å; P96-Y141 HydrophobicContact CG-CD1 4.18Å; P96-Y141 HydrophobicContact CG-CE1 4.34Å; L137-Y141 WeakPolarHBondContact O-CE2 3.45Å; T138-Y141 VanDerWaalsContact CA-CD2 3.5Å; T138-Y141 HydrophobicContact CG2-CE2 4.2Å; T138-Y141 VanDerWaalsContact O-CD2 3.32Å; T138-Y141 WeakPolarHBondContact O-CD2 3.28Å; T138-Y141 PolarHBondContact O-N 3.38Å | ||
| 142 | R | 84.1 | Confident | 95.9 | Very high | 306 Ų | 306 | 62.9 Ų | 62.9 | 100% | 1.155 | 32% | 0.323 | S | S | * | . | trans | -135.6 | 0 | -176.7 | -61.4 | -175.5 | -177.3 | -151.5 | -0.8 | 110.2 | K140 | K140-R142 VanDerWaalsContact C-N 3.25Å; K140-R142 PolarHBondContact O-N 3.37Å |
Retrieved 142 of 142 residues in 39 ms
(Link to these results)