| 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 | 87.6 | Confident | 96.2 | Very high | 180 Ų | 180 | 25.3 Ų | 25.3 | 89% | 0.887 | 12% | 0.122 | S | C | * | . | 0 | 144.2 | 0 | -68.5 | -173.2 | -82.6 | 0 | 0 | 108.7 | K76 | M1-K76 HydrophobicContact CB-CD 4.43Å; M1-K76 HydrophobicContact SD-CB 4.46Å | |||
| 2 | K | 94 | Very high | 96.1 | Very high | 29 Ų | 29 | 23.8 Ų | 23.8 | 13% | 0.126 | 11% | 0.114 | C | C | . | . | trans | -77.5 | 145.2 | -177.5 | -58.5 | -172.8 | -173.9 | -67.5 | 0 | 112.4 | V4 W75 K76 L101 A103 K104 V106 | K2-V4 HydrophobicContact CB-CG2 4.1Å; K2-W75 HydrophobicContact CB-CB 4.22Å; K2-W75 HydrophobicContact CD-CB 3.88Å; K2-W75 HydrophobicContact CD-CD2 3.95Å; K2-W75 HydrophobicContact CD-CG 3.57Å; K2-W75 VanDerWaalsContact CE-CD1 3.4Å; K2-W75 HydrophobicContact CG-CB 4.13Å; K2-W75 HydrophobicContact CG-CG 4.36Å; K2-W75 PolarHBondContact N-O 3.39Å; K2-W75 VanDerWaalsContact N-O 3.15Å; K2-K76 WeakPolarHBondContact O-CE 3.33Å; K2-K76 PolarHBondContact O-NZ 3.23Å; K2-L101 VanDerWaalsContact CE-O 3.23Å; K2-L101 WeakPolarHBondContact CE-O 3.19Å; K2-L101 PolarHBondContact NZ-O 2.97Å; K2-A103 WeakPolarHBondContact CD-O 3.12Å; K2-A103 PolarHBondContact NZ-O 3.43Å; K2-K104 CarbonylContact C-O 3.51Å; K2-K104 WeakPolarHBondContact CA-O 3.47Å; K2-K104 VanDerWaalsContact CB-O 3.31Å; K2-K104 WeakPolarHBondContact CB-O 3.23Å; K2-V106 HydrophobicContact CD-CG2 3.83Å | ||
| 3 | Q | 96.6 | Very high | 96 | Very high | 68 Ų | 68 | 22.7 Ų | 22.7 | 32% | 0.318 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 133.9 | 162.3 | -56 | -55.1 | -25.8 | 0 | 0 | 108.3 | K104 D105 V106 L207 | Q3-K104 PolarHBondContact N-O 3.4Å; Q3-D105 WeakPolarHBondContact CB-OD1 3.4Å; Q3-D105 CarbonylContact O-C 3.59Å; Q3-D105 WeakPolarHBondContact O-CA 3.34Å; Q3-V106 PolarHBondContact O-N 2.85Å; Q3-L207 HydrophobicContact CB-CB 4.25Å; Q3-L207 HydrophobicContact CB-CD2 3.92Å |
| 4 | V | 97.9 | Very high | 95.8 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 133 | -172.7 | -172.1 | 0 | 0 | 0 | 0 | 110 | K2 L6 L72 W75 V106 V108 C132 S133 | K2-V4 HydrophobicContact CB-CG2 4.1Å; V4-L6 HydrophobicContact CG1-CD2 4.02Å; V4-L72 HydrophobicContact CB-CD2 4.34Å; V4-L72 HydrophobicContact CG1-CD2 3.88Å; V4-L72 HydrophobicContact CG2-CD2 4.33Å; V4-W75 HydrophobicContact CG1-CZ3 4.25Å; V4-W75 HydrophobicContact CG2-CE3 3.92Å; V4-W75 HydrophobicContact CG2-CZ3 4.36Å; V4-V106 CarbonylContact C-O 3.58Å; V4-V106 VanDerWaalsContact CA-O 3.23Å; V4-V106 WeakPolarHBondContact CA-O 3.22Å; V4-V106 HydrophobicContact CG2-CB 4.42Å; V4-V108 HydrophobicContact CG1-CG2 3.98Å; V4-C132 HydrophobicContact CB-CB 4.24Å; V4-C132 WeakPolarHBondContact O-CB 3.16Å; V4-S133 PolarHBondContact O-N 2.93Å |
| 5 | V | 98 | Very high | 95.6 | Very high | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 121.2 | 165.6 | -170.6 | 0 | 0 | 0 | 0 | 108.3 | V106 I107 V108 A135 L206 L207 | V5-V106 PolarHBondContact N-O 3.26Å; V5-I107 HydrophobicContact CB-CG1 4.44Å; V5-I107 HydrophobicContact CG2-CG1 4.42Å; V5-V108 PolarHBondContact O-N 3.16Å; V5-A135 HydrophobicContact CG1-CB 4.38Å; V5-L206 HydrophobicContact CG1-CB 4.38Å; V5-L206 HydrophobicContact CG2-CB 4.13Å; V5-L207 HydrophobicContact CG2-CB 4.43Å; V5-L207 HydrophobicContact CG2-CD2 3.67Å; V5-L207 HydrophobicContact CG2-CG 3.76Å |
| 6 | L | 98.6 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 119.8 | 166.2 | -59.2 | -172.3 | 0 | 0 | 0 | 108.7 | V4 L68 L72 V108 I123 L126 A127 S133 Y134 A135 | V4-L6 HydrophobicContact CG1-CD2 4.02Å; L6-L68 HydrophobicContact CD1-CD2 4.27Å; L6-L68 HydrophobicContact CD2-CD1 4.3Å; L6-L68 HydrophobicContact CD2-CD2 4.24Å; L6-L72 HydrophobicContact CD1-CD1 3.89Å; L6-L72 HydrophobicContact CD2-CD1 4.4Å; L6-L72 HydrophobicContact CD2-CD2 4.26Å; L6-V108 HydrophobicContact CD2-CB 3.84Å; L6-V108 HydrophobicContact CD2-CG1 4.36Å; L6-V108 HydrophobicContact CD2-CG2 3.98Å; L6-I123 HydrophobicContact CB-CG2 3.87Å; L6-I123 HydrophobicContact CD1-CG2 4Å; L6-L126 HydrophobicContact CD1-CD2 4.4Å; L6-L126 HydrophobicContact CD1-CG 4.34Å; L6-A127 HydrophobicContact CB-CB 4.37Å; L6-A127 HydrophobicContact CD1-CB 3.86Å; L6-A127 HydrophobicContact CG-CB 4.21Å; L6-S133 PolarHBondContact N-O 2.87Å; L6-Y134 WeakPolarHBondContact O-CA 3.14Å; L6-A135 PolarHBondContact O-N 3.2Å |
| 7 | T | 98.4 | Very high | 95.4 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 114 | -175.9 | -55.9 | 0 | 0 | 0 | 0 | 109.8 | V9 V108 L109 L110 A135 I137 L203 | T7-V9 HydrophobicContact CG2-CG2 4.45Å; T7-V108 PolarHBondContact N-O 3.39Å; T7-L109 HydrophobicContact CG2-CD2 4.17Å; T7-L110 PolarHBondContact O-N 2.8Å; T7-A135 WeakPolarHBondContact CA-O 3.37Å; T7-A135 HydrophobicContact CG2-CB 4.29Å; T7-I137 HydrophobicContact CG2-CD1 3.53Å; T7-I137 HydrophobicContact CG2-CG1 3.81Å; T7-L203 HydrophobicContact CG2-CD1 4.31Å; T7-L203 HydrophobicContact CG2-CD2 3.97Å |
| 8 | T | 98.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 21.9 Ų | 21.9 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 123.5 | 170.6 | 58 | 0 | 0 | 0 | 0 | 109.4 | L110 F114 I123 Y134 A135 S136 I137 | T8-L110 HydrophobicContact CG2-CD1 4.33Å; T8-F114 HydrophobicContact CG2-CD1 4.2Å; T8-F114 HydrophobicContact CG2-CD2 4.35Å; T8-F114 HydrophobicContact CG2-CE1 3.99Å; T8-F114 HydrophobicContact CG2-CE2 4.14Å; T8-F114 HydrophobicContact CG2-CG 4.39Å; T8-F114 HydrophobicContact CG2-CZ 3.97Å; T8-I123 HydrophobicContact CG2-CB 3.93Å; T8-I123 HydrophobicContact CG2-CG1 3.84Å; T8-I123 HydrophobicContact CG2-CG2 3.95Å; T8-Y134 HydrophobicContact CG2-CE2 3.95Å; T8-Y134 PolarHBondContact OG1-OH 3.45Å; T8-Y134 VanDerWaalsContact OG1-OH 3.08Å; T8-A135 PolarHBondContact N-O 3.22Å; T8-S136 CarbonylContact O-C 3.57Å; T8-S136 WeakPolarHBondContact O-CA 3.41Å; T8-S136 PolarHBondContact OG1-OG 2.84Å; T8-I137 PolarHBondContact O-N 3.16Å |
| 9 | V | 97.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 111.6 | 172.6 | -172.5 | 0 | 0 | 0 | 0 | 106.6 | T7 K17 L20 L110 I137 | T7-V9 HydrophobicContact CG2-CG2 4.45Å; V9-K17 HydrophobicContact CG1-CB 3.88Å; V9-K17 HydrophobicContact CG1-CG 4.23Å; V9-L20 HydrophobicContact CG1-CD2 4.44Å; V9-L110 PolarHBondContact N-O 2.98Å; V9-I137 HydrophobicContact CG1-CB 4.42Å; V9-I137 HydrophobicContact CG2-CB 4.41Å; V9-I137 HydrophobicContact CG2-CD1 4.16Å |
| 10 | L | 96.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 157.7 | -168.2 | 71 | 143.3 | 0 | 0 | 0 | 111.9 | F114 I137 A138 C139 F169 W171 P172 | L10-F114 HydrophobicContact CB-CB 3.54Å; L10-I137 VanDerWaalsContact CD2-C 3.49Å; L10-I137 WeakPolarHBondContact CD2-O 3.49Å; L10-I137 PolarHBondContact N-O 2.84Å; L10-A138 HydrophobicContact CD1-CB 4.39Å; L10-A138 HydrophobicContact CD2-CB 4.15Å; L10-A138 HydrophobicContact CG-CB 4.23Å; L10-C139 WeakPolarHBondContact O-CB 3.35Å; L10-C139 PolarHBondContact O-N 3.3Å; L10-F169 HydrophobicContact CB-CZ 4.5Å; L10-F169 HydrophobicContact CD1-CE1 3.85Å; L10-F169 HydrophobicContact CD1-CZ 4.02Å; L10-W171 HydrophobicContact CD1-CE3 4.41Å; L10-P172 HydrophobicContact CD1-CG 3.56Å; L10-P172 HydrophobicContact CD2-CG 4.15Å; L10-P172 HydrophobicContact CG-CG 4.49Å |
| 11 | G | 95.2 | Very high | 95.1 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 13% | 0.131 | C | C | . | . | trans | 144.8 | 163.7 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | K17 N113 | G11-K17 WeakPolarHBondContact O-CD 3.46Å; G11-K17 PolarHBondContact O-NZ 3.07Å; G11-N113 PolarHBondContact N-O 2.87Å; G11-N113 VanDerWaalsContact N-O 3.11Å; G11-N113 WeakPolarHBondContact O-CA 3.47Å | ||
| 12 | L | 94.9 | Very high | 95.5 | Very high | 7 Ų | 7 | 18.5 Ų | 18.5 | 4% | 0.037 | 11% | 0.108 | C | C | . | . | trans | -61.9 | 158.8 | -177.6 | -67.8 | 170.9 | 0 | 0 | 0 | 112.6 | G14 S15 K17 M143 C146 M165 E166 F169 | L12-G14 PolarHBondContact O-N 2.61Å; L12-S15 PolarHBondContact N-OG 2.97Å; L12-S15 VanDerWaalsContact O-CB 3.25Å; L12-S15 WeakPolarHBondContact O-CB 3.5Å; L12-S15 PolarHBondContact O-N 3.2Å; L12-S15 VanDerWaalsContact O-N 3.08Å; L12-S15 PolarHBondContact O-OG 3.42Å; L12-K17 PolarHBondContact O-NZ 3.35Å; L12-M143 HydrophobicContact CD1-CE 3.57Å; L12-M143 HydrophobicContact CD1-SD 4.47Å; L12-C146 HydrophobicContact CB-CB 4.44Å; L12-M165 HydrophobicContact CD2-CB 3.94Å; L12-E166 HydrophobicContact CD1-CB 4.17Å; L12-E166 HydrophobicContact CD2-CB 4.21Å; L12-F169 HydrophobicContact CD2-CD2 3.73Å; L12-F169 HydrophobicContact CD2-CE2 4.29Å; L12-F169 HydrophobicContact CG-CD2 4.19Å; L12-F169 HydrophobicContact CG-CE2 4.46Å | ||
| 13 | P | 94.7 | Very high | 95.5 | Very high | 10 Ų | 10 | 22.7 Ų | 22.7 | 7% | 0.065 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | 132 | 164.9 | -25.1 | 35.7 | 0 | 0 | 0 | 110.4 | S15 C146 V157 I162 M165 | P13-S15 VanDerWaalsContact C-N 3.33Å; P13-S15 PolarHBondContact O-N 3.1Å; P13-C146 WeakPolarHBondContact O-CB 3.5Å; P13-V157 HydrophobicContact CB-CG2 4.15Å; P13-V157 HydrophobicContact CG-CG2 4.15Å; P13-I162 HydrophobicContact CB-CD1 4.1Å; P13-I162 HydrophobicContact CB-CG1 4.26Å; P13-I162 HydrophobicContact CG-CG1 4.23Å; P13-M165 HydrophobicContact CG-CE 4.06Å; P13-M165 HydrophobicContact CG-SD 3.92Å |
| 14 | G | 92.8 | Very high | 95.4 | Very high | 15 Ų | 15 | 19.5 Ų | 19.5 | 16% | 0.155 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 82.2 | -1.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116 | L12 G16 R149 | L12-G14 PolarHBondContact O-N 2.61Å; G14-G16 PolarHBondContact O-N 3.37Å; G14-R149 WeakPolarHBondContact O-CD 3.2Å; G14-R149 PolarHBondContact O-NH1 3.31Å |
| 15 | S | 93.8 | Very high | 95.3 | Very high | 5 Ų | 5 | 23.4 Ų | 23.4 | 4% | 0.035 | 13% | 0.126 | C | C | . | . | S | Bend | trans | -71.1 | -10.1 | 178.6 | 56.7 | 0 | 0 | 0 | 0 | 115.4 | L12 P13 K17 | L12-S15 PolarHBondContact N-OG 2.97Å; L12-S15 VanDerWaalsContact O-CB 3.25Å; L12-S15 WeakPolarHBondContact O-CB 3.5Å; L12-S15 PolarHBondContact O-N 3.2Å; L12-S15 VanDerWaalsContact O-N 3.08Å; L12-S15 PolarHBondContact O-OG 3.42Å; P13-S15 VanDerWaalsContact C-N 3.33Å; P13-S15 PolarHBondContact O-N 3.1Å; S15-K17 WeakPolarHBondContact OG-CG 3.41Å |
| 16 | G | 92.4 | Very high | 95.1 | Very high | 26 Ų | 26 | 29.4 Ų | 29.4 | 27% | 0.268 | 15% | 0.154 | S | C | . | . | S | Bend | trans | 97.8 | 7.3 | 178.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | G14 S18 T19 L20 | G14-G16 PolarHBondContact O-N 3.37Å; G16-S18 PolarHBondContact O-N 3.17Å; G16-T19 PolarHBondContact O-N 3.16Å; G16-L20 PolarHBondContact O-N 2.6Å |
| 17 | K | 94.6 | Very high | 94.8 | Very high | 17 Ų | 17 | 31.8 Ų | 31.8 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -50.4 | -55.6 | 179 | -53.7 | -174 | -53 | -62.4 | 0 | 113.6 | V9 G11 L12 S15 T19 L20 C21 D111 D112 C139 | V9-K17 HydrophobicContact CG1-CB 3.88Å; V9-K17 HydrophobicContact CG1-CG 4.23Å; G11-K17 WeakPolarHBondContact O-CD 3.46Å; G11-K17 PolarHBondContact O-NZ 3.07Å; L12-K17 PolarHBondContact O-NZ 3.35Å; S15-K17 WeakPolarHBondContact OG-CG 3.41Å; K17-T19 VanDerWaalsContact C-N 3.33Å; K17-T19 PolarHBondContact O-N 3.34Å; K17-L20 WeakPolarHBondContact O-CA 3.32Å; K17-L20 WeakPolarHBondContact O-CB 3.44Å; K17-L20 PolarHBondContact O-N 2.9Å; K17-C21 PolarHBondContact O-N 3.07Å; K17-C21 PolarHBondContact O-SG 3.26Å; K17-C21 VanDerWaalsContact O-SG 3.33Å; K17-D111 WeakPolarHBondContact CB-OD1 3.42Å; K17-D111 WeakPolarHBondContact CE-OD1 3.29Å; K17-D112 WeakPolarHBondContact CE-O 3.2Å; K17-C139 HydrophobicContact CG-CB 4.02Å |
| 18 | S | 94.3 | Very high | 94 | Very high | 36 Ų | 36 | 40.9 Ų | 40.9 | 25% | 0.252 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -65.2 | -38.1 | -175.8 | -46.9 | 0 | 0 | 0 | 0 | 111.8 | G16 L20 C21 E22 D111 | G16-S18 PolarHBondContact O-N 3.17Å; S18-L20 VanDerWaalsContact C-N 3.32Å; S18-L20 PolarHBondContact O-N 3.13Å; S18-C21 PolarHBondContact O-N 2.79Å; S18-E22 VanDerWaalsContact O-CB 3.32Å; S18-E22 WeakPolarHBondContact O-CB 3.42Å; S18-E22 PolarHBondContact O-N 3.43Å; S18-D111 WeakPolarHBondContact CA-OD2 3.48Å; S18-D111 WeakPolarHBondContact CB-OD2 3.32Å; S18-D111 PolarHBondContact OG-OD2 3.41Å |
| 19 | T | 93.1 | Very high | 93.4 | Very high | 68 Ų | 68 | 42.4 Ų | 42.4 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.4 | -38.6 | 172.1 | -51.5 | 0 | 0 | 0 | 0 | 111.9 | G16 K17 R23 | G16-T19 PolarHBondContact O-N 3.16Å; K17-T19 VanDerWaalsContact C-N 3.33Å; K17-T19 PolarHBondContact O-N 3.34Å; T19-R23 WeakPolarHBondContact O-CB 3.16Å; T19-R23 VanDerWaalsContact O-CG 3.29Å; T19-R23 WeakPolarHBondContact O-CG 3.41Å; T19-R23 PolarHBondContact O-N 3.34Å |
| 20 | L | 93.5 | Very high | 92.7 | Very high | 22 Ų | 22 | 50.7 Ų | 50.7 | 12% | 0.115 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 174.6 | 178.5 | 65 | 0 | 0 | 0 | 111.6 | V9 G16 K17 S18 E22 R23 L24 I137 I186 L199 | V9-L20 HydrophobicContact CG1-CD2 4.44Å; G16-L20 PolarHBondContact O-N 2.6Å; K17-L20 WeakPolarHBondContact O-CA 3.32Å; K17-L20 WeakPolarHBondContact O-CB 3.44Å; K17-L20 PolarHBondContact O-N 2.9Å; S18-L20 VanDerWaalsContact C-N 3.32Å; S18-L20 PolarHBondContact O-N 3.13Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.42Å; L20-R23 PolarHBondContact O-N 3.49Å; L20-L24 HydrophobicContact CD1-CD1 4.37Å; L20-L24 HydrophobicContact CD1-CG 4.36Å; L20-L24 HydrophobicContact CG-CD1 4.12Å; L20-L24 WeakPolarHBondContact O-CB 3.01Å; L20-L24 WeakPolarHBondContact O-CG 2.92Å; L20-L24 PolarHBondContact O-N 3.08Å; L20-I137 HydrophobicContact CD2-CG2 3.69Å; L20-I186 HydrophobicContact CD1-CD1 4.48Å; L20-I186 HydrophobicContact CD2-CD1 3.61Å; L20-L199 HydrophobicContact CD1-CD2 3.9Å; L20-L199 HydrophobicContact CD2-CD2 4.02Å; L20-L199 HydrophobicContact CG-CD2 4.31Å |
| 21 | C | 95.6 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 176.9 | -68.7 | 0 | 0 | 0 | 0 | 111.7 | K17 S18 L24 H25 W36 L109 | K17-C21 PolarHBondContact O-N 3.07Å; K17-C21 PolarHBondContact O-SG 3.26Å; K17-C21 VanDerWaalsContact O-SG 3.33Å; S18-C21 PolarHBondContact O-N 2.79Å; C21-L24 PolarHBondContact O-N 3.22Å; C21-H25 VanDerWaalsContact O-CB 3.22Å; C21-H25 WeakPolarHBondContact O-CB 3.43Å; C21-H25 PolarHBondContact O-N 2.92Å; C21-W36 HydrophobicContact CB-CD2 3.97Å; C21-W36 HydrophobicContact CB-CG 4.02Å; C21-W36 HydrophobicContact CB-CZ2 4.16Å; C21-L109 HydrophobicContact CB-CD1 4.37Å |
| 22 | E | 94.9 | Very high | 92.1 | Very high | 85 Ų | 85 | 55.1 Ų | 55.1 | 40% | 0.397 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -58.5 | -51.2 | 175.3 | -179.9 | 178.2 | -153.4 | 0 | 0 | 111.1 | S18 L20 L24 H25 Q26 W36 | S18-E22 VanDerWaalsContact O-CB 3.32Å; S18-E22 WeakPolarHBondContact O-CB 3.42Å; S18-E22 PolarHBondContact O-N 3.43Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.42Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.39Å; E22-H25 PolarHBondContact O-N 2.77Å; E22-Q26 HydrophobicContact CG-CG 4.47Å; E22-Q26 VanDerWaalsContact CG-NE2 3.31Å; E22-Q26 WeakPolarHBondContact O-CB 3.31Å; E22-Q26 VanDerWaalsContact O-CG 3.3Å; E22-Q26 WeakPolarHBondContact O-CG 3.47Å; E22-Q26 PolarHBondContact O-N 3.33Å; E22-Q26 PolarHBondContact OE1-NE2 3.22Å; E22-W36 HydrophobicContact CB-CH2 3.94Å; E22-W36 HydrophobicContact CB-CZ3 3.81Å; E22-W36 HydrophobicContact CG-CZ3 4.24Å |
| 23 | R | 94.1 | Very high | 92.2 | Very high | 117 Ų | 117 | 56.4 Ų | 56.4 | 44% | 0.442 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 177.6 | -74.8 | 176.8 | -177.2 | -176.1 | 2.7 | 112.1 | T19 L20 L27 P196 | T19-R23 WeakPolarHBondContact O-CB 3.16Å; T19-R23 VanDerWaalsContact O-CG 3.29Å; T19-R23 WeakPolarHBondContact O-CG 3.41Å; T19-R23 PolarHBondContact O-N 3.34Å; L20-R23 PolarHBondContact O-N 3.49Å; R23-L27 WeakPolarHBondContact O-CG 3.47Å; R23-L27 PolarHBondContact O-N 3.01Å; R23-P196 HydrophobicContact CB-CB 4.33Å; R23-P196 HydrophobicContact CB-CG 4.09Å |
| 24 | L | 94.6 | Very high | 92.3 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 177.4 | -73.4 | 171.5 | 0 | 0 | 0 | 112.4 | L20 C21 E22 Q26 L27 L109 I137 P196 L199 L200 | L20-L24 HydrophobicContact CD1-CD1 4.37Å; L20-L24 HydrophobicContact CD1-CG 4.36Å; L20-L24 HydrophobicContact CG-CD1 4.12Å; L20-L24 WeakPolarHBondContact O-CB 3.01Å; L20-L24 WeakPolarHBondContact O-CG 2.92Å; L20-L24 PolarHBondContact O-N 3.08Å; C21-L24 PolarHBondContact O-N 3.22Å; E22-L24 VanDerWaalsContact C-N 3.32Å; E22-L24 PolarHBondContact O-N 3.39Å; L24-Q26 VanDerWaalsContact C-N 3.35Å; L24-L27 HydrophobicContact CD2-CD1 4.38Å; L24-L27 PolarHBondContact O-N 2.86Å; L24-L109 HydrophobicContact CB-CD1 3.62Å; L24-L109 HydrophobicContact CD1-CD1 3.87Å; L24-L109 HydrophobicContact CD1-CD2 4.12Å; L24-L109 HydrophobicContact CG-CD1 4.43Å; L24-I137 HydrophobicContact CD1-CD1 4.34Å; L24-P196 HydrophobicContact CD2-CB 4.2Å; L24-P196 VanDerWaalsContact CD2-O 3.24Å; L24-P196 WeakPolarHBondContact CD2-O 3.43Å; L24-L199 HydrophobicContact CD1-CD2 3.92Å; L24-L199 HydrophobicContact CD1-CG 4.49Å; L24-L199 HydrophobicContact CD2-CB 4.31Å; L24-L199 HydrophobicContact CD2-CD2 4.19Å; L24-L199 HydrophobicContact CD2-CG 4.3Å; L24-L199 HydrophobicContact CG-CD2 4.47Å; L24-L200 HydrophobicContact CD2-CB 4.05Å |
| 25 | H | 95.1 | Very high | 92.4 | Very high | 83 Ų | 83 | 56.1 Ų | 56.1 | 38% | 0.384 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.8 | -33.8 | 179.9 | -179.9 | 57.1 | 0 | 0 | 0 | 112.4 | C21 E22 L27 V34 W36 | C21-H25 VanDerWaalsContact O-CB 3.22Å; C21-H25 WeakPolarHBondContact O-CB 3.43Å; C21-H25 PolarHBondContact O-N 2.92Å; E22-H25 PolarHBondContact O-N 2.77Å; H25-L27 VanDerWaalsContact C-N 3.3Å; H25-L27 PolarHBondContact O-N 2.99Å; H25-V34 PolarHBondContact CE1-O 3.04Å; H25-V34 PolarHBondContact ND1-O 3.16Å; H25-W36 HydrophobicContact CB-CB 4.08Å; H25-W36 HydrophobicContact CB-CE3 4.28Å |
| 26 | Q | 94.5 | Very high | 92.6 | Very high | 127 Ų | 127 | 58.6 Ų | 58.6 | 59% | 0.593 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -11.8 | 177.3 | -71.7 | 172.9 | -2.1 | 0 | 0 | 113.8 | E22 L24 E28 | E22-Q26 HydrophobicContact CG-CG 4.47Å; E22-Q26 VanDerWaalsContact CG-NE2 3.31Å; E22-Q26 WeakPolarHBondContact O-CB 3.31Å; E22-Q26 VanDerWaalsContact O-CG 3.3Å; E22-Q26 WeakPolarHBondContact O-CG 3.47Å; E22-Q26 PolarHBondContact O-N 3.33Å; E22-Q26 PolarHBondContact OE1-NE2 3.22Å; L24-Q26 VanDerWaalsContact C-N 3.35Å; Q26-E28 PolarHBondContact O-N 3.48Å |
| 27 | L | 92.6 | Very high | 92.8 | Very high | 49 Ų | 49 | 57.5 Ų | 57.5 | 26% | 0.257 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -70.1 | 117.2 | 175 | -72.1 | 173.7 | 0 | 0 | 0 | 109.8 | R23 L24 H25 T29 P196 V197 L200 | R23-L27 WeakPolarHBondContact O-CG 3.47Å; R23-L27 PolarHBondContact O-N 3.01Å; L24-L27 HydrophobicContact CD2-CD1 4.38Å; L24-L27 PolarHBondContact O-N 2.86Å; H25-L27 VanDerWaalsContact C-N 3.3Å; H25-L27 PolarHBondContact O-N 2.99Å; L27-T29 PolarHBondContact O-N 2.96Å; L27-P196 HydrophobicContact CD1-CB 3.93Å; L27-V197 HydrophobicContact CD1-CG2 4.22Å; L27-V197 HydrophobicContact CD2-CG2 3.98Å; L27-L200 HydrophobicContact CB-CD2 3.73Å; L27-L200 HydrophobicContact CD1-CB 4.16Å; L27-L200 HydrophobicContact CD1-CD2 3.62Å; L27-L200 HydrophobicContact CG-CD2 4.33Å |
| 28 | E | 82.1 | Confident | 92.9 | Very high | 192 Ų | 192 | 58.4 Ų | 58.4 | 90% | 0.897 | 29% | 0.292 | S | S | * | . | trans | -66.9 | 128.4 | 172.3 | -66.3 | -175.4 | 168.8 | 0 | 0 | 110.6 | Q26 | Q26-E28 PolarHBondContact O-N 3.48Š| ||
| 29 | T | 84.2 | Confident | 92.9 | Very high | 32 Ų | 32 | 56.9 Ų | 56.9 | 20% | 0.196 | 28% | 0.281 | C | S | . | . | trans | -130.5 | 127.2 | 176.8 | 48.7 | 0 | 0 | 0 | 0 | 110.6 | L27 D31 C32 L200 | L27-T29 PolarHBondContact O-N 2.96Å; T29-D31 VanDerWaalsContact C-N 3.3Å; T29-D31 PolarHBondContact O-N 2.76Å; T29-C32 PolarHBondContact OG1-O 3.25Å; T29-C32 PolarHBondContact OG1-SG 3.01Å; T29-L200 HydrophobicContact CG2-CD2 3.49Å; T29-L200 VanDerWaalsContact CG2-CD2 3.49Å; T29-L200 HydrophobicContact CG2-CG 4.37Å | ||
| 30 | N | 82.8 | Confident | 92.7 | Very high | 174 Ų | 174 | 57.2 Ų | 57.2 | 93% | 0.93 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -77.2 | -18.7 | -179.3 | -65.9 | -19.2 | 0 | 0 | 0 | 113.4 | ||
| 31 | D | 87.1 | Confident | 92.6 | Very high | 88 Ų | 88 | 62.3 Ų | 62.3 | 47% | 0.471 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -111.6 | -27.9 | -165.3 | 53.4 | -25.6 | 0 | 0 | 0 | 113.5 | T29 K204 | T29-D31 VanDerWaalsContact C-N 3.3Å; T29-D31 PolarHBondContact O-N 2.76Å; D31-K204 WeakPolarHBondContact OD1-CE 3.43Å; D31-K204 IonicContact OD1-NZ 2.62Å; D31-K204 PolarHBondContact OD1-NZ 2.97Å; D31-K204 WeakPolarHBondContact OD2-CE 3.37Å; D31-K204 IonicContact OD2-NZ 2.64Å; D31-K204 PolarHBondContact OD2-NZ 2.83Å |
| 32 | C | 93.1 | Very high | 92.5 | Very high | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.034 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 167.5 | 178.4 | 69.4 | 0 | 0 | 0 | 0 | 112.3 | T29 D105 K204 L207 | T29-C32 PolarHBondContact OG1-O 3.25Å; T29-C32 PolarHBondContact OG1-SG 3.01Å; C32-D105 CarbonylContact C-O 3.53Å; C32-D105 VanDerWaalsContact CA-O 3.26Å; C32-D105 WeakPolarHBondContact CA-O 3.43Å; C32-D105 HydrophobicContact CB-CB 3.8Å; C32-D105 WeakPolarHBondContact CB-O 3.46Å; C32-K204 WeakPolarHBondContact SG-CE 3.15Å; C32-L207 HydrophobicContact CB-CD1 4.42Å |
| 33 | S | 95.5 | Very high | 92.2 | Very high | 34 Ų | 34 | 59.1 Ų | 59.1 | 24% | 0.238 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.6 | 166.2 | -69.9 | 0 | 0 | 0 | 0 | 110.8 | A103 D105 V106 I107 | S33-A103 WeakPolarHBondContact OG-CB 3.36Å; S33-D105 PolarHBondContact N-O 3.09Å; S33-V106 CarbonylContact O-C 3.57Å; S33-V106 WeakPolarHBondContact O-CA 3.47Å; S33-I107 PolarHBondContact O-N 2.88Å |
| 34 | V | 96.8 | Very high | 91.6 | Very high | 14 Ų | 14 | 54.7 Ų | 54.7 | 9% | 0.085 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 109.7 | 172.7 | -174.4 | 0 | 0 | 0 | 0 | 108.7 | H25 I107 L109 L200 | H25-V34 PolarHBondContact CE1-O 3.04Å; H25-V34 PolarHBondContact ND1-O 3.16Å; V34-I107 CarbonylContact C-O 3.59Å; V34-I107 WeakPolarHBondContact CA-O 3.48Å; V34-L109 HydrophobicContact CG1-CD1 3.68Å; V34-L109 HydrophobicContact CG1-CG 4Å; V34-L200 HydrophobicContact CG2-CD1 3.65Å; V34-L200 HydrophobicContact CG2-CD2 4.49Å |
| 35 | L | 96.4 | Very high | 90.5 | Very high | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 126.3 | 175.4 | 173.2 | 58.5 | 0 | 0 | 0 | 109.7 | L37 L71 W75 Y98 V106 I107 V108 L109 | L35-L37 HydrophobicContact CD1-CD2 3.94Å; L35-L37 HydrophobicContact CD2-CD1 4.38Å; L35-L37 HydrophobicContact CD2-CD2 4.12Å; L35-L37 HydrophobicContact CD2-CG 4.23Å; L35-L37 HydrophobicContact CG-CD2 4.02Å; L35-L37 HydrophobicContact CG-CG 4.08Å; L35-L71 HydrophobicContact CD2-CD2 4.25Å; L35-W75 HydrophobicContact CD2-CH2 3.96Å; L35-Y98 HydrophobicContact CD1-CD1 3.67Å; L35-Y98 HydrophobicContact CD1-CD2 3.61Å; L35-Y98 HydrophobicContact CD1-CE1 3.4Å; L35-Y98 HydrophobicContact CD1-CE2 3.36Å; L35-Y98 HydrophobicContact CD1-CG 3.77Å; L35-Y98 HydrophobicContact CD2-CD2 4.03Å; L35-Y98 HydrophobicContact CD2-CG 4.05Å; L35-Y98 HydrophobicContact CG-CD2 4.5Å; L35-V106 HydrophobicContact CB-CG1 4.4Å; L35-I107 PolarHBondContact N-O 3.48Å; L35-V108 HydrophobicContact CB-CG2 4.44Å; L35-V108 HydrophobicContact CD2-CG1 4.23Å; L35-V108 HydrophobicContact CD2-CG2 4.22Å; L35-V108 HydrophobicContact CG-CG1 4.4Å; L35-V108 CarbonylContact O-C 3.6Å; L35-V108 WeakPolarHBondContact O-CA 3.46Å; L35-L109 PolarHBondContact O-N 3.37Å |
| 36 | W | 97.3 | Very high | 89 | Confident | 57 Ų | 57 | 61.9 Ų | 61.9 | 22% | 0.216 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.3 | 174.1 | 175.7 | 24.6 | 0 | 0 | 0 | 110.9 | C21 E22 H25 E38 | C21-W36 HydrophobicContact CB-CD2 3.97Å; C21-W36 HydrophobicContact CB-CG 4.02Å; C21-W36 HydrophobicContact CB-CZ2 4.16Å; E22-W36 HydrophobicContact CB-CH2 3.94Å; E22-W36 HydrophobicContact CB-CZ3 3.81Å; E22-W36 HydrophobicContact CG-CZ3 4.24Å; H25-W36 HydrophobicContact CB-CB 4.08Å; H25-W36 HydrophobicContact CB-CE3 4.28Å; W36-E38 HydrophobicContact CZ2-CB 4.24Å; W36-E38 HydrophobicContact CZ2-CG 4.42Å; W36-E38 WeakPolarHBondContact CZ2-OE2 3.27Å |
| 37 | L | 97.6 | Very high | 87.2 | Confident | 3 Ų | 3 | 61 Ų | 61 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 95.1 | 175.8 | -61.2 | -175.8 | 0 | 0 | 0 | 109.5 | L35 L42 L68 I95 Y98 V108 L109 L110 D111 | L35-L37 HydrophobicContact CD1-CD2 3.94Å; L35-L37 HydrophobicContact CD2-CD1 4.38Å; L35-L37 HydrophobicContact CD2-CD2 4.12Å; L35-L37 HydrophobicContact CD2-CG 4.23Å; L35-L37 HydrophobicContact CG-CD2 4.02Å; L35-L37 HydrophobicContact CG-CG 4.08Å; L37-L42 HydrophobicContact CB-CD1 4.01Å; L37-L42 HydrophobicContact CD2-CD1 4.34Å; L37-L68 HydrophobicContact CD1-CD1 4.15Å; L37-I95 HydrophobicContact CD2-CG2 3.95Å; L37-Y98 HydrophobicContact CD2-CE2 4.25Å; L37-V108 HydrophobicContact CD1-CG1 3.76Å; L37-V108 HydrophobicContact CG-CG1 4.13Å; L37-L109 PolarHBondContact N-O 3.5Å; L37-L110 HydrophobicContact CB-CD2 4.14Å; L37-L110 HydrophobicContact CD1-CD2 3.94Å; L37-D111 PolarHBondContact O-N 3.23Å |
| 38 | E | 95.8 | Very high | 85.3 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 17% | 0.168 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 115 | 174.1 | -170.1 | -175.9 | 160.7 | 0 | 0 | 110.7 | W36 D40 Q41 L42 | W36-E38 HydrophobicContact CZ2-CB 4.24Å; W36-E38 HydrophobicContact CZ2-CG 4.42Å; W36-E38 WeakPolarHBondContact CZ2-OE2 3.27Å; E38-D40 VanDerWaalsContact C-N 3.28Å; E38-D40 HydrophobicContact CG-CB 4.39Å; E38-D40 PolarHBondContact O-N 3.08Å; E38-Q41 HydrophobicContact CB-CB 4.25Å; E38-Q41 HydrophobicContact CB-CG 4.05Å; E38-Q41 VanDerWaalsContact CD-CG 3.41Å; E38-Q41 HydrophobicContact CG-CG 4.02Å; E38-Q41 PolarHBondContact O-N 3.44Å; E38-Q41 WeakPolarHBondContact OE2-CG 3.37Å; E38-L42 VanDerWaalsContact O-CG 3.3Å; E38-L42 WeakPolarHBondContact O-CG 3.49Å; E38-L42 PolarHBondContact O-N 2.87Å |
| 39 | Y | 94 | Very high | 83.8 | Confident | 4 Ų | 4 | 57.1 Ų | 57.1 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61 | -38.6 | -177.1 | -84.1 | -120.1 | 0 | 0 | 0 | 112 | Q41 L42 V43 R61 V64 L110 D111 D112 F114 | Y39-Q41 VanDerWaalsContact C-N 3.28Å; Y39-Q41 PolarHBondContact O-N 2.66Å; Y39-L42 PolarHBondContact O-N 3.18Å; Y39-V43 WeakPolarHBondContact O-CG2 3.46Å; Y39-V43 PolarHBondContact O-N 2.92Å; Y39-R61 HydrophobicContact CD1-CG 3.9Å; Y39-R61 HydrophobicContact CE1-CB 4.23Å; Y39-R61 HydrophobicContact CE1-CG 3.96Å; Y39-V64 HydrophobicContact CD1-CB 4.31Å; Y39-V64 HydrophobicContact CD1-CG1 4.38Å; Y39-V64 HydrophobicContact CD1-CG2 4.09Å; Y39-V64 HydrophobicContact CD2-CG1 4.48Å; Y39-V64 HydrophobicContact CE1-CB 3.78Å; Y39-V64 HydrophobicContact CE1-CG1 3.84Å; Y39-V64 HydrophobicContact CE1-CG2 4.08Å; Y39-V64 HydrophobicContact CE2-CG1 3.94Å; Y39-L110 HydrophobicContact CE2-CB 4.2Å; Y39-L110 HydrophobicContact CE2-CD2 4.17Å; Y39-D111 WeakPolarHBondContact CD2-O 3.44Å; Y39-D111 PolarHBondContact N-O 3.13Å; Y39-D112 HydrophobicContact CD1-CB 4.27Å; Y39-D112 HydrophobicContact CD2-CB 3.87Å; Y39-D112 HydrophobicContact CE2-CB 4.34Å; Y39-D112 HydrophobicContact CG-CB 3.82Å; Y39-F114 HydrophobicContact CE2-CZ 4.05Å |
| 40 | D | 89.9 | Confident | 82 | Confident | 75 Ų | 75 | 62 Ų | 62 | 40% | 0.401 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -64 | -30.2 | 179.9 | -70.5 | -7.8 | 0 | 0 | 0 | 112.4 | E38 R153 | E38-D40 VanDerWaalsContact C-N 3.28Å; E38-D40 HydrophobicContact CG-CB 4.39Å; E38-D40 PolarHBondContact O-N 3.08Å; D40-R153 IonicContact OD2-NH2 3.95Å |
| 41 | Q | 91.2 | Very high | 80.2 | Confident | 128 Ų | 128 | 63.2 Ų | 63.2 | 60% | 0.598 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -84.5 | -35.6 | 175 | -62.4 | -64.4 | -23.9 | 0 | 0 | 112.3 | E38 Y39 V43 R94 | E38-Q41 HydrophobicContact CB-CB 4.25Å; E38-Q41 HydrophobicContact CB-CG 4.05Å; E38-Q41 VanDerWaalsContact CD-CG 3.41Å; E38-Q41 HydrophobicContact CG-CG 4.02Å; E38-Q41 PolarHBondContact O-N 3.44Å; E38-Q41 WeakPolarHBondContact OE2-CG 3.37Å; Y39-Q41 VanDerWaalsContact C-N 3.28Å; Y39-Q41 PolarHBondContact O-N 2.66Å; Q41-V43 VanDerWaalsContact C-N 3.3Å; Q41-V43 PolarHBondContact O-N 2.67Å; Q41-R94 PolarHBondContact O-NH1 2.76Å |
| 42 | L | 92.7 | Very high | 78.3 | Confident | 15 Ų | 15 | 60.8 Ų | 60.8 | 8% | 0.079 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -70.2 | -27.1 | 179.4 | -70.6 | 179.9 | 0 | 0 | 0 | 112.5 | L37 E38 Y39 V64 I91 R94 I95 | L37-L42 HydrophobicContact CB-CD1 4.01Å; L37-L42 HydrophobicContact CD2-CD1 4.34Å; E38-L42 VanDerWaalsContact O-CG 3.3Å; E38-L42 WeakPolarHBondContact O-CG 3.49Å; E38-L42 PolarHBondContact O-N 2.87Å; Y39-L42 PolarHBondContact O-N 3.18Å; L42-V64 HydrophobicContact CB-CG2 4.48Å; L42-V64 HydrophobicContact CD1-CG1 4.1Å; L42-I91 HydrophobicContact CB-CD1 4.23Å; L42-I91 WeakPolarHBondContact O-CD1 3.37Å; L42-R94 HydrophobicContact CD2-CB 3.86Å; L42-R94 PolarHBondContact O-NH1 2.83Å; L42-I95 HydrophobicContact CD1-CG2 4.22Å; L42-I95 HydrophobicContact CD2-CG2 3.56Å |
| 43 | V | 89.2 | Confident | 76.4 | Confident | 3 Ų | 3 | 66.2 Ų | 66.2 | 2% | 0.018 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -98 | 125.2 | 177.4 | -177.4 | 0 | 0 | 0 | 0 | 110.4 | Y39 Q41 A45 W57 W60 | Y39-V43 WeakPolarHBondContact O-CG2 3.46Å; Y39-V43 PolarHBondContact O-N 2.92Å; Q41-V43 VanDerWaalsContact C-N 3.3Å; Q41-V43 PolarHBondContact O-N 2.67Å; V43-A45 PolarHBondContact O-N 3.15Å; V43-W57 HydrophobicContact CB-CH2 3.89Å; V43-W57 HydrophobicContact CB-CZ3 3.6Å; V43-W57 HydrophobicContact CG1-CE3 4.04Å; V43-W57 HydrophobicContact CG1-CH2 4.25Å; V43-W57 HydrophobicContact CG1-CZ3 3.44Å; V43-W57 VanDerWaalsContact CG1-CZ3 3.44Å; V43-W57 HydrophobicContact CG2-CH2 4.02Å; V43-W57 HydrophobicContact CG2-CZ3 3.96Å; V43-W60 HydrophobicContact CG1-CB 3.86Å; V43-W60 HydrophobicContact CG1-CD2 3.66Å; V43-W60 HydrophobicContact CG1-CE3 4.13Å; V43-W60 HydrophobicContact CG1-CG 3.54Å; V43-W60 HydrophobicContact CG2-CB 3.8Å; V43-W60 HydrophobicContact CG2-CD2 4.47Å; V43-W60 HydrophobicContact CG2-CE3 4.36Å; V43-W60 HydrophobicContact CG2-CG 4.28Å |
| 44 | P | 81.4 | Confident | 74.9 | Confident | 24 Ų | 24 | 72 Ų | 72 | 16% | 0.156 | 38% | 0.382 | C | S | . | . | trans | -61.8 | 119.3 | -178.9 | -22.1 | 31.7 | 0 | 0 | 0 | 113.3 | Q46 M47 W60 V90 | P44-Q46 VanDerWaalsContact C-N 3.26Å; P44-Q46 PolarHBondContact O-N 3.32Å; P44-M47 HydrophobicContact CB-CG 4.1Å; P44-M47 PolarHBondContact O-N 3.42Å; P44-W60 HydrophobicContact CG-CH2 4.19Å; P44-V90 HydrophobicContact CG-CG1 3.72Å | ||
| 45 | A | 70.8 | Confident | 73.4 | Confident | 75 Ų | 75 | 74.8 Ų | 74.8 | 62% | 0.62 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -58.7 | -34.5 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V43 M47 L48 | V43-A45 PolarHBondContact O-N 3.15Å; A45-M47 VanDerWaalsContact C-N 3.25Å; A45-M47 PolarHBondContact O-N 3.19Å; A45-L48 WeakPolarHBondContact O-CB 3.4Å; A45-L48 PolarHBondContact O-N 2.88Å |
| 46 | Q | 63.1 | Low | 72.6 | Confident | 159 Ų | 159 | 77.7 Ų | 77.7 | 74% | 0.743 | 42% | 0.418 | S | S | * | . | G | 310 helix | trans | -64.2 | -29.1 | -178.9 | -66.4 | 172.9 | 4.8 | 0 | 0 | 112.7 | P44 L48 S49 | P44-Q46 VanDerWaalsContact C-N 3.26Å; P44-Q46 PolarHBondContact O-N 3.32Å; Q46-L48 PolarHBondContact O-N 3.17Å; Q46-S49 PolarHBondContact O-OG 3.4Å |
| 47 | M | 56.8 | Low | 72 | Confident | 108 Ų | 108 | 77.3 Ų | 77.3 | 53% | 0.532 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -74.9 | -12.3 | 176.8 | -66.1 | -68.6 | 108.9 | 0 | 0 | 113 | P44 A45 W60 | P44-M47 HydrophobicContact CB-CG 4.1Å; P44-M47 PolarHBondContact O-N 3.42Å; A45-M47 VanDerWaalsContact C-N 3.25Å; A45-M47 PolarHBondContact O-N 3.19Å; M47-W60 HydrophobicContact CG-CZ2 4.44Å |
| 48 | L | 53.6 | Low | 71.5 | Confident | 63 Ų | 63 | 83.5 Ų | 83.5 | 33% | 0.33 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -91 | -20 | -179.7 | -56.2 | 167.8 | 0 | 0 | 0 | 112.6 | A45 Q46 L50 W57 | A45-L48 WeakPolarHBondContact O-CB 3.4Å; A45-L48 PolarHBondContact O-N 2.88Å; Q46-L48 PolarHBondContact O-N 3.17Å; L48-L50 PolarHBondContact O-N 3.01Å; L48-W57 HydrophobicContact CD1-CE3 4.34Å; L48-W57 HydrophobicContact CD1-CZ3 3.83Å; L48-W57 HydrophobicContact CD2-CE3 3.72Å; L48-W57 HydrophobicContact CD2-CZ3 4Å |
| 49 | S | 51 | Low | 71.2 | Confident | 97 Ų | 97 | 83.1 Ų | 83.1 | 68% | 0.678 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -22.7 | -178.4 | 68.2 | 0 | 0 | 0 | 0 | 113.7 | Q46 K51 | Q46-S49 PolarHBondContact O-OG 3.4Å; S49-K51 PolarHBondContact O-N 3.35Å; S49-K51 VanDerWaalsContact O-N 3.09Å |
| 50 | L | 45.7 | Very low | 71.2 | Confident | 135 Ų | 135 | 83.9 Ų | 83.9 | 71% | 0.707 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 71.7 | 178.9 | -69.4 | 167.9 | 0 | 0 | 0 | 110.8 | L48 A52 | L48-L50 PolarHBondContact O-N 3.01Å; L50-A52 PolarHBondContact O-N 2.91Å |
| 51 | K | 45.2 | Very low | 71.3 | Confident | 200 Ų | 200 | 81.8 Ų | 81.8 | 87% | 0.87 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 40.8 | 41.9 | 169.6 | -67 | -176.7 | 175.8 | 178.8 | 0 | 113.8 | S49 N53 | S49-K51 PolarHBondContact O-N 3.35Å; S49-K51 VanDerWaalsContact O-N 3.09Å; K51-N53 PolarHBondContact O-N 3.47Å; K51-N53 VanDerWaalsContact O-N 3.15Å |
| 52 | A | 47.2 | Very low | 71.4 | Confident | 36 Ų | 36 | 81.4 Ų | 81.4 | 30% | 0.298 | 43% | 0.434 | S | S | . | . | trans | -66.8 | 117.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | L50 D56 | L50-A52 PolarHBondContact O-N 2.91Å; A52-D56 HydrophobicContact CB-CB 4.28Å | ||
| 53 | N | 54 | Low | 71.5 | Confident | 119 Ų | 119 | 80.8 Ų | 80.8 | 64% | 0.636 | 43% | 0.431 | S | S | * | . | trans | -67.3 | 158.4 | 171.5 | -73.4 | -31.8 | 0 | 0 | 0 | 109.1 | K51 S55 D56 | K51-N53 PolarHBondContact O-N 3.47Å; K51-N53 VanDerWaalsContact O-N 3.15Å; N53-S55 PolarHBondContact O-N 3.33Å; N53-D56 PolarHBondContact O-N 3.25Å | ||
| 54 | N | 62.7 | Low | 71.9 | Confident | 157 Ų | 157 | 80.7 Ų | 80.7 | 84% | 0.84 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -50.4 | -21.1 | 175.1 | -74 | -26 | 0 | 0 | 0 | 114.3 | D56 K58 | N54-D56 VanDerWaalsContact C-N 3.35Å; N54-K58 PolarHBondContact O-N 3.45Å |
| 55 | S | 65.4 | Low | 72.6 | Confident | 72 Ų | 72 | 80.7 Ų | 80.7 | 50% | 0.503 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -63 | -34.6 | 175.6 | 51.2 | 0 | 0 | 0 | 0 | 113.7 | N53 K58 A59 | N53-S55 PolarHBondContact O-N 3.33Å; S55-K58 WeakPolarHBondContact O-CB 3.4Å; S55-K58 PolarHBondContact O-N 2.96Å; S55-A59 PolarHBondContact O-N 3.36Å |
| 56 | D | 80.3 | Confident | 73.7 | Confident | 65 Ų | 65 | 77.6 Ų | 77.6 | 35% | 0.348 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -74.2 | -41.8 | -174.2 | -66.9 | -32.8 | 0 | 0 | 0 | 111.5 | A52 N53 N54 K58 A59 W60 | A52-D56 HydrophobicContact CB-CB 4.28Å; N53-D56 PolarHBondContact O-N 3.25Å; N54-D56 VanDerWaalsContact C-N 3.35Å; D56-K58 PolarHBondContact O-N 2.99Å; D56-A59 WeakPolarHBondContact O-CB 3.23Å; D56-A59 PolarHBondContact O-N 3.24Å; D56-A59 VanDerWaalsContact O-N 3.1Å; D56-W60 VanDerWaalsContact O-CD1 3.25Å; D56-W60 PolarHBondContact O-N 3.15Å |
| 57 | W | 84 | Confident | 75.3 | Confident | 49 Ų | 49 | 70 Ų | 70 | 19% | 0.186 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.2 | -35.6 | 175.6 | -167.3 | -113.8 | 0 | 0 | 0 | 111.9 | V43 L48 W60 R61 | V43-W57 HydrophobicContact CB-CH2 3.89Å; V43-W57 HydrophobicContact CB-CZ3 3.6Å; V43-W57 HydrophobicContact CG1-CE3 4.04Å; V43-W57 HydrophobicContact CG1-CH2 4.25Å; V43-W57 HydrophobicContact CG1-CZ3 3.44Å; V43-W57 VanDerWaalsContact CG1-CZ3 3.44Å; V43-W57 HydrophobicContact CG2-CH2 4.02Å; V43-W57 HydrophobicContact CG2-CZ3 3.96Å; L48-W57 HydrophobicContact CD1-CE3 4.34Å; L48-W57 HydrophobicContact CD1-CZ3 3.83Å; L48-W57 HydrophobicContact CD2-CE3 3.72Å; L48-W57 HydrophobicContact CD2-CZ3 4Å; W57-W60 PolarHBondContact O-N 3.42Å; W57-R61 VanDerWaalsContact CD1-NH1 3.31Å; W57-R61 VanDerWaalsContact NE1-NH2 3.16Å; W57-R61 WeakPolarHBondContact O-CB 3.39Å; W57-R61 WeakPolarHBondContact O-CG 3.19Å; W57-R61 PolarHBondContact O-N 3.37Å |
| 58 | K | 87.1 | Confident | 77.3 | Confident | 134 Ų | 134 | 64.9 Ų | 64.9 | 58% | 0.583 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -60.6 | -45.4 | 172.7 | -174.9 | -177.3 | 178.3 | -177.5 | 0 | 111.5 | N54 S55 D56 R61 Q62 | N54-K58 PolarHBondContact O-N 3.45Å; S55-K58 WeakPolarHBondContact O-CB 3.4Å; S55-K58 PolarHBondContact O-N 2.96Å; D56-K58 PolarHBondContact O-N 2.99Å; K58-R61 PolarHBondContact O-N 2.81Å; K58-Q62 WeakPolarHBondContact O-CG 3.4Å; K58-Q62 PolarHBondContact O-N 3.5Å |
| 59 | A | 90.8 | Very high | 79.3 | Confident | 27 Ų | 27 | 64.2 Ų | 64.2 | 22% | 0.223 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.2 | -39.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | S55 D56 Q62 A63 K87 | S55-A59 PolarHBondContact O-N 3.36Å; D56-A59 WeakPolarHBondContact O-CB 3.23Å; D56-A59 PolarHBondContact O-N 3.24Å; D56-A59 VanDerWaalsContact O-N 3.1Å; A59-Q62 PolarHBondContact O-N 2.94Å; A59-A63 PolarHBondContact O-N 3.42Å; A59-K87 HydrophobicContact CB-CD 3.98Å |
| 60 | W | 92.9 | Very high | 81.4 | Confident | 21 Ų | 21 | 60.9 Ų | 60.9 | 8% | 0.08 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65 | -44.7 | 174.5 | -80.7 | 112.7 | 0 | 0 | 0 | 112.8 | V43 P44 M47 D56 W57 Q62 A63 V64 K87 V90 I91 | V43-W60 HydrophobicContact CG1-CB 3.86Å; V43-W60 HydrophobicContact CG1-CD2 3.66Å; V43-W60 HydrophobicContact CG1-CE3 4.13Å; V43-W60 HydrophobicContact CG1-CG 3.54Å; V43-W60 HydrophobicContact CG2-CB 3.8Å; V43-W60 HydrophobicContact CG2-CD2 4.47Å; V43-W60 HydrophobicContact CG2-CE3 4.36Å; V43-W60 HydrophobicContact CG2-CG 4.28Å; P44-W60 HydrophobicContact CG-CH2 4.19Å; M47-W60 HydrophobicContact CG-CZ2 4.44Å; D56-W60 VanDerWaalsContact O-CD1 3.25Å; D56-W60 PolarHBondContact O-N 3.15Å; W57-W60 PolarHBondContact O-N 3.42Å; W60-Q62 VanDerWaalsContact C-N 3.28Å; W60-Q62 PolarHBondContact O-N 2.89Å; W60-A63 WeakPolarHBondContact O-CA 3.36Å; W60-A63 WeakPolarHBondContact O-CB 3.26Å; W60-A63 PolarHBondContact O-N 2.88Å; W60-V64 PolarHBondContact O-N 2.62Å; W60-K87 HydrophobicContact CD2-CB 4.25Å; W60-K87 HydrophobicContact CD2-CD 3.72Å; W60-K87 HydrophobicContact CD2-CG 4.01Å; W60-K87 HydrophobicContact CE3-CB 3.77Å; W60-K87 HydrophobicContact CE3-CD 4.12Å; W60-K87 HydrophobicContact CE3-CG 4.03Å; W60-K87 HydrophobicContact CG-CD 3.98Å; W60-K87 HydrophobicContact CH2-CB 4.02Å; W60-K87 HydrophobicContact CH2-CG 3.92Å; W60-K87 HydrophobicContact CZ2-CB 4.47Å; W60-K87 HydrophobicContact CZ2-CD 4.3Å; W60-K87 HydrophobicContact CZ2-CG 3.89Å; W60-K87 HydrophobicContact CZ3-CB 3.65Å; W60-K87 HydrophobicContact CZ3-CG 3.99Å; W60-K87 WeakPolarHBondContact CZ3-O 3.3Å; W60-V90 HydrophobicContact CH2-CB 4.13Å; W60-V90 HydrophobicContact CH2-CG1 4.31Å; W60-V90 HydrophobicContact CH2-CG2 4.27Å; W60-V90 HydrophobicContact CZ3-CB 4.12Å; W60-V90 HydrophobicContact CZ3-CG1 4.35Å; W60-I91 HydrophobicContact CE3-CD1 3.91Å; W60-I91 HydrophobicContact CE3-CG1 4.33Å; W60-I91 HydrophobicContact CZ3-CD1 3.9Å; W60-I91 HydrophobicContact CZ3-CG1 4.29Å |
| 61 | R | 92.9 | Very high | 83.8 | Confident | 31 Ų | 31 | 54.4 Ų | 54.4 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -57.1 | -42 | 172.5 | -77.3 | 174 | 162.4 | 157.3 | -2.7 | 112.2 | Y39 W57 K58 A63 V64 V65 D112 N113 | Y39-R61 HydrophobicContact CD1-CG 3.9Å; Y39-R61 HydrophobicContact CE1-CB 4.23Å; Y39-R61 HydrophobicContact CE1-CG 3.96Å; W57-R61 VanDerWaalsContact CD1-NH1 3.31Å; W57-R61 VanDerWaalsContact NE1-NH2 3.16Å; W57-R61 WeakPolarHBondContact O-CB 3.39Å; W57-R61 WeakPolarHBondContact O-CG 3.19Å; W57-R61 PolarHBondContact O-N 3.37Å; K58-R61 PolarHBondContact O-N 2.81Å; R61-A63 VanDerWaalsContact C-N 3.33Å; R61-V64 PolarHBondContact O-N 2.84Å; R61-V65 WeakPolarHBondContact O-CG2 3.49Å; R61-V65 PolarHBondContact O-N 3.29Å; R61-V65 VanDerWaalsContact O-N 3.08Å; R61-D112 IonicContact CZ-OD1 2.96Å; R61-D112 IonicContact CZ-OD2 2.65Å; R61-D112 IonicContact NE-OD1 3.62Å; R61-D112 IonicContact NE-OD2 2.75Å; R61-D112 PolarHBondContact NE-OD2 2.89Å; R61-D112 VanDerWaalsContact NH2-CG 3.26Å; R61-D112 IonicContact NH2-OD1 3.21Å; R61-D112 PolarHBondContact NH2-OD1 3.49Å; R61-D112 IonicContact NH2-OD2 3.69Å; R61-D112 PolarHBondContact NH2-OD2 2.61Å; R61-N113 VanDerWaalsContact NH2-CG 3.32Å; R61-N113 PolarHBondContact NH2-ND2 3.35Å; R61-N113 VanDerWaalsContact NH2-ND2 3.17Å; R61-N113 PolarHBondContact NH2-OD1 3.41Å |
| 62 | Q | 93.6 | Very high | 86.2 | Confident | 120 Ų | 120 | 44.9 Ų | 44.9 | 56% | 0.561 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -63.1 | -39.1 | 175 | -74.4 | 175.9 | -33.2 | 0 | 0 | 111.9 | K58 A59 W60 V64 V65 G66 | K58-Q62 WeakPolarHBondContact O-CG 3.4Å; K58-Q62 PolarHBondContact O-N 3.5Å; A59-Q62 PolarHBondContact O-N 2.94Å; W60-Q62 VanDerWaalsContact C-N 3.28Å; W60-Q62 PolarHBondContact O-N 2.89Å; Q62-V64 VanDerWaalsContact C-N 3.35Å; Q62-V64 PolarHBondContact O-N 3.38Å; Q62-V65 PolarHBondContact O-N 3.18Å; Q62-G66 PolarHBondContact O-N 2.76Å |
| 63 | A | 94.8 | Very high | 88.4 | Confident | 2 Ų | 2 | 43.4 Ų | 43.4 | 2% | 0.017 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -63.5 | -38.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | A59 W60 R61 G66 C67 K87 E88 I91 | A59-A63 PolarHBondContact O-N 3.42Å; W60-A63 WeakPolarHBondContact O-CA 3.36Å; W60-A63 WeakPolarHBondContact O-CB 3.26Å; W60-A63 PolarHBondContact O-N 2.88Å; R61-A63 VanDerWaalsContact C-N 3.33Å; A63-G66 PolarHBondContact O-N 2.85Å; A63-C67 WeakPolarHBondContact O-CB 3.47Å; A63-C67 PolarHBondContact O-N 2.86Å; A63-C67 PolarHBondContact O-SG 3.34Å; A63-K87 HydrophobicContact CB-CB 3.67Å; A63-E88 HydrophobicContact CB-CG 3.87Å; A63-I91 HydrophobicContact CB-CG1 4.16Å |
| 64 | V | 96.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.5 | -47.9 | 172.8 | -179.7 | 0 | 0 | 0 | 0 | 111.1 | Y39 L42 W60 R61 Q62 G66 C67 L68 I91 | Y39-V64 HydrophobicContact CD1-CB 4.31Å; Y39-V64 HydrophobicContact CD1-CG1 4.38Å; Y39-V64 HydrophobicContact CD1-CG2 4.09Å; Y39-V64 HydrophobicContact CD2-CG1 4.48Å; Y39-V64 HydrophobicContact CE1-CB 3.78Å; Y39-V64 HydrophobicContact CE1-CG1 3.84Å; Y39-V64 HydrophobicContact CE1-CG2 4.08Å; Y39-V64 HydrophobicContact CE2-CG1 3.94Å; L42-V64 HydrophobicContact CB-CG2 4.48Å; L42-V64 HydrophobicContact CD1-CG1 4.1Å; W60-V64 PolarHBondContact O-N 2.62Å; R61-V64 PolarHBondContact O-N 2.84Å; Q62-V64 VanDerWaalsContact C-N 3.35Å; Q62-V64 PolarHBondContact O-N 3.38Å; V64-G66 PolarHBondContact O-N 3.24Å; V64-C67 PolarHBondContact O-N 3.06Å; V64-L68 WeakPolarHBondContact O-CB 3.37Å; V64-L68 PolarHBondContact O-N 3.17Å; V64-I91 HydrophobicContact CG2-CD1 4.1Å; V64-I91 HydrophobicContact CG2-CG1 4.16Å; V64-I91 HydrophobicContact CG2-CG2 4.29Å |
| 65 | V | 96.1 | Very high | 91.9 | Very high | 24 Ų | 24 | 33.8 Ų | 33.8 | 15% | 0.145 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.9 | -42.9 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | R61 Q62 C67 L68 E69 I123 L126 | R61-V65 WeakPolarHBondContact O-CG2 3.49Å; R61-V65 PolarHBondContact O-N 3.29Å; R61-V65 VanDerWaalsContact O-N 3.08Å; Q62-V65 PolarHBondContact O-N 3.18Å; V65-C67 VanDerWaalsContact C-N 3.31Å; V65-C67 PolarHBondContact O-N 3.47Å; V65-L68 PolarHBondContact O-N 3.32Å; V65-E69 WeakPolarHBondContact O-CB 3.3Å; V65-E69 PolarHBondContact O-N 2.85Å; V65-I123 HydrophobicContact CG2-CD1 3.74Å; V65-L126 HydrophobicContact CG1-CD2 4.08Å |
| 66 | G | 95.3 | Very high | 93.2 | Very high | 10 Ų | 10 | 31.4 Ų | 31.4 | 10% | 0.103 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.7 | -30.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q62 A63 V64 K70 | Q62-G66 PolarHBondContact O-N 2.76Å; A63-G66 PolarHBondContact O-N 2.85Å; V64-G66 PolarHBondContact O-N 3.24Å; G66-K70 VanDerWaalsContact O-CG 3.32Å; G66-K70 WeakPolarHBondContact O-CG 3.43Å; G66-K70 PolarHBondContact O-N 3.18Å; G66-K70 PolarHBondContact O-NZ 3.46Å |
| 67 | C | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -78.8 | -39.7 | 173.1 | -66 | 0 | 0 | 0 | 0 | 112 | A63 V64 V65 E69 K70 L71 E88 I91 W92 I95 | A63-C67 WeakPolarHBondContact O-CB 3.47Å; A63-C67 PolarHBondContact O-N 2.86Å; A63-C67 PolarHBondContact O-SG 3.34Å; V64-C67 PolarHBondContact O-N 3.06Å; V65-C67 VanDerWaalsContact C-N 3.31Å; V65-C67 PolarHBondContact O-N 3.47Å; C67-E69 VanDerWaalsContact C-N 3.25Å; C67-E69 PolarHBondContact O-N 2.98Å; C67-K70 PolarHBondContact O-N 3.27Å; C67-L71 PolarHBondContact O-N 3Å; C67-E88 PolarHBondContact SG-O 3.3Å; C67-I91 HydrophobicContact CB-CB 4.3Å; C67-I91 HydrophobicContact CB-CG2 3.77Å; C67-W92 HydrophobicContact CB-CE3 4.15Å; C67-I95 HydrophobicContact CB-CD1 3.54Å; C67-I95 HydrophobicContact CB-CG1 4.34Å |
| 68 | L | 96.9 | Very high | 94.1 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.1 | -40.2 | 172.6 | 179.7 | 61 | 0 | 0 | 0 | 111.1 | L6 L37 V64 V65 K70 L71 L72 V108 L110 L126 | L6-L68 HydrophobicContact CD1-CD2 4.27Å; L6-L68 HydrophobicContact CD2-CD1 4.3Å; L6-L68 HydrophobicContact CD2-CD2 4.24Å; L37-L68 HydrophobicContact CD1-CD1 4.15Å; V64-L68 WeakPolarHBondContact O-CB 3.37Å; V64-L68 PolarHBondContact O-N 3.17Å; V65-L68 PolarHBondContact O-N 3.32Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-K70 PolarHBondContact O-N 2.95Å; L68-L71 WeakPolarHBondContact O-CB 3.13Å; L68-L71 PolarHBondContact O-N 2.88Å; L68-L72 HydrophobicContact CD1-CG 4.46Å; L68-L72 HydrophobicContact CG-CD1 4.21Å; L68-L72 VanDerWaalsContact O-CG 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 2.84Å; L68-V108 HydrophobicContact CD1-CG1 4.27Å; L68-L110 HydrophobicContact CD2-CD1 4.11Å; L68-L110 HydrophobicContact CD2-CD2 3.86Å; L68-L126 HydrophobicContact CB-CD2 4.2Å; L68-L126 HydrophobicContact CD2-CD2 3.86Å; L68-L126 HydrophobicContact CG-CD2 3.87Å |
| 69 | E | 96.1 | Very high | 94.1 | Very high | 50 Ų | 50 | 38 Ų | 38 | 23% | 0.234 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57.6 | -44.9 | 173.9 | 172.9 | 161.9 | -140.1 | 0 | 0 | 112.9 | V65 C67 L71 L72 A73 L126 K129 Y130 | V65-E69 WeakPolarHBondContact O-CB 3.3Å; V65-E69 PolarHBondContact O-N 2.85Å; C67-E69 VanDerWaalsContact C-N 3.25Å; C67-E69 PolarHBondContact O-N 2.98Å; E69-L71 VanDerWaalsContact C-N 3.35Å; E69-L72 PolarHBondContact O-N 3.35Å; E69-A73 WeakPolarHBondContact O-CB 3.5Å; E69-A73 PolarHBondContact O-N 2.94Å; E69-L126 HydrophobicContact CB-CD1 3.62Å; E69-L126 HydrophobicContact CB-CD2 4.29Å; E69-L126 HydrophobicContact CG-CD1 3.87Å; E69-K129 WeakPolarHBondContact OE1-CD 3.36Å; E69-K129 WeakPolarHBondContact OE1-CE 3.4Å; E69-K129 IonicContact OE1-NZ 2.76Å; E69-K129 PolarHBondContact OE1-NZ 2.66Å; E69-Y130 HydrophobicContact CG-CE2 3.76Å; E69-Y130 WeakPolarHBondContact CG-OH 3.23Å |
| 70 | K | 95.4 | Very high | 93.6 | Very high | 26 Ų | 26 | 38.1 Ų | 38.1 | 11% | 0.113 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65 | -40.7 | 177.3 | -66.6 | 174.1 | -178.8 | 72.2 | 0 | 111.3 | G66 C67 L68 A73 L74 I80 L84 E88 W92 | G66-K70 VanDerWaalsContact O-CG 3.32Å; G66-K70 WeakPolarHBondContact O-CG 3.43Å; G66-K70 PolarHBondContact O-N 3.18Å; G66-K70 PolarHBondContact O-NZ 3.46Å; C67-K70 PolarHBondContact O-N 3.27Å; L68-K70 VanDerWaalsContact C-N 3.35Å; L68-K70 PolarHBondContact O-N 2.95Å; K70-A73 WeakPolarHBondContact O-CB 3.44Å; K70-A73 PolarHBondContact O-N 3.09Å; K70-L74 PolarHBondContact O-N 3.32Å; K70-L74 VanDerWaalsContact O-N 3.09Å; K70-I80 HydrophobicContact CB-CD1 3.92Å; K70-I80 HydrophobicContact CB-CG2 4.06Å; K70-I80 HydrophobicContact CD-CG2 4.06Å; K70-I80 HydrophobicContact CG-CG2 3.75Å; K70-I80 WeakPolarHBondContact O-CD1 3.47Å; K70-L84 HydrophobicContact CD-CD2 3.4Å; K70-L84 VanDerWaalsContact CD-CD2 3.4Å; K70-L84 HydrophobicContact CD-CG 4.49Å; K70-E88 IonicContact NZ-OE1 3.87Å; K70-E88 PolarHBondContact NZ-OE1 3.28Å; K70-E88 IonicContact NZ-OE2 2.79Å; K70-W92 HydrophobicContact CB-CE3 4.33Å; K70-W92 HydrophobicContact CB-CH2 4Å; K70-W92 HydrophobicContact CB-CZ3 3.66Å |
| 71 | L | 95.6 | Very high | 92.8 | Very high | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -61.6 | -45.2 | 175.4 | -174 | 62 | 0 | 0 | 0 | 111.7 | L35 C67 L68 E69 A73 L74 W75 W92 | L35-L71 HydrophobicContact CD2-CD2 4.25Å; C67-L71 PolarHBondContact O-N 3Å; L68-L71 WeakPolarHBondContact O-CB 3.13Å; L68-L71 PolarHBondContact O-N 2.88Å; E69-L71 VanDerWaalsContact C-N 3.35Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 3.42Å; L71-L74 PolarHBondContact O-N 3.48Å; L71-W75 HydrophobicContact CD1-CD2 4.36Å; L71-W75 HydrophobicContact CD1-CH2 4.37Å; L71-W75 HydrophobicContact CD1-CZ2 3.67Å; L71-W75 HydrophobicContact CD2-CH2 3.43Å; L71-W75 VanDerWaalsContact CD2-CH2 3.43Å; L71-W75 HydrophobicContact CD2-CZ2 3.53Å; L71-W75 HydrophobicContact CD2-CZ3 4.07Å; L71-W75 HydrophobicContact CG-CD2 4.05Å; L71-W75 HydrophobicContact CG-CE3 4.22Å; L71-W75 HydrophobicContact CG-CH2 3.69Å; L71-W75 HydrophobicContact CG-CZ2 3.51Å; L71-W75 HydrophobicContact CG-CZ3 4.04Å; L71-W75 PolarHBondContact O-N 2.97Å; L71-W75 VanDerWaalsContact O-N 3.08Å; L71-W92 HydrophobicContact CB-CZ3 4.3Å |
| 72 | L | 95.7 | Very high | 92 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.4 | -40 | 174.9 | -68.2 | 170.5 | 0 | 0 | 0 | 111.9 | V4 L6 L68 E69 L74 W75 K76 L126 Y130 | V4-L72 HydrophobicContact CB-CD2 4.34Å; V4-L72 HydrophobicContact CG1-CD2 3.88Å; V4-L72 HydrophobicContact CG2-CD2 4.33Å; L6-L72 HydrophobicContact CD1-CD1 3.89Å; L6-L72 HydrophobicContact CD2-CD1 4.4Å; L6-L72 HydrophobicContact CD2-CD2 4.26Å; L68-L72 HydrophobicContact CD1-CG 4.46Å; L68-L72 HydrophobicContact CG-CD1 4.21Å; L68-L72 VanDerWaalsContact O-CG 3.27Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 2.84Å; E69-L72 PolarHBondContact O-N 3.35Å; L72-L74 PolarHBondContact O-N 3.1Å; L72-W75 HydrophobicContact CD2-CE3 3.96Å; L72-W75 HydrophobicContact CD2-CZ3 4.18Å; L72-W75 PolarHBondContact O-N 3.06Å; L72-K76 WeakPolarHBondContact O-CB 3.41Å; L72-K76 VanDerWaalsContact O-CG 3.23Å; L72-K76 WeakPolarHBondContact O-CG 3.45Å; L72-K76 PolarHBondContact O-N 2.96Å; L72-L126 HydrophobicContact CD1-CD1 4.17Å; L72-L126 HydrophobicContact CD1-CD2 3.85Å; L72-L126 HydrophobicContact CD1-CG 3.69Å; L72-Y130 HydrophobicContact CB-CD1 4.2Å; L72-Y130 HydrophobicContact CB-CD2 4.09Å; L72-Y130 HydrophobicContact CB-CG 3.91Å; L72-Y130 HydrophobicContact CD1-CD2 4.26Å |
| 73 | A | 94.5 | Very high | 91.7 | Very high | 5 Ų | 5 | 49.3 Ų | 49.3 | 4% | 0.041 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -57.7 | -48.3 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E69 K70 L71 W75 K76 G77 F78 I80 Y130 | E69-A73 WeakPolarHBondContact O-CB 3.5Å; E69-A73 PolarHBondContact O-N 2.94Å; K70-A73 WeakPolarHBondContact O-CB 3.44Å; K70-A73 PolarHBondContact O-N 3.09Å; L71-A73 VanDerWaalsContact C-N 3.33Å; L71-A73 PolarHBondContact O-N 3.42Å; A73-W75 PolarHBondContact O-N 3.36Å; A73-K76 CarbonylContact O-C 3.49Å; A73-K76 PolarHBondContact O-N 3.35Å; A73-G77 PolarHBondContact O-N 2.98Å; A73-G77 VanDerWaalsContact O-N 3.08Å; A73-F78 HydrophobicContact CB-CB 4.14Å; A73-F78 PolarHBondContact O-N 3.5Å; A73-I80 HydrophobicContact CB-CG1 4.34Å; A73-Y130 HydrophobicContact CB-CE1 3.75Å |
| 74 | L | 94.6 | Very high | 91.6 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 34% | 0.34 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 176.2 | -69.9 | 170 | 0 | 0 | 0 | 112.4 | K70 L71 L72 K76 G77 I80 W92 | K70-L74 PolarHBondContact O-N 3.32Å; K70-L74 VanDerWaalsContact O-N 3.09Å; L71-L74 PolarHBondContact O-N 3.48Å; L72-L74 PolarHBondContact O-N 3.1Å; L74-K76 PolarHBondContact O-N 3.42Å; L74-G77 PolarHBondContact O-N 2.92Å; L74-I80 HydrophobicContact CD1-CD1 3.39Å; L74-I80 HydrophobicContact CD1-CG1 4.41Å; L74-I80 HydrophobicContact CD2-CD1 3.55Å; L74-I80 HydrophobicContact CD2-CG1 3.72Å; L74-I80 HydrophobicContact CG-CD1 3.23Å; L74-I80 HydrophobicContact CG-CG1 3.72Å; L74-W92 HydrophobicContact CD1-CH2 3.9Å; L74-W92 HydrophobicContact CD1-CZ2 4.21Å |
| 75 | W | 95.5 | Very high | 91.4 | Very high | 9 Ų | 9 | 54.1 Ų | 54.1 | 3% | 0.034 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65 | -23.7 | -179.4 | -69.5 | -16.2 | 0 | 0 | 0 | 113.9 | K2 V4 L35 L71 L72 A73 Y98 L101 V106 V108 | K2-W75 HydrophobicContact CB-CB 4.22Å; K2-W75 HydrophobicContact CD-CB 3.88Å; K2-W75 HydrophobicContact CD-CD2 3.95Å; K2-W75 HydrophobicContact CD-CG 3.57Å; K2-W75 VanDerWaalsContact CE-CD1 3.4Å; K2-W75 HydrophobicContact CG-CB 4.13Å; K2-W75 HydrophobicContact CG-CG 4.36Å; K2-W75 PolarHBondContact N-O 3.39Å; K2-W75 VanDerWaalsContact N-O 3.15Å; V4-W75 HydrophobicContact CG1-CZ3 4.25Å; V4-W75 HydrophobicContact CG2-CE3 3.92Å; V4-W75 HydrophobicContact CG2-CZ3 4.36Å; L35-W75 HydrophobicContact CD2-CH2 3.96Å; L71-W75 HydrophobicContact CD1-CD2 4.36Å; L71-W75 HydrophobicContact CD1-CH2 4.37Å; L71-W75 HydrophobicContact CD1-CZ2 3.67Å; L71-W75 HydrophobicContact CD2-CH2 3.43Å; L71-W75 VanDerWaalsContact CD2-CH2 3.43Å; L71-W75 HydrophobicContact CD2-CZ2 3.53Å; L71-W75 HydrophobicContact CD2-CZ3 4.07Å; L71-W75 HydrophobicContact CG-CD2 4.05Å; L71-W75 HydrophobicContact CG-CE3 4.22Å; L71-W75 HydrophobicContact CG-CH2 3.69Å; L71-W75 HydrophobicContact CG-CZ2 3.51Å; L71-W75 HydrophobicContact CG-CZ3 4.04Å; L71-W75 PolarHBondContact O-N 2.97Å; L71-W75 VanDerWaalsContact O-N 3.08Å; L72-W75 HydrophobicContact CD2-CE3 3.96Å; L72-W75 HydrophobicContact CD2-CZ3 4.18Å; L72-W75 PolarHBondContact O-N 3.06Å; A73-W75 PolarHBondContact O-N 3.36Å; W75-Y98 WeakPolarHBondContact CZ2-O 3.42Å; W75-Y98 PolarHBondContact NE1-O 2.89Å; W75-L101 HydrophobicContact CZ2-CD2 4.29Å; W75-V106 HydrophobicContact CH2-CG1 3.84Å; W75-V106 HydrophobicContact CZ3-CG1 4.09Å; W75-V108 HydrophobicContact CH2-CG2 4.27Å; W75-V108 HydrophobicContact CZ3-CG2 4.08Å |
| 76 | K | 93 | Very high | 91.3 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 9% | 0.091 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.2 | 173.2 | -61 | -65.8 | -179.8 | 171.4 | 0 | 112.9 | M1 K2 L72 A73 L74 F78 Y130 S131 C132 | M1-K76 HydrophobicContact CB-CD 4.43Å; M1-K76 HydrophobicContact SD-CB 4.46Å; K2-K76 WeakPolarHBondContact O-CE 3.33Å; K2-K76 PolarHBondContact O-NZ 3.23Å; L72-K76 WeakPolarHBondContact O-CB 3.41Å; L72-K76 VanDerWaalsContact O-CG 3.23Å; L72-K76 WeakPolarHBondContact O-CG 3.45Å; L72-K76 PolarHBondContact O-N 2.96Å; A73-K76 CarbonylContact O-C 3.49Å; A73-K76 PolarHBondContact O-N 3.35Å; L74-K76 PolarHBondContact O-N 3.42Å; K76-F78 HydrophobicContact CB-CD2 3.6Å; K76-F78 HydrophobicContact CB-CE2 3.54Å; K76-F78 HydrophobicContact CG-CE2 4.5Å; K76-Y130 HydrophobicContact CB-CD1 4.48Å; K76-Y130 WeakPolarHBondContact CE-O 3.48Å; K76-Y130 HydrophobicContact CG-CD1 4.23Å; K76-Y130 PolarHBondContact NZ-O 3.29Å; K76-S131 PolarHBondContact NZ-O 3.08Å; K76-C132 VanDerWaalsContact CE-SG 3.56Å |
| 77 | G | 91.5 | Very high | 91.1 | Very high | 69 Ų | 69 | 63.3 Ų | 63.3 | 71% | 0.711 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 19.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | A73 L74 | A73-G77 PolarHBondContact O-N 2.98Å; A73-G77 VanDerWaalsContact O-N 3.08Å; L74-G77 PolarHBondContact O-N 2.92Å |
| 78 | F | 90.6 | Very high | 91 | Very high | 122 Ų | 122 | 64.3 Ų | 64.3 | 54% | 0.535 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -84.9 | 147.4 | 171.5 | -61.6 | -75.2 | 0 | 0 | 0 | 110.6 | A73 K76 Y130 | A73-F78 HydrophobicContact CB-CB 4.14Å; A73-F78 PolarHBondContact O-N 3.5Å; K76-F78 HydrophobicContact CB-CD2 3.6Å; K76-F78 HydrophobicContact CB-CE2 3.54Å; K76-F78 HydrophobicContact CG-CE2 4.5Å; F78-Y130 HydrophobicContact CD2-CD1 4.16Å; F78-Y130 AromaticContact CD2-CE1 4Å; F78-Y130 HydrophobicContact CD2-CE1 4Å; F78-Y130 HydrophobicContact CE2-CD1 4.1Å; F78-Y130 HydrophobicContact CE2-CE1 4.28Å |
| 79 | E | 86.9 | Confident | 90.9 | Very high | 197 Ų | 197 | 69.2 Ų | 69.2 | 92% | 0.921 | 35% | 0.352 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 137 | 168.6 | -65.9 | -178.3 | 176.2 | 0 | 0 | 110.2 | ||
| 80 | I | 80.6 | Confident | 90.8 | Very high | 28 Ų | 28 | 69.1 Ų | 69.1 | 14% | 0.144 | 35% | 0.354 | C | S | . | . | P | Polyproline II helix | trans | -97.2 | 132.3 | 171.6 | -47.6 | 171.4 | 0 | 0 | 0 | 109.4 | K70 A73 L74 H82 W92 | K70-I80 HydrophobicContact CB-CD1 3.92Å; K70-I80 HydrophobicContact CB-CG2 4.06Å; K70-I80 HydrophobicContact CD-CG2 4.06Å; K70-I80 HydrophobicContact CG-CG2 3.75Å; K70-I80 WeakPolarHBondContact O-CD1 3.47Å; A73-I80 HydrophobicContact CB-CG1 4.34Å; L74-I80 HydrophobicContact CD1-CD1 3.39Å; L74-I80 HydrophobicContact CD1-CG1 4.41Å; L74-I80 HydrophobicContact CD2-CD1 3.55Å; L74-I80 HydrophobicContact CD2-CG1 3.72Å; L74-I80 HydrophobicContact CG-CD1 3.23Å; L74-I80 HydrophobicContact CG-CG1 3.72Å; I80-H82 PolarHBondContact O-N 3.26Å; I80-W92 HydrophobicContact CD1-CH2 4.05Å; I80-W92 HydrophobicContact CD1-CZ2 4.28Å |
| 81 | I | 76.2 | Confident | 90.8 | Very high | 148 Ų | 148 | 67.9 Ų | 67.9 | 76% | 0.759 | 35% | 0.349 | S | S | * | . | trans | -78.8 | 111.2 | 157.5 | -57.2 | 169.1 | 0 | 0 | 0 | 108.4 | N83 | I81-N83 HydrophobicContact CG2-CB 4.12Å; I81-N83 PolarHBondContact O-N 3Å | ||
| 82 | H | 77.1 | Confident | 90.8 | Very high | 126 Ų | 126 | 69 Ų | 69 | 58% | 0.583 | 35% | 0.353 | S | S | * | . | trans | -74.6 | 46 | 178.8 | -71.1 | -74.2 | 0 | 0 | 0 | 113.6 | I80 L84 | I80-H82 PolarHBondContact O-N 3.26Å; H82-L84 VanDerWaalsContact C-N 3.34Å; H82-L84 PolarHBondContact O-N 2.85Å | ||
| 83 | N | 87 | Confident | 90.8 | Very high | 133 Ų | 133 | 75.1 Ų | 75.1 | 71% | 0.711 | 39% | 0.385 | S | S | * | . | trans | -88 | 78 | 169.6 | -166.3 | 10.7 | 0 | 0 | 0 | 109.2 | I81 | I81-N83 HydrophobicContact CG2-CB 4.12Å; I81-N83 PolarHBondContact O-N 3Å | ||
| 84 | L | 92.3 | Very high | 90.8 | Very high | 21 Ų | 21 | 79.8 Ų | 79.8 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | trans | -90.3 | 125.7 | 178.5 | -64.9 | 167.6 | 0 | 0 | 0 | 109.4 | K70 H82 E88 Q89 W92 | K70-L84 HydrophobicContact CD-CD2 3.4Å; K70-L84 VanDerWaalsContact CD-CD2 3.4Å; K70-L84 HydrophobicContact CD-CG 4.49Å; H82-L84 VanDerWaalsContact C-N 3.34Å; H82-L84 PolarHBondContact O-N 2.85Å; L84-E88 HydrophobicContact CB-CB 4.08Å; L84-E88 HydrophobicContact CD2-CB 3.76Å; L84-Q89 HydrophobicContact CB-CG 3.54Å; L84-Q89 HydrophobicContact CD1-CG 4.36Å; L84-Q89 PolarHBondContact O-NE2 3.19Å; L84-W92 HydrophobicContact CD1-CB 3.9Å; L84-W92 HydrophobicContact CD1-CG 3.77Å; L84-W92 HydrophobicContact CD2-CB 4.38Å | ||
| 85 | N | 92.5 | Very high | 90.9 | Very high | 82 Ų | 82 | 76.8 Ų | 76.8 | 44% | 0.439 | 39% | 0.386 | S | S | . | . | trans | -69.1 | 166.7 | 167.5 | 70.9 | 60.6 | 0 | 0 | 0 | 111.1 | K87 E88 Q89 | N85-K87 VanDerWaalsContact C-N 3.27Å; N85-K87 PolarHBondContact O-N 3.12Å; N85-K87 VanDerWaalsContact O-N 3.16Å; N85-K87 WeakPolarHBondContact OD1-CB 3.47Å; N85-K87 PolarHBondContact OD1-N 3.01Å; N85-E88 PolarHBondContact N-OE2 3.36Å; N85-E88 VanDerWaalsContact ND2-CD 3.27Å; N85-E88 WeakPolarHBondContact ND2-CG 3.22Å; N85-E88 PolarHBondContact ND2-OE2 2.93Å; N85-E88 CarbonylContact O-C 3.58Å; N85-E88 WeakPolarHBondContact O-CA 3.2Å; N85-E88 WeakPolarHBondContact O-CB 3.09Å; N85-E88 PolarHBondContact O-N 3.37Å; N85-E88 PolarHBondContact OD1-N 2.95Å; N85-Q89 WeakPolarHBondContact O-CG 3.45Å; N85-Q89 PolarHBondContact O-N 3.31Å | ||
| 86 | E | 92.5 | Very high | 90.8 | Very high | 164 Ų | 164 | 78.6 Ų | 78.6 | 77% | 0.766 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -51.6 | -42.5 | -176.2 | -64.9 | 176.9 | 175.1 | 0 | 0 | 113.6 | Q89 V90 | E86-Q89 PolarHBondContact O-N 3.19Å; E86-V90 PolarHBondContact O-N 3.5Å |
| 87 | K | 92.7 | Very high | 90.9 | Very high | 64 Ų | 64 | 82.6 Ų | 82.6 | 28% | 0.278 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -69 | -44.2 | 178.1 | -64.9 | -172.5 | 173 | 79.8 | 0 | 111 | A59 W60 A63 N85 Q89 V90 I91 | A59-K87 HydrophobicContact CB-CD 3.98Å; W60-K87 HydrophobicContact CD2-CB 4.25Å; W60-K87 HydrophobicContact CD2-CD 3.72Å; W60-K87 HydrophobicContact CD2-CG 4.01Å; W60-K87 HydrophobicContact CE3-CB 3.77Å; W60-K87 HydrophobicContact CE3-CD 4.12Å; W60-K87 HydrophobicContact CE3-CG 4.03Å; W60-K87 HydrophobicContact CG-CD 3.98Å; W60-K87 HydrophobicContact CH2-CB 4.02Å; W60-K87 HydrophobicContact CH2-CG 3.92Å; W60-K87 HydrophobicContact CZ2-CB 4.47Å; W60-K87 HydrophobicContact CZ2-CD 4.3Å; W60-K87 HydrophobicContact CZ2-CG 3.89Å; W60-K87 HydrophobicContact CZ3-CB 3.65Å; W60-K87 HydrophobicContact CZ3-CG 3.99Å; W60-K87 WeakPolarHBondContact CZ3-O 3.3Å; A63-K87 HydrophobicContact CB-CB 3.67Å; N85-K87 VanDerWaalsContact C-N 3.27Å; N85-K87 PolarHBondContact O-N 3.12Å; N85-K87 VanDerWaalsContact O-N 3.16Å; N85-K87 WeakPolarHBondContact OD1-CB 3.47Å; N85-K87 PolarHBondContact OD1-N 3.01Å; K87-Q89 VanDerWaalsContact C-N 3.3Å; K87-Q89 PolarHBondContact O-N 3.32Å; K87-V90 PolarHBondContact O-N 3.38Å; K87-I91 WeakPolarHBondContact O-CG1 3.45Å; K87-I91 PolarHBondContact O-N 3.13Å; K87-I91 VanDerWaalsContact O-N 3.15Å |
| 88 | E | 94.7 | Very high | 91.1 | Very high | 20 Ų | 20 | 82.4 Ų | 82.4 | 9% | 0.093 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -62 | -36 | 176.5 | -73.6 | 179.9 | 125.8 | 0 | 0 | 112.5 | A63 C67 K70 L84 N85 V90 I91 W92 | A63-E88 HydrophobicContact CB-CG 3.87Å; C67-E88 PolarHBondContact SG-O 3.3Å; K70-E88 IonicContact NZ-OE1 3.87Å; K70-E88 PolarHBondContact NZ-OE1 3.28Å; K70-E88 IonicContact NZ-OE2 2.79Å; L84-E88 HydrophobicContact CB-CB 4.08Å; L84-E88 HydrophobicContact CD2-CB 3.76Å; N85-E88 PolarHBondContact N-OE2 3.36Å; N85-E88 VanDerWaalsContact ND2-CD 3.27Å; N85-E88 WeakPolarHBondContact ND2-CG 3.22Å; N85-E88 PolarHBondContact ND2-OE2 2.93Å; N85-E88 CarbonylContact O-C 3.58Å; N85-E88 WeakPolarHBondContact O-CA 3.2Å; N85-E88 WeakPolarHBondContact O-CB 3.09Å; N85-E88 PolarHBondContact O-N 3.37Å; N85-E88 PolarHBondContact OD1-N 2.95Å; E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.46Å; E88-I91 PolarHBondContact O-N 3.25Å; E88-W92 WeakPolarHBondContact O-CB 3.47Å; E88-W92 PolarHBondContact O-N 3.42Å |
| 89 | Q | 94.7 | Very high | 91.2 | Very high | 104 Ų | 104 | 78.5 Ų | 78.5 | 49% | 0.486 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.4 | -44.5 | 175.9 | -69.9 | 173.7 | 21.9 | 0 | 0 | 111.3 | L84 N85 E86 K87 W92 L93 | L84-Q89 HydrophobicContact CB-CG 3.54Å; L84-Q89 HydrophobicContact CD1-CG 4.36Å; L84-Q89 PolarHBondContact O-NE2 3.19Å; N85-Q89 WeakPolarHBondContact O-CG 3.45Å; N85-Q89 PolarHBondContact O-N 3.31Å; E86-Q89 PolarHBondContact O-N 3.19Å; K87-Q89 VanDerWaalsContact C-N 3.3Å; K87-Q89 PolarHBondContact O-N 3.32Å; Q89-W92 PolarHBondContact O-N 3.43Å; Q89-L93 WeakPolarHBondContact O-CG 3.42Å; Q89-L93 PolarHBondContact O-N 3.01Å |
| 90 | V | 94.2 | Very high | 91.4 | Very high | 47 Ų | 47 | 74.3 Ų | 74.3 | 29% | 0.285 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -63.7 | -45.8 | 178.1 | 178.3 | 0 | 0 | 0 | 0 | 111.5 | P44 W60 E86 K87 E88 | P44-V90 HydrophobicContact CG-CG1 3.72Å; W60-V90 HydrophobicContact CH2-CB 4.13Å; W60-V90 HydrophobicContact CH2-CG1 4.31Å; W60-V90 HydrophobicContact CH2-CG2 4.27Å; W60-V90 HydrophobicContact CZ3-CB 4.12Å; W60-V90 HydrophobicContact CZ3-CG1 4.35Å; E86-V90 PolarHBondContact O-N 3.5Å; K87-V90 PolarHBondContact O-N 3.38Å; E88-V90 VanDerWaalsContact C-N 3.31Å; E88-V90 PolarHBondContact O-N 3.46Å |
| 91 | I | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 177.3 | -56.7 | -46.8 | 0 | 0 | 0 | 110.6 | L42 W60 A63 V64 C67 K87 E88 L93 R94 I95 | L42-I91 HydrophobicContact CB-CD1 4.23Å; L42-I91 WeakPolarHBondContact O-CD1 3.37Å; W60-I91 HydrophobicContact CE3-CD1 3.91Å; W60-I91 HydrophobicContact CE3-CG1 4.33Å; W60-I91 HydrophobicContact CZ3-CD1 3.9Å; W60-I91 HydrophobicContact CZ3-CG1 4.29Å; A63-I91 HydrophobicContact CB-CG1 4.16Å; V64-I91 HydrophobicContact CG2-CD1 4.1Å; V64-I91 HydrophobicContact CG2-CG1 4.16Å; V64-I91 HydrophobicContact CG2-CG2 4.29Å; C67-I91 HydrophobicContact CB-CB 4.3Å; C67-I91 HydrophobicContact CB-CG2 3.77Å; K87-I91 WeakPolarHBondContact O-CG1 3.45Å; K87-I91 PolarHBondContact O-N 3.13Å; K87-I91 VanDerWaalsContact O-N 3.15Å; E88-I91 PolarHBondContact O-N 3.25Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 2.99Å; I91-R94 WeakPolarHBondContact O-CB 3.47Å; I91-R94 PolarHBondContact O-N 2.83Å; I91-I95 HydrophobicContact CG2-CD1 4.31Å; I91-I95 HydrophobicContact CG2-CG2 4.42Å; I91-I95 PolarHBondContact O-N 2.84Å |
| 92 | W | 95.6 | Very high | 92.6 | Very high | 24 Ų | 24 | 75.3 Ų | 75.3 | 9% | 0.091 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.3 | -41.2 | -176.5 | -174 | -109.7 | 0 | 0 | 0 | 111.7 | C67 K70 L71 L74 I80 L84 E88 Q89 R94 I95 N96 | C67-W92 HydrophobicContact CB-CE3 4.15Å; K70-W92 HydrophobicContact CB-CE3 4.33Å; K70-W92 HydrophobicContact CB-CH2 4Å; K70-W92 HydrophobicContact CB-CZ3 3.66Å; L71-W92 HydrophobicContact CB-CZ3 4.3Å; L74-W92 HydrophobicContact CD1-CH2 3.9Å; L74-W92 HydrophobicContact CD1-CZ2 4.21Å; I80-W92 HydrophobicContact CD1-CH2 4.05Å; I80-W92 HydrophobicContact CD1-CZ2 4.28Å; L84-W92 HydrophobicContact CD1-CB 3.9Å; L84-W92 HydrophobicContact CD1-CG 3.77Å; L84-W92 HydrophobicContact CD2-CB 4.38Å; E88-W92 WeakPolarHBondContact O-CB 3.47Å; E88-W92 PolarHBondContact O-N 3.42Å; Q89-W92 PolarHBondContact O-N 3.43Å; W92-R94 PolarHBondContact O-N 2.83Å; W92-R94 VanDerWaalsContact O-N 3.1Å; W92-I95 HydrophobicContact CE3-CD1 4.45Å; W92-I95 HydrophobicContact CE3-CG1 4.18Å; W92-I95 PolarHBondContact O-N 2.64Å; W92-I95 VanDerWaalsContact O-N 3.17Å; W92-N96 HydrophobicContact CD2-CB 3.91Å; W92-N96 HydrophobicContact CG-CB 4.18Å; W92-N96 HydrophobicContact CZ2-CB 3.9Å; W92-N96 WeakPolarHBondContact O-CB 3.47Å; W92-N96 VanDerWaalsContact O-CG 3.25Å; W92-N96 PolarHBondContact O-N 2.86Å |
| 93 | L | 94.8 | Very high | 93.3 | Very high | 129 Ų | 129 | 70.3 Ų | 70.3 | 68% | 0.675 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -57.9 | -24.6 | 174.9 | -73.1 | 171.7 | 0 | 0 | 0 | 113.6 | Q89 I91 | Q89-L93 WeakPolarHBondContact O-CG 3.42Å; Q89-L93 PolarHBondContact O-N 3.01Å; I91-L93 VanDerWaalsContact C-N 3.32Å; I91-L93 PolarHBondContact O-N 2.99Å |
| 94 | R | 94.8 | Very high | 93.6 | Very high | 103 Ų | 103 | 72.1 Ų | 72.1 | 39% | 0.389 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -89.6 | -29.6 | 179.7 | -64 | 173.6 | 176.5 | -176.2 | -12.8 | 112.9 | Q41 L42 I91 W92 | Q41-R94 PolarHBondContact O-NH1 2.76Å; L42-R94 HydrophobicContact CD2-CB 3.86Å; L42-R94 PolarHBondContact O-NH1 2.83Å; I91-R94 WeakPolarHBondContact O-CB 3.47Å; I91-R94 PolarHBondContact O-N 2.83Å; W92-R94 PolarHBondContact O-N 2.83Å; W92-R94 VanDerWaalsContact O-N 3.1Å |
| 95 | I | 96 | Very high | 93.8 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -111.5 | -12.5 | -172.9 | 75.4 | 167.6 | 0 | 0 | 0 | 114.2 | L37 L42 C67 I91 W92 I97 Y98 | L37-I95 HydrophobicContact CD2-CG2 3.95Å; L42-I95 HydrophobicContact CD1-CG2 4.22Å; L42-I95 HydrophobicContact CD2-CG2 3.56Å; C67-I95 HydrophobicContact CB-CD1 3.54Å; C67-I95 HydrophobicContact CB-CG1 4.34Å; I91-I95 HydrophobicContact CG2-CD1 4.31Å; I91-I95 HydrophobicContact CG2-CG2 4.42Å; I91-I95 PolarHBondContact O-N 2.84Å; W92-I95 HydrophobicContact CE3-CD1 4.45Å; W92-I95 HydrophobicContact CE3-CG1 4.18Å; W92-I95 PolarHBondContact O-N 2.64Å; W92-I95 VanDerWaalsContact O-N 3.17Å; I95-I97 PolarHBondContact O-N 2.83Å; I95-I97 VanDerWaalsContact O-N 3.16Å; I95-Y98 HydrophobicContact CB-CD2 4.1Å; I95-Y98 HydrophobicContact CB-CE2 4.43Å; I95-Y98 WeakPolarHBondContact O-CB 3.39Å; I95-Y98 WeakPolarHBondContact O-CD2 3.29Å; I95-Y98 PolarHBondContact O-N 3.47Å |
| 96 | N | 93.9 | Very high | 94 | Very high | 47 Ų | 47 | 69.2 Ų | 69.2 | 25% | 0.251 | 35% | 0.346 | S | S | . | . | G | 310 helix | trans | -63.8 | -21.9 | -176.9 | 69 | 7 | 0 | 0 | 0 | 112.8 | W92 Y98 S99 | W92-N96 HydrophobicContact CD2-CB 3.91Å; W92-N96 HydrophobicContact CG-CB 4.18Å; W92-N96 HydrophobicContact CZ2-CB 3.9Å; W92-N96 WeakPolarHBondContact O-CB 3.47Å; W92-N96 VanDerWaalsContact O-CG 3.25Å; W92-N96 PolarHBondContact O-N 2.86Å; N96-Y98 PolarHBondContact O-N 2.91Å; N96-Y98 VanDerWaalsContact O-N 3.13Å; N96-S99 WeakPolarHBondContact O-CB 3.37Å; N96-S99 PolarHBondContact O-N 2.55Å; N96-S99 PolarHBondContact O-OG 3.1Å |
| 97 | I | 94.9 | Very high | 94.3 | Very high | 104 Ų | 104 | 61.4 Ų | 61.4 | 53% | 0.533 | 31% | 0.309 | S | S | . | . | G | 310 helix | trans | -56.3 | -27.7 | 174 | 60.2 | 170.4 | 0 | 0 | 0 | 111.9 | I95 S99 T100 | I95-I97 PolarHBondContact O-N 2.83Å; I95-I97 VanDerWaalsContact O-N 3.16Å; I97-S99 VanDerWaalsContact C-N 3.27Å; I97-S99 PolarHBondContact O-N 3.06Å; I97-T100 PolarHBondContact O-OG1 3.15Å |
| 98 | Y | 95.3 | Very high | 94.5 | Very high | 65 Ų | 65 | 58.4 Ų | 58.4 | 26% | 0.255 | 30% | 0.296 | S | S | . | . | G | 310 helix | trans | -79.6 | -8.2 | 178.1 | -54 | -60.8 | 0 | 0 | 0 | 113 | L35 L37 W75 I95 N96 T100 L101 | L35-Y98 HydrophobicContact CD1-CD1 3.67Å; L35-Y98 HydrophobicContact CD1-CD2 3.61Å; L35-Y98 HydrophobicContact CD1-CE1 3.4Å; L35-Y98 HydrophobicContact CD1-CE2 3.36Å; L35-Y98 HydrophobicContact CD1-CG 3.77Å; L35-Y98 HydrophobicContact CD2-CD2 4.03Å; L35-Y98 HydrophobicContact CD2-CG 4.05Å; L35-Y98 HydrophobicContact CG-CD2 4.5Å; L37-Y98 HydrophobicContact CD2-CE2 4.25Å; W75-Y98 WeakPolarHBondContact CZ2-O 3.42Å; W75-Y98 PolarHBondContact NE1-O 2.89Å; I95-Y98 HydrophobicContact CB-CD2 4.1Å; I95-Y98 HydrophobicContact CB-CE2 4.43Å; I95-Y98 WeakPolarHBondContact O-CB 3.39Å; I95-Y98 WeakPolarHBondContact O-CD2 3.29Å; I95-Y98 PolarHBondContact O-N 3.47Å; N96-Y98 PolarHBondContact O-N 2.91Å; N96-Y98 VanDerWaalsContact O-N 3.13Å; Y98-T100 PolarHBondContact O-N 3.07Å; Y98-L101 WeakPolarHBondContact O-CB 3.4Å; Y98-L101 PolarHBondContact O-N 2.86Å |
| 99 | S | 92.5 | Very high | 94.7 | Very high | 41 Ų | 41 | 57.4 Ų | 57.4 | 29% | 0.287 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -62.5 | -32.7 | 176.4 | 63.4 | 0 | 0 | 0 | 0 | 112.4 | N96 I97 | N96-S99 WeakPolarHBondContact O-CB 3.37Å; N96-S99 PolarHBondContact O-N 2.55Å; N96-S99 PolarHBondContact O-OG 3.1Å; I97-S99 VanDerWaalsContact C-N 3.27Å; I97-S99 PolarHBondContact O-N 3.06Å |
| 100 | T | 90.8 | Very high | 94.9 | Very high | 109 Ų | 109 | 52.5 Ų | 52.5 | 67% | 0.669 | 27% | 0.268 | S | S | * | . | G | 310 helix | trans | -97.5 | 14.8 | 179.4 | 60.1 | 0 | 0 | 0 | 0 | 112.7 | I97 Y98 D102 | I97-T100 PolarHBondContact O-OG1 3.15Å; Y98-T100 PolarHBondContact O-N 3.07Å; T100-D102 PolarHBondContact O-N 3.49Å |
| 101 | L | 91.6 | Very high | 95 | Very high | 43 Ų | 43 | 50.5 Ų | 50.5 | 23% | 0.225 | 26% | 0.256 | C | S | . | . | trans | -58.3 | 129.7 | 176.9 | -176.2 | 67.3 | 0 | 0 | 0 | 109.7 | K2 W75 Y98 A103 V106 | K2-L101 VanDerWaalsContact CE-O 3.23Å; K2-L101 WeakPolarHBondContact CE-O 3.19Å; K2-L101 PolarHBondContact NZ-O 2.97Å; W75-L101 HydrophobicContact CZ2-CD2 4.29Å; Y98-L101 WeakPolarHBondContact O-CB 3.4Å; Y98-L101 PolarHBondContact O-N 2.86Å; L101-A103 HydrophobicContact CG-CB 4.4Å; L101-V106 HydrophobicContact CD2-CG1 4.1Å; L101-V106 HydrophobicContact CD2-CG2 3.77Å | ||
| 102 | D | 90.5 | Very high | 95 | Very high | 153 Ų | 153 | 50.8 Ų | 50.8 | 82% | 0.818 | 26% | 0.258 | S | S | * | . | trans | -79.8 | -26.8 | -175.2 | -72.6 | -39.1 | 0 | 0 | 0 | 113.6 | T100 K104 | T100-D102 PolarHBondContact O-N 3.49Å; D102-K104 PolarHBondContact O-N 3.06Å | ||
| 103 | A | 92 | Very high | 94.9 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 18% | 0.182 | 26% | 0.26 | C | S | . | . | trans | -58.9 | 134.9 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | K2 S33 L101 D105 | K2-A103 WeakPolarHBondContact CD-O 3.12Å; K2-A103 PolarHBondContact NZ-O 3.43Å; S33-A103 WeakPolarHBondContact OG-CB 3.36Å; L101-A103 HydrophobicContact CG-CB 4.4Å; A103-D105 VanDerWaalsContact C-N 3.33Å | ||
| 104 | K | 93.8 | Very high | 95 | Very high | 171 Ų | 171 | 45 Ų | 45 | 74% | 0.743 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -70.5 | -32.6 | 178.1 | -70 | -175.5 | 180 | 175.7 | 0 | 112.4 | K2 Q3 D102 | K2-K104 CarbonylContact C-O 3.51Å; K2-K104 WeakPolarHBondContact CA-O 3.47Å; K2-K104 VanDerWaalsContact CB-O 3.31Å; K2-K104 WeakPolarHBondContact CB-O 3.23Å; Q3-K104 PolarHBondContact N-O 3.4Å; D102-K104 PolarHBondContact O-N 3.06Å |
| 105 | D | 96.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 42 Ų | 42 | 23% | 0.225 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 131.8 | -177.1 | -67.4 | -10.2 | 0 | 0 | 0 | 109.9 | Q3 C32 S33 A103 L207 | Q3-D105 WeakPolarHBondContact CB-OD1 3.4Å; Q3-D105 CarbonylContact O-C 3.59Å; Q3-D105 WeakPolarHBondContact O-CA 3.34Å; C32-D105 CarbonylContact C-O 3.53Å; C32-D105 VanDerWaalsContact CA-O 3.26Å; C32-D105 WeakPolarHBondContact CA-O 3.43Å; C32-D105 HydrophobicContact CB-CB 3.8Å; C32-D105 WeakPolarHBondContact CB-O 3.46Å; S33-D105 PolarHBondContact N-O 3.09Å; A103-D105 VanDerWaalsContact C-N 3.33Å; D105-L207 HydrophobicContact CB-CD1 3.69Å; D105-L207 HydrophobicContact CB-CD2 4.03Å; D105-L207 HydrophobicContact CB-CG 4.47Å |
| 106 | V | 97.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 128 | -173.8 | -172.1 | 0 | 0 | 0 | 0 | 110.5 | K2 Q3 V4 V5 S33 L35 W75 L101 V108 | K2-V106 HydrophobicContact CD-CG2 3.83Å; Q3-V106 PolarHBondContact O-N 2.85Å; V4-V106 CarbonylContact C-O 3.58Å; V4-V106 VanDerWaalsContact CA-O 3.23Å; V4-V106 WeakPolarHBondContact CA-O 3.22Å; V4-V106 HydrophobicContact CG2-CB 4.42Å; V5-V106 PolarHBondContact N-O 3.26Å; S33-V106 CarbonylContact O-C 3.57Å; S33-V106 WeakPolarHBondContact O-CA 3.47Å; L35-V106 HydrophobicContact CB-CG1 4.4Å; W75-V106 HydrophobicContact CH2-CG1 3.84Å; W75-V106 HydrophobicContact CZ3-CG1 4.09Å; L101-V106 HydrophobicContact CD2-CG1 4.1Å; L101-V106 HydrophobicContact CD2-CG2 3.77Å; V106-V108 HydrophobicContact CG1-CG2 3.98Å |
| 107 | I | 97.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 119.2 | 171.4 | -65.1 | 168.7 | 0 | 0 | 0 | 106.9 | V5 S33 V34 L35 L109 L200 L203 K204 | V5-I107 HydrophobicContact CB-CG1 4.44Å; V5-I107 HydrophobicContact CG2-CG1 4.42Å; S33-I107 PolarHBondContact O-N 2.88Å; V34-I107 CarbonylContact C-O 3.59Å; V34-I107 WeakPolarHBondContact CA-O 3.48Å; L35-I107 PolarHBondContact N-O 3.48Å; I107-L109 HydrophobicContact CG2-CD2 3.99Å; I107-L200 HydrophobicContact CD1-CD1 3.64Å; I107-L203 HydrophobicContact CD1-CB 3.84Å; I107-L203 HydrophobicContact CG1-CB 4.45Å; I107-L203 HydrophobicContact CG2-CB 4.31Å; I107-L203 HydrophobicContact CG2-CD1 3.83Å; I107-K204 HydrophobicContact CD1-CG 3.97Å |
| 108 | V | 98.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 109.4 | 179.7 | -173.5 | 0 | 0 | 0 | 0 | 109.1 | V4 V5 L6 T7 L35 L37 L68 W75 V106 L110 | V4-V108 HydrophobicContact CG1-CG2 3.98Å; V5-V108 PolarHBondContact O-N 3.16Å; L6-V108 HydrophobicContact CD2-CB 3.84Å; L6-V108 HydrophobicContact CD2-CG1 4.36Å; L6-V108 HydrophobicContact CD2-CG2 3.98Å; T7-V108 PolarHBondContact N-O 3.39Å; L35-V108 HydrophobicContact CB-CG2 4.44Å; L35-V108 HydrophobicContact CD2-CG1 4.23Å; L35-V108 HydrophobicContact CD2-CG2 4.22Å; L35-V108 HydrophobicContact CG-CG1 4.4Å; L35-V108 CarbonylContact O-C 3.6Å; L35-V108 WeakPolarHBondContact O-CA 3.46Å; L37-V108 HydrophobicContact CD1-CG1 3.76Å; L37-V108 HydrophobicContact CG-CG1 4.13Å; L68-V108 HydrophobicContact CD1-CG1 4.27Å; W75-V108 HydrophobicContact CH2-CG2 4.27Å; W75-V108 HydrophobicContact CZ3-CG2 4.08Å; V106-V108 HydrophobicContact CG1-CG2 3.98Å; V108-L110 HydrophobicContact CG1-CD2 4.08Å; V108-L110 HydrophobicContact CG1-CG 4.37Å |
| 109 | L | 98.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 114.2 | 172.3 | -52.5 | 179.2 | 0 | 0 | 0 | 108.9 | T7 C21 L24 V34 L35 L37 I107 L203 | T7-L109 HydrophobicContact CG2-CD2 4.17Å; C21-L109 HydrophobicContact CB-CD1 4.37Å; L24-L109 HydrophobicContact CB-CD1 3.62Å; L24-L109 HydrophobicContact CD1-CD1 3.87Å; L24-L109 HydrophobicContact CD1-CD2 4.12Å; L24-L109 HydrophobicContact CG-CD1 4.43Å; V34-L109 HydrophobicContact CG1-CD1 3.68Å; V34-L109 HydrophobicContact CG1-CG 4Å; L35-L109 PolarHBondContact O-N 3.37Å; L37-L109 PolarHBondContact N-O 3.5Å; I107-L109 HydrophobicContact CG2-CD2 3.99Å; L109-L203 HydrophobicContact CD2-CD1 4.09Å |
| 110 | L | 98.6 | Very high | 94 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 109.2 | 173.9 | -60.1 | 167.2 | 0 | 0 | 0 | 107.6 | T7 T8 V9 L37 Y39 L68 V108 F114 I123 | T7-L110 PolarHBondContact O-N 2.8Å; T8-L110 HydrophobicContact CG2-CD1 4.33Å; V9-L110 PolarHBondContact N-O 2.98Å; L37-L110 HydrophobicContact CB-CD2 4.14Å; L37-L110 HydrophobicContact CD1-CD2 3.94Å; Y39-L110 HydrophobicContact CE2-CB 4.2Å; Y39-L110 HydrophobicContact CE2-CD2 4.17Å; L68-L110 HydrophobicContact CD2-CD1 4.11Å; L68-L110 HydrophobicContact CD2-CD2 3.86Å; V108-L110 HydrophobicContact CG1-CD2 4.08Å; V108-L110 HydrophobicContact CG1-CG 4.37Å; L110-F114 HydrophobicContact CB-CE2 3.85Å; L110-F114 HydrophobicContact CB-CZ 3.85Å; L110-F114 VanDerWaalsContact O-CE2 3.32Å; L110-F114 WeakPolarHBondContact O-CE2 3.45Å; L110-I123 HydrophobicContact CD1-CB 4.31Å; L110-I123 HydrophobicContact CD1-CD1 3.86Å; L110-I123 HydrophobicContact CD1-CG1 3.91Å; L110-I123 HydrophobicContact CD1-CG2 3.44Å; L110-I123 VanDerWaalsContact CD1-CG2 3.44Å |
| 111 | D | 97.1 | Very high | 94.1 | Very high | 5 Ų | 5 | 37.4 Ų | 37.4 | 3% | 0.027 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 104.3 | 180 | -175.3 | 14.9 | 0 | 0 | 0 | 110.5 | K17 S18 L37 Y39 | K17-D111 WeakPolarHBondContact CB-OD1 3.42Å; K17-D111 WeakPolarHBondContact CE-OD1 3.29Å; S18-D111 WeakPolarHBondContact CA-OD2 3.48Å; S18-D111 WeakPolarHBondContact CB-OD2 3.32Å; S18-D111 PolarHBondContact OG-OD2 3.41Å; L37-D111 PolarHBondContact O-N 3.23Å; Y39-D111 WeakPolarHBondContact CD2-O 3.44Å; Y39-D111 PolarHBondContact N-O 3.13Å |
| 112 | D | 95.2 | Very high | 94.2 | Very high | 6 Ų | 6 | 37.9 Ų | 37.9 | 3% | 0.032 | 20% | 0.197 | C | C | . | . | S | Bend | trans | -152.2 | 170.3 | 171.6 | -168.8 | -0.7 | 0 | 0 | 0 | 107.4 | K17 Y39 R61 F114 | K17-D112 WeakPolarHBondContact CE-O 3.2Å; Y39-D112 HydrophobicContact CD1-CB 4.27Å; Y39-D112 HydrophobicContact CD2-CB 3.87Å; Y39-D112 HydrophobicContact CE2-CB 4.34Å; Y39-D112 HydrophobicContact CG-CB 3.82Å; R61-D112 IonicContact CZ-OD1 2.96Å; R61-D112 IonicContact CZ-OD2 2.65Å; R61-D112 IonicContact NE-OD1 3.62Å; R61-D112 IonicContact NE-OD2 2.75Å; R61-D112 PolarHBondContact NE-OD2 2.89Å; R61-D112 VanDerWaalsContact NH2-CG 3.26Å; R61-D112 IonicContact NH2-OD1 3.21Å; R61-D112 PolarHBondContact NH2-OD1 3.49Å; R61-D112 IonicContact NH2-OD2 3.69Å; R61-D112 PolarHBondContact NH2-OD2 2.61Å; D112-F114 VanDerWaalsContact C-N 3.29Å; D112-F114 HydrophobicContact CB-CD2 3.76Å; D112-F114 HydrophobicContact CB-CE2 3.54Å; D112-F114 HydrophobicContact CB-CG 4.38Å; D112-F114 HydrophobicContact CB-CZ 4.01Å; D112-F114 WeakPolarHBondContact O-CD2 3.42Å; D112-F114 PolarHBondContact O-N 3.18Å |
| 113 | N | 93.6 | Very high | 94.6 | Very high | 27 Ų | 27 | 30.6 Ų | 30.6 | 14% | 0.144 | 16% | 0.158 | C | C | . | . | trans | -64.3 | -30.8 | 177.2 | 50.8 | 44.7 | 0 | 0 | 0 | 113.9 | G11 R61 Y115 M165 | G11-N113 PolarHBondContact N-O 2.87Å; G11-N113 VanDerWaalsContact N-O 3.11Å; G11-N113 WeakPolarHBondContact O-CA 3.47Å; R61-N113 VanDerWaalsContact NH2-CG 3.32Å; R61-N113 PolarHBondContact NH2-ND2 3.35Å; R61-N113 VanDerWaalsContact NH2-ND2 3.17Å; R61-N113 PolarHBondContact NH2-OD1 3.41Å; N113-Y115 HydrophobicContact CB-CD1 4.4Å; N113-Y115 PolarHBondContact O-N 3.36Å; N113-Y115 VanDerWaalsContact OD1-CD1 3.25Å; N113-Y115 WeakPolarHBondContact OD1-CD1 3.19Å; N113-M165 HydrophobicContact CB-CE 3.62Å; N113-M165 WeakPolarHBondContact ND2-CE 3.3Å | ||
| 114 | F | 95.2 | Very high | 94.7 | Very high | 4 Ų | 4 | 30.3 Ų | 30.3 | 2% | 0.018 | 15% | 0.152 | C | C | . | . | trans | 43.2 | 38.3 | 179.8 | -73 | -70 | 0 | 0 | 0 | 114.2 | T8 L10 Y39 L110 D112 Y116 M119 R120 I123 | T8-F114 HydrophobicContact CG2-CD1 4.2Å; T8-F114 HydrophobicContact CG2-CD2 4.35Å; T8-F114 HydrophobicContact CG2-CE1 3.99Å; T8-F114 HydrophobicContact CG2-CE2 4.14Å; T8-F114 HydrophobicContact CG2-CG 4.39Å; T8-F114 HydrophobicContact CG2-CZ 3.97Å; L10-F114 HydrophobicContact CB-CB 3.54Å; Y39-F114 HydrophobicContact CE2-CZ 4.05Å; L110-F114 HydrophobicContact CB-CE2 3.85Å; L110-F114 HydrophobicContact CB-CZ 3.85Å; L110-F114 VanDerWaalsContact O-CE2 3.32Å; L110-F114 WeakPolarHBondContact O-CE2 3.45Å; D112-F114 VanDerWaalsContact C-N 3.29Å; D112-F114 HydrophobicContact CB-CD2 3.76Å; D112-F114 HydrophobicContact CB-CE2 3.54Å; D112-F114 HydrophobicContact CB-CG 4.38Å; D112-F114 HydrophobicContact CB-CZ 4.01Å; D112-F114 WeakPolarHBondContact O-CD2 3.42Å; D112-F114 PolarHBondContact O-N 3.18Å; F114-Y116 VanDerWaalsContact C-N 3.29Å; F114-Y116 PolarHBondContact O-N 3.12Å; F114-M119 HydrophobicContact CD1-CB 3.9Å; F114-R120 HydrophobicContact CB-CG 3.94Å; F114-R120 HydrophobicContact CD1-CG 4.21Å; F114-R120 HydrophobicContact CG-CG 4.35Å; F114-R120 PolarHBondContact O-NH1 2.68Å; F114-I123 HydrophobicContact CE1-CG1 3.99Å; F114-I123 HydrophobicContact CZ-CG1 4.4Å | ||
| 115 | Y | 92.9 | Very high | 94.7 | Very high | 40 Ų | 40 | 24.9 Ų | 24.9 | 16% | 0.157 | 13% | 0.131 | C | C | . | . | trans | -74.3 | -15.1 | -171.8 | 73 | -82.4 | 0 | 0 | 0 | 114.3 | N113 M119 M165 K168 E170 | N113-Y115 HydrophobicContact CB-CD1 4.4Å; N113-Y115 PolarHBondContact O-N 3.36Å; N113-Y115 VanDerWaalsContact OD1-CD1 3.25Å; N113-Y115 WeakPolarHBondContact OD1-CD1 3.19Å; Y115-M119 HydrophobicContact CE1-CE 4.38Å; Y115-M165 HydrophobicContact CD1-CE 4.03Å; Y115-M165 HydrophobicContact CE1-CE 4.46Å; Y115-M165 HydrophobicContact CG-CE 4.47Å; Y115-K168 HydrophobicContact CD2-CB 4.36Å; Y115-K168 HydrophobicContact CE2-CB 4.25Å; Y115-E170 PolarHBondContact O-N 3.19Å | ||
| 116 | Y | 90.6 | Very high | 94.6 | Very high | 60 Ų | 60 | 23.3 Ų | 23.3 | 24% | 0.235 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -101.1 | 137.3 | 170.3 | -68.2 | -53.8 | 0 | 0 | 0 | 111.3 | F114 S118 M119 K168 | F114-Y116 VanDerWaalsContact C-N 3.29Å; F114-Y116 PolarHBondContact O-N 3.12Å; Y116-S118 PolarHBondContact O-N 2.68Å; Y116-M119 HydrophobicContact CD2-CE 3.67Å; Y116-M119 HydrophobicContact CD2-SD 4.22Å; Y116-M119 HydrophobicContact CE2-CE 4.45Å; Y116-M119 WeakPolarHBondContact O-CB 3.16Å; Y116-M119 PolarHBondContact O-N 3.13Å; Y116-K168 HydrophobicContact CE1-CB 4.33Å |
| 117 | C | 90 | Very high | 94.6 | Very high | 24 Ų | 24 | 23.3 Ų | 23.3 | 16% | 0.162 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -54.8 | -38.3 | 172.9 | 175.9 | 0 | 0 | 0 | 0 | 111.7 | M119 R120 R121 E170 | C117-M119 VanDerWaalsContact C-N 3.27Å; C117-M119 PolarHBondContact O-N 3.49Å; C117-R120 PolarHBondContact O-N 3.31Å; C117-R121 WeakPolarHBondContact O-CB 3.34Å; C117-R121 PolarHBondContact O-N 2.92Å; C117-E170 HydrophobicContact CB-CB 4.25Å; C117-E170 WeakPolarHBondContact CB-OE2 3.49Å; C117-E170 PolarHBondContact N-OE2 2.92Å |
| 118 | S | 88.8 | Confident | 94.4 | Very high | 81 Ų | 81 | 25.4 Ų | 25.4 | 57% | 0.566 | 13% | 0.131 | S | C | * | . | H | α-helix | trans | -60.7 | -31.8 | 177.2 | 61.4 | 0 | 0 | 0 | 0 | 113.9 | Y116 S122 | Y116-S118 PolarHBondContact O-N 2.68Å; S118-S122 PolarHBondContact O-N 2.67Å; S118-S122 VanDerWaalsContact O-N 3.16Å |
| 119 | M | 90.3 | Very high | 94.1 | Very high | 41 Ų | 41 | 31.5 Ų | 31.5 | 20% | 0.202 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -69.2 | -46.1 | 176.5 | -65.4 | 172.5 | 171.7 | 0 | 0 | 110.8 | F114 Y115 Y116 C117 S122 | F114-M119 HydrophobicContact CD1-CB 3.9Å; Y115-M119 HydrophobicContact CE1-CE 4.38Å; Y116-M119 HydrophobicContact CD2-CE 3.67Å; Y116-M119 HydrophobicContact CD2-SD 4.22Å; Y116-M119 HydrophobicContact CE2-CE 4.45Å; Y116-M119 WeakPolarHBondContact O-CB 3.16Å; Y116-M119 PolarHBondContact O-N 3.13Å; C117-M119 VanDerWaalsContact C-N 3.27Å; C117-M119 PolarHBondContact O-N 3.49Å; M119-S122 WeakPolarHBondContact O-CB 3.36Å; M119-S122 PolarHBondContact O-N 3.21Å |
| 120 | R | 95.4 | Very high | 93.9 | Very high | 1 Ų | 1 | 32.9 Ų | 32.9 | 0% | 0.004 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -64.6 | -41.3 | 176.3 | -66.8 | -167.1 | -54.9 | -89 | 6.6 | 112 | F114 C117 S122 I123 Y124 Y134 E170 W179 E180 | F114-R120 HydrophobicContact CB-CG 3.94Å; F114-R120 HydrophobicContact CD1-CG 4.21Å; F114-R120 HydrophobicContact CG-CG 4.35Å; F114-R120 PolarHBondContact O-NH1 2.68Å; C117-R120 PolarHBondContact O-N 3.31Å; R120-S122 VanDerWaalsContact C-N 3.25Å; R120-S122 PolarHBondContact O-N 3.41Å; R120-I123 PolarHBondContact O-N 3.42Å; R120-Y124 PolarHBondContact O-N 3.04Å; R120-Y134 WeakPolarHBondContact CB-OH 3.5Å; R120-E170 VanDerWaalsContact CZ-O 3.26Å; R120-E170 PolarHBondContact NH1-O 3.48Å; R120-E170 PolarHBondContact NH2-O 2.85Å; R120-W179 HydrophobicContact CB-CH2 3.69Å; R120-W179 HydrophobicContact CB-CZ3 4.12Å; R120-E180 IonicContact CZ-OE1 2.76Å; R120-E180 VanDerWaalsContact CZ-OE1 3.24Å; R120-E180 IonicContact NE-OE1 3.87Å; R120-E180 PolarHBondContact NE-OE1 3.32Å; R120-E180 IonicContact NH2-OE1 3.73Å; R120-E180 PolarHBondContact NH2-OE1 3.33Å |
| 121 | R | 91.5 | Very high | 93.7 | Very high | 65 Ų | 65 | 35.7 Ų | 35.7 | 25% | 0.245 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.8 | -41.8 | 174.1 | 170.5 | 67.2 | 75 | -148.3 | -0.7 | 111.8 | C117 I123 Y124 N125 W179 | C117-R121 WeakPolarHBondContact O-CB 3.34Å; C117-R121 PolarHBondContact O-N 2.92Å; R121-I123 VanDerWaalsContact C-N 3.27Å; R121-I123 PolarHBondContact O-N 3.33Å; R121-Y124 PolarHBondContact O-N 3.31Å; R121-N125 WeakPolarHBondContact O-CB 3.47Å; R121-N125 VanDerWaalsContact O-CG 3.25Å; R121-N125 PolarHBondContact O-N 3.46Å; R121-W179 HydrophobicContact CB-CH2 4.11Å; R121-W179 HydrophobicContact CB-CZ2 4.32Å; R121-W179 VanDerWaalsContact CZ-CD1 3.48Å; R121-W179 VanDerWaalsContact N-CH2 3.34Å; R121-W179 VanDerWaalsContact NH1-NE1 3.12Å; R121-W179 VanDerWaalsContact NH2-CE2 3.28Å |
| 122 | S | 94.6 | Very high | 93.6 | Very high | 53 Ų | 53 | 35.5 Ų | 35.5 | 37% | 0.371 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 178 | -169.3 | 0 | 0 | 0 | 0 | 111.8 | S118 M119 R120 L126 | S118-S122 PolarHBondContact O-N 2.67Å; S118-S122 VanDerWaalsContact O-N 3.16Å; M119-S122 WeakPolarHBondContact O-CB 3.36Å; M119-S122 PolarHBondContact O-N 3.21Å; R120-S122 VanDerWaalsContact C-N 3.25Å; R120-S122 PolarHBondContact O-N 3.41Å; S122-L126 PolarHBondContact O-N 3.3Å; S122-L126 VanDerWaalsContact O-N 3.13Å |
| 123 | I | 97.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 35.3 Ų | 35.3 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -71.8 | -43.3 | 177.7 | -54.9 | -52.3 | 0 | 0 | 0 | 111.5 | L6 T8 V65 L110 F114 R120 R121 N125 L126 A127 Y134 | L6-I123 HydrophobicContact CB-CG2 3.87Å; L6-I123 HydrophobicContact CD1-CG2 4Å; T8-I123 HydrophobicContact CG2-CB 3.93Å; T8-I123 HydrophobicContact CG2-CG1 3.84Å; T8-I123 HydrophobicContact CG2-CG2 3.95Å; V65-I123 HydrophobicContact CG2-CD1 3.74Å; L110-I123 HydrophobicContact CD1-CB 4.31Å; L110-I123 HydrophobicContact CD1-CD1 3.86Å; L110-I123 HydrophobicContact CD1-CG1 3.91Å; L110-I123 HydrophobicContact CD1-CG2 3.44Å; L110-I123 VanDerWaalsContact CD1-CG2 3.44Å; F114-I123 HydrophobicContact CE1-CG1 3.99Å; F114-I123 HydrophobicContact CZ-CG1 4.4Å; R120-I123 PolarHBondContact O-N 3.42Å; R121-I123 VanDerWaalsContact C-N 3.27Å; R121-I123 PolarHBondContact O-N 3.33Å; I123-N125 VanDerWaalsContact C-N 3.3Å; I123-N125 PolarHBondContact O-N 2.85Å; I123-L126 WeakPolarHBondContact O-CB 3.36Å; I123-L126 PolarHBondContact O-N 3.08Å; I123-L126 VanDerWaalsContact O-N 3.16Å; I123-A127 PolarHBondContact O-N 3.11Å; I123-Y134 HydrophobicContact CB-CE2 4.01Å; I123-Y134 HydrophobicContact CG2-CD2 4.07Å; I123-Y134 HydrophobicContact CG2-CE2 3.8Å |
| 124 | Y | 95.6 | Very high | 93.9 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 6% | 0.063 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -56.8 | -44.8 | 174.1 | 169.6 | -92.8 | 0 | 0 | 0 | 111.9 | R120 R121 L126 A127 R128 Y134 W179 I211 | R120-Y124 PolarHBondContact O-N 3.04Å; R121-Y124 PolarHBondContact O-N 3.31Å; Y124-L126 VanDerWaalsContact C-N 3.28Å; Y124-L126 PolarHBondContact O-N 2.87Å; Y124-A127 PolarHBondContact O-N 3.38Å; Y124-R128 WeakPolarHBondContact O-CB 3.42Å; Y124-R128 PolarHBondContact O-N 2.77Å; Y124-Y134 AromaticContact CD2-CD1 3.76Å; Y124-Y134 HydrophobicContact CD2-CD1 3.76Å; Y124-Y134 HydrophobicContact CD2-CE1 4.45Å; Y124-Y134 AromaticContact CD2-CG 3.92Å; Y124-Y134 HydrophobicContact CD2-CG 3.92Å; Y124-Y134 HydrophobicContact CG-CD1 4.45Å; Y124-W179 VanDerWaalsContact CB-CE3 3.5Å; Y124-W179 HydrophobicContact CD1-CB 4.26Å; Y124-W179 HydrophobicContact CD1-CE3 4.16Å; Y124-W179 HydrophobicContact CD2-CB 3.96Å; Y124-W179 AromaticContact CD2-CE3 3.81Å; Y124-W179 HydrophobicContact CD2-CE3 3.81Å; Y124-W179 HydrophobicContact CE1-CB 3.94Å; Y124-W179 HydrophobicContact CE2-CB 3.61Å; Y124-W179 HydrophobicContact CG-CB 4.27Å; Y124-W179 HydrophobicContact CG-CD2 4.28Å; Y124-W179 AromaticContact CG-CE3 3.53Å; Y124-W179 HydrophobicContact CG-CE3 3.53Å; Y124-W179 HydrophobicContact CG-CZ3 4.23Å; Y124-I211 HydrophobicContact CD2-CD1 3.64Å; Y124-I211 HydrophobicContact CE2-CD1 3.43Å; Y124-I211 VanDerWaalsContact CE2-CD1 3.43Å; Y124-I211 HydrophobicContact CE2-CG1 4.07Å; Y124-I211 HydrophobicContact CE2-CG2 4.39Å |
| 125 | N | 93.5 | Very high | 93.9 | Very high | 56 Ų | 56 | 34.2 Ų | 34.2 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -63.6 | -37.3 | 178.3 | -74.7 | -13.7 | 0 | 0 | 0 | 111.7 | R121 I123 R128 K129 | R121-N125 WeakPolarHBondContact O-CB 3.47Å; R121-N125 VanDerWaalsContact O-CG 3.25Å; R121-N125 PolarHBondContact O-N 3.46Å; I123-N125 VanDerWaalsContact C-N 3.3Å; I123-N125 PolarHBondContact O-N 2.85Å; N125-R128 PolarHBondContact O-N 3.38Å; N125-R128 PolarHBondContact OD1-NH2 3.43Å; N125-K129 WeakPolarHBondContact O-CB 3.32Å; N125-K129 PolarHBondContact O-N 3.36Å |
| 126 | L | 94.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 32.3 Ų | 32.3 | 5% | 0.047 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -66.5 | -46.5 | 174.3 | -178.1 | 61 | 0 | 0 | 0 | 111.5 | L6 V65 L68 E69 L72 S122 I123 Y124 R128 K129 Y130 | L6-L126 HydrophobicContact CD1-CD2 4.4Å; L6-L126 HydrophobicContact CD1-CG 4.34Å; V65-L126 HydrophobicContact CG1-CD2 4.08Å; L68-L126 HydrophobicContact CB-CD2 4.2Å; L68-L126 HydrophobicContact CD2-CD2 3.86Å; L68-L126 HydrophobicContact CG-CD2 3.87Å; E69-L126 HydrophobicContact CB-CD1 3.62Å; E69-L126 HydrophobicContact CB-CD2 4.29Å; E69-L126 HydrophobicContact CG-CD1 3.87Å; L72-L126 HydrophobicContact CD1-CD1 4.17Å; L72-L126 HydrophobicContact CD1-CD2 3.85Å; L72-L126 HydrophobicContact CD1-CG 3.69Å; S122-L126 PolarHBondContact O-N 3.3Å; S122-L126 VanDerWaalsContact O-N 3.13Å; I123-L126 WeakPolarHBondContact O-CB 3.36Å; I123-L126 PolarHBondContact O-N 3.08Å; I123-L126 VanDerWaalsContact O-N 3.16Å; Y124-L126 VanDerWaalsContact C-N 3.28Å; Y124-L126 PolarHBondContact O-N 2.87Å; L126-R128 VanDerWaalsContact C-N 3.29Å; L126-R128 PolarHBondContact O-N 3.18Å; L126-K129 PolarHBondContact O-N 2.93Å; L126-Y130 HydrophobicContact CD1-CD2 3.77Å; L126-Y130 HydrophobicContact CD1-CE2 3.66Å; L126-Y130 PolarHBondContact O-N 3.22Å |
| 127 | A | 96.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.2 | -45.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | L6 I123 Y124 K129 Y130 S131 C132 I211 | L6-A127 HydrophobicContact CB-CB 4.37Å; L6-A127 HydrophobicContact CD1-CB 3.86Å; L6-A127 HydrophobicContact CG-CB 4.21Å; I123-A127 PolarHBondContact O-N 3.11Å; Y124-A127 PolarHBondContact O-N 3.38Å; A127-K129 PolarHBondContact O-N 3.44Å; A127-Y130 PolarHBondContact O-N 3.21Å; A127-S131 PolarHBondContact O-N 3.01Å; A127-S131 VanDerWaalsContact O-N 3.12Å; A127-C132 HydrophobicContact CB-CB 4.09Å; A127-C132 PolarHBondContact O-N 3.41Å; A127-I211 HydrophobicContact CB-CD1 3.83Å |
| 128 | R | 93.1 | Very high | 94.5 | Very high | 45 Ų | 45 | 28.4 Ų | 28.4 | 17% | 0.17 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.5 | -50.2 | 175 | 177.2 | 178.9 | 65.3 | 179.9 | -3.8 | 112.4 | Y124 N125 L126 Y130 S131 I211 N213 S216 E220 | Y124-R128 WeakPolarHBondContact O-CB 3.42Å; Y124-R128 PolarHBondContact O-N 2.77Å; N125-R128 PolarHBondContact O-N 3.38Å; N125-R128 PolarHBondContact OD1-NH2 3.43Å; L126-R128 VanDerWaalsContact C-N 3.29Å; L126-R128 PolarHBondContact O-N 3.18Å; R128-Y130 PolarHBondContact O-N 3.21Å; R128-Y130 VanDerWaalsContact O-N 3.13Å; R128-S131 PolarHBondContact O-N 3Å; R128-I211 HydrophobicContact CB-CB 4.4Å; R128-I211 HydrophobicContact CB-CD1 4.31Å; R128-I211 HydrophobicContact CB-CG2 3.95Å; R128-I211 HydrophobicContact CG-CG2 3.94Å; R128-N213 WeakPolarHBondContact CG-OD1 3.49Å; R128-S216 WeakPolarHBondContact CD-OG 3.46Å; R128-S216 PolarHBondContact NH1-OG 3.17Å; R128-E220 IonicContact CZ-OE1 2.86Å; R128-E220 IonicContact NH1-OE1 3.18Å; R128-E220 PolarHBondContact NH1-OE1 2.76Å; R128-E220 IonicContact NH1-OE2 2.68Å; R128-E220 IonicContact NH2-OE1 3.38Å; R128-E220 PolarHBondContact NH2-OE1 2.94Å |
| 129 | K | 92.2 | Very high | 94.7 | Very high | 128 Ų | 128 | 24.9 Ų | 24.9 | 56% | 0.557 | 12% | 0.124 | S | C | * | . | H | α-helix | trans | -53.6 | -36.2 | -177.1 | 179 | 175.6 | 174.4 | 179.6 | 0 | 112.3 | E69 N125 L126 A127 | E69-K129 WeakPolarHBondContact OE1-CD 3.36Å; E69-K129 WeakPolarHBondContact OE1-CE 3.4Å; E69-K129 IonicContact OE1-NZ 2.76Å; E69-K129 PolarHBondContact OE1-NZ 2.66Å; N125-K129 WeakPolarHBondContact O-CB 3.32Å; N125-K129 PolarHBondContact O-N 3.36Å; L126-K129 PolarHBondContact O-N 2.93Å; A127-K129 PolarHBondContact O-N 3.44Å |
| 130 | Y | 94 | Very high | 94.8 | Very high | 28 Ų | 28 | 26.9 Ų | 26.9 | 11% | 0.11 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 13.4 | -178.4 | -69.4 | -84.4 | 0 | 0 | 0 | 113.8 | E69 L72 A73 K76 F78 L126 A127 R128 C132 | E69-Y130 HydrophobicContact CG-CE2 3.76Å; E69-Y130 WeakPolarHBondContact CG-OH 3.23Å; L72-Y130 HydrophobicContact CB-CD1 4.2Å; L72-Y130 HydrophobicContact CB-CD2 4.09Å; L72-Y130 HydrophobicContact CB-CG 3.91Å; L72-Y130 HydrophobicContact CD1-CD2 4.26Å; A73-Y130 HydrophobicContact CB-CE1 3.75Å; K76-Y130 HydrophobicContact CB-CD1 4.48Å; K76-Y130 WeakPolarHBondContact CE-O 3.48Å; K76-Y130 HydrophobicContact CG-CD1 4.23Å; K76-Y130 PolarHBondContact NZ-O 3.29Å; F78-Y130 HydrophobicContact CD2-CD1 4.16Å; F78-Y130 AromaticContact CD2-CE1 4Å; F78-Y130 HydrophobicContact CD2-CE1 4Å; F78-Y130 HydrophobicContact CE2-CD1 4.1Å; F78-Y130 HydrophobicContact CE2-CE1 4.28Å; L126-Y130 HydrophobicContact CD1-CD2 3.77Å; L126-Y130 HydrophobicContact CD1-CE2 3.66Å; L126-Y130 PolarHBondContact O-N 3.22Å; A127-Y130 PolarHBondContact O-N 3.21Å; R128-Y130 PolarHBondContact O-N 3.21Å; R128-Y130 VanDerWaalsContact O-N 3.13Å; Y130-C132 VanDerWaalsContact C-N 3.27Å; Y130-C132 PolarHBondContact O-N 3.08Å |
| 131 | S | 94.2 | Very high | 94.6 | Very high | 60 Ų | 60 | 27.8 Ų | 27.8 | 42% | 0.42 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 50 | -177.3 | -55.3 | 0 | 0 | 0 | 0 | 112.1 | K76 A127 R128 P210 | K76-S131 PolarHBondContact NZ-O 3.08Å; A127-S131 PolarHBondContact O-N 3.01Å; A127-S131 VanDerWaalsContact O-N 3.12Å; R128-S131 PolarHBondContact O-N 3Å; S131-P210 WeakPolarHBondContact O-CB 3.25Å |
| 132 | C | 96.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 27.2 Ų | 27.2 | 1% | 0.007 | 15% | 0.148 | C | C | . | . | trans | -102 | 164.7 | 172 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | V4 K76 A127 Y130 I211 | V4-C132 HydrophobicContact CB-CB 4.24Å; V4-C132 WeakPolarHBondContact O-CB 3.16Å; K76-C132 VanDerWaalsContact CE-SG 3.56Å; A127-C132 HydrophobicContact CB-CB 4.09Å; A127-C132 PolarHBondContact O-N 3.41Å; Y130-C132 VanDerWaalsContact C-N 3.27Å; Y130-C132 PolarHBondContact O-N 3.08Å; C132-I211 WeakPolarHBondContact O-CG1 3.48Å; C132-I211 PolarHBondContact O-N 2.94Å | ||
| 133 | S | 97 | Very high | 94.6 | Very high | 2 Ų | 2 | 25.7 Ų | 25.7 | 1% | 0.014 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 158 | 171.8 | -50.3 | 0 | 0 | 0 | 0 | 110.4 | V4 L6 L206 Q209 P210 | V4-S133 PolarHBondContact O-N 2.93Å; L6-S133 PolarHBondContact N-O 2.87Å; S133-L206 WeakPolarHBondContact CB-O 3.42Å; S133-L206 PolarHBondContact OG-O 3.29Å; S133-Q209 PolarHBondContact OG-O 2.97Å; S133-Q209 VanDerWaalsContact OG-O 3.1Å; S133-P210 WeakPolarHBondContact OG-CA 3.34Å |
| 134 | Y | 96.8 | Very high | 94.5 | Very high | 6 Ų | 6 | 31.2 Ų | 31.2 | 2% | 0.024 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 138.5 | 179.3 | 176.3 | -99.6 | 0 | 0 | 0 | 110.7 | L6 T8 R120 I123 Y124 S136 W179 | L6-Y134 WeakPolarHBondContact O-CA 3.14Å; T8-Y134 HydrophobicContact CG2-CE2 3.95Å; T8-Y134 PolarHBondContact OG1-OH 3.45Å; T8-Y134 VanDerWaalsContact OG1-OH 3.08Å; R120-Y134 WeakPolarHBondContact CB-OH 3.5Å; I123-Y134 HydrophobicContact CB-CE2 4.01Å; I123-Y134 HydrophobicContact CG2-CD2 4.07Å; I123-Y134 HydrophobicContact CG2-CE2 3.8Å; Y124-Y134 AromaticContact CD2-CD1 3.76Å; Y124-Y134 HydrophobicContact CD2-CD1 3.76Å; Y124-Y134 HydrophobicContact CD2-CE1 4.45Å; Y124-Y134 AromaticContact CD2-CG 3.92Å; Y124-Y134 HydrophobicContact CD2-CG 3.92Å; Y124-Y134 HydrophobicContact CG-CD1 4.45Å; Y134-S136 WeakPolarHBondContact CE1-OG 3.29Å; Y134-S136 PolarHBondContact OH-OG 3.28Å; Y134-W179 HydrophobicContact CD1-CE3 4.41Å; Y134-W179 AromaticContact CE1-CE3 3.87Å; Y134-W179 HydrophobicContact CE1-CE3 3.87Å; Y134-W179 AromaticContact CE1-CZ3 3.74Å; Y134-W179 HydrophobicContact CE1-CZ3 3.74Å; Y134-W179 AromaticContact CZ-CZ3 3.9Å |
| 135 | A | 96.3 | Very high | 94.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.8 | 160.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V5 L6 T7 T8 H182 L203 L206 | V5-A135 HydrophobicContact CG1-CB 4.38Å; L6-A135 PolarHBondContact O-N 3.2Å; T7-A135 WeakPolarHBondContact CA-O 3.37Å; T7-A135 HydrophobicContact CG2-CB 4.29Å; T8-A135 PolarHBondContact N-O 3.22Å; A135-H182 CarbonylContact C-O 3.58Å; A135-H182 VanDerWaalsContact CA-O 3.29Å; A135-H182 WeakPolarHBondContact CA-O 3.37Å; A135-H182 HydrophobicContact CB-CB 4.34Å; A135-L203 HydrophobicContact CB-CD2 3.83Å; A135-L206 HydrophobicContact CB-CD1 3.64Å |
| 136 | S | 96.7 | Very high | 94.5 | Very high | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.007 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 137.8 | 170.7 | -51.3 | 0 | 0 | 0 | 0 | 110 | T8 Y134 H182 T183 I184 | T8-S136 CarbonylContact O-C 3.57Å; T8-S136 WeakPolarHBondContact O-CA 3.41Å; T8-S136 PolarHBondContact OG1-OG 2.84Å; Y134-S136 WeakPolarHBondContact CE1-OG 3.29Å; Y134-S136 PolarHBondContact OH-OG 3.28Å; S136-H182 PolarHBondContact N-O 3.28Å; S136-T183 CarbonylContact O-C 3.59Å; S136-T183 VanDerWaalsContact O-CA 3.3Å; S136-T183 WeakPolarHBondContact O-CA 3.17Å; S136-I184 PolarHBondContact O-N 3.33Å |
| 137 | I | 94.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 30.2 Ų | 30.2 | 1% | 0.01 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 105 | 172.8 | -60.1 | 166.5 | 0 | 0 | 0 | 108 | T7 T8 V9 L10 L20 L24 C139 I184 I186 L199 L203 | T7-I137 HydrophobicContact CG2-CD1 3.53Å; T7-I137 HydrophobicContact CG2-CG1 3.81Å; T8-I137 PolarHBondContact O-N 3.16Å; V9-I137 HydrophobicContact CG1-CB 4.42Å; V9-I137 HydrophobicContact CG2-CB 4.41Å; V9-I137 HydrophobicContact CG2-CD1 4.16Å; L10-I137 VanDerWaalsContact CD2-C 3.49Å; L10-I137 WeakPolarHBondContact CD2-O 3.49Å; L10-I137 PolarHBondContact N-O 2.84Å; L20-I137 HydrophobicContact CD2-CG2 3.69Å; L24-I137 HydrophobicContact CD1-CD1 4.34Å; I137-C139 PolarHBondContact O-N 3.49Å; I137-I184 CarbonylContact C-O 3.36Å; I137-I184 WeakPolarHBondContact CA-O 3.4Å; I137-I186 HydrophobicContact CG2-CD1 3.47Å; I137-I186 VanDerWaalsContact CG2-CD1 3.47Å; I137-I186 HydrophobicContact CG2-CG1 4.13Å; I137-L199 HydrophobicContact CD1-CD1 4.08Å; I137-L199 HydrophobicContact CD1-CD2 3.89Å; I137-L199 HydrophobicContact CD1-CG 4.17Å; I137-L199 HydrophobicContact CG1-CD1 4.21Å; I137-L199 HydrophobicContact CG2-CD2 4.46Å; I137-L203 HydrophobicContact CD1-CD1 4.27Å |
| 138 | A | 94.2 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 104.8 | 180 | 0 | 0 | 0 | 0 | 0 | 111 | L10 Q140 W171 P172 T183 I184 T185 I186 | L10-A138 HydrophobicContact CD1-CB 4.39Å; L10-A138 HydrophobicContact CD2-CB 4.15Å; L10-A138 HydrophobicContact CG-CB 4.23Å; A138-Q140 PolarHBondContact O-N 3.42Å; A138-W171 HydrophobicContact CB-CE3 4.23Å; A138-W171 HydrophobicContact CB-CZ3 4.13Å; A138-P172 HydrophobicContact CB-CG 4.3Å; A138-T183 HydrophobicContact CB-CG2 4.34Å; A138-I184 PolarHBondContact N-O 2.84Å; A138-T185 HydrophobicContact CB-CG2 4.49Å; A138-T185 CarbonylContact O-C 3.56Å; A138-T185 WeakPolarHBondContact O-CA 3.32Å; A138-I186 PolarHBondContact O-N 3.23Å |
| 139 | C | 93.7 | Very high | 94.7 | Very high | 7 Ų | 7 | 37.7 Ų | 37.7 | 5% | 0.047 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 91.2 | 174.6 | -60.1 | 0 | 0 | 0 | 0 | 109.5 | L10 K17 I137 I186 | L10-C139 WeakPolarHBondContact O-CB 3.35Å; L10-C139 PolarHBondContact O-N 3.3Å; K17-C139 HydrophobicContact CG-CB 4.02Å; I137-C139 PolarHBondContact O-N 3.49Å; C139-I186 CarbonylContact C-O 3.51Å |
| 140 | Q | 91.6 | Very high | 94.8 | Very high | 83 Ų | 83 | 31.6 Ų | 31.6 | 39% | 0.388 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.4 | 173.3 | -75.3 | -174.6 | -7.8 | 0 | 0 | 110 | A138 W171 T185 I186 S187 S188 | A138-Q140 PolarHBondContact O-N 3.42Å; Q140-W171 HydrophobicContact CG-CE3 4.16Å; Q140-W171 HydrophobicContact CG-CH2 3.78Å; Q140-W171 HydrophobicContact CG-CZ2 4.26Å; Q140-W171 HydrophobicContact CG-CZ3 3.73Å; Q140-T185 HydrophobicContact CB-CG2 4.18Å; Q140-T185 HydrophobicContact CG-CG2 3.72Å; Q140-I186 PolarHBondContact N-O 3.36Å; Q140-S187 CarbonylContact O-C 3.52Å; Q140-S187 WeakPolarHBondContact O-CA 3.48Å; Q140-S188 PolarHBondContact O-N 3.42Å |
| 141 | C | 91.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 13% | 0.128 | 19% | 0.194 | C | C | . | . | trans | -150.1 | 138.5 | -178.5 | -178.7 | 0 | 0 | 0 | 0 | 107.8 | M143 T145 C146 | C141-M143 PolarHBondContact O-N 3.3Å; C141-T145 VanDerWaalsContact SG-CG2 3.55Å; C141-C146 VanDerWaalsContact CB-SG 3.56Å; C141-C146 VanDerWaalsContact SG-SG 3.61Å | ||
| 142 | A | 92.7 | Very high | 95 | Very high | 53 Ų | 53 | 39.2 Ų | 39.2 | 44% | 0.438 | 21% | 0.207 | S | C | . | . | trans | -55.6 | 139.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D144 T145 C146 | A142-D144 VanDerWaalsContact C-N 3.31Å; A142-D144 PolarHBondContact O-N 2.88Å; A142-T145 WeakPolarHBondContact O-CB 3.5Å; A142-T145 PolarHBondContact O-N 3.01Å; A142-C146 PolarHBondContact O-N 3.43Å; A142-C146 PolarHBondContact O-SG 3.31Å | ||
| 143 | M | 93.9 | Very high | 94.7 | Very high | 21 Ų | 21 | 43.1 Ų | 43.1 | 10% | 0.103 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -53.9 | -47.7 | -176.1 | 175.8 | 50.1 | 74.9 | 0 | 0 | 112 | L12 C141 T145 C146 I147 I162 E166 | L12-M143 HydrophobicContact CD1-CE 3.57Å; L12-M143 HydrophobicContact CD1-SD 4.47Å; C141-M143 PolarHBondContact O-N 3.3Å; M143-T145 VanDerWaalsContact C-N 3.25Å; M143-T145 PolarHBondContact O-N 2.93Å; M143-C146 WeakPolarHBondContact O-CA 3.39Å; M143-C146 VanDerWaalsContact O-CB 3.3Å; M143-C146 WeakPolarHBondContact O-CB 3.33Å; M143-C146 PolarHBondContact O-N 3.19Å; M143-I147 HydrophobicContact CG-CD1 3.92Å; M143-I147 PolarHBondContact O-N 3.05Å; M143-I147 HydrophobicContact SD-CD1 3.76Å; M143-I147 HydrophobicContact SD-CG1 3.88Å; M143-I162 HydrophobicContact CE-CG2 3.91Å; M143-I162 HydrophobicContact SD-CG2 3.54Å; M143-I162 VanDerWaalsContact SD-CG2 3.54Å; M143-E166 HydrophobicContact CE-CB 3.17Å; M143-E166 HydrophobicContact CE-CG 3.54Å; M143-E166 WeakPolarHBondContact CE-OE1 3.41Å; M143-E166 WeakPolarHBondContact CE-OE2 3.41Å |
| 144 | D | 94.7 | Very high | 94.3 | Very high | 118 Ų | 118 | 49.4 Ų | 49.4 | 63% | 0.631 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -59.5 | -38.3 | 179.6 | -62.1 | -30.5 | 0 | 0 | 0 | 112 | A142 I147 L148 | A142-D144 VanDerWaalsContact C-N 3.31Å; A142-D144 PolarHBondContact O-N 2.88Å; D144-I147 PolarHBondContact O-N 2.93Å; D144-L148 WeakPolarHBondContact O-CB 3.24Å; D144-L148 WeakPolarHBondContact O-CG 3.32Å; D144-L148 PolarHBondContact O-N 3.44Å |
| 145 | T | 94.4 | Very high | 93.8 | Very high | 46 Ų | 46 | 53.8 Ų | 53.8 | 28% | 0.282 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -67.5 | -40.2 | 175.8 | -57.9 | 0 | 0 | 0 | 0 | 111.4 | C141 A142 M143 L148 R149 | C141-T145 VanDerWaalsContact SG-CG2 3.55Å; A142-T145 WeakPolarHBondContact O-CB 3.5Å; A142-T145 PolarHBondContact O-N 3.01Å; M143-T145 VanDerWaalsContact C-N 3.25Å; M143-T145 PolarHBondContact O-N 2.93Å; T145-L148 PolarHBondContact O-N 3.03Å; T145-R149 WeakPolarHBondContact O-CB 3.43Å; T145-R149 WeakPolarHBondContact O-CG 3.5Å; T145-R149 PolarHBondContact O-N 3Å |
| 146 | C | 95.3 | Very high | 93.6 | Very high | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | L12 P13 C141 A142 M143 N150 | L12-C146 HydrophobicContact CB-CB 4.44Å; P13-C146 WeakPolarHBondContact O-CB 3.5Å; C141-C146 VanDerWaalsContact CB-SG 3.56Å; C141-C146 VanDerWaalsContact SG-SG 3.61Å; A142-C146 PolarHBondContact O-N 3.43Å; A142-C146 PolarHBondContact O-SG 3.31Å; M143-C146 WeakPolarHBondContact O-CA 3.39Å; M143-C146 VanDerWaalsContact O-CB 3.3Å; M143-C146 WeakPolarHBondContact O-CB 3.33Å; M143-C146 PolarHBondContact O-N 3.19Å; C146-N150 WeakPolarHBondContact O-CB 3.44Å; C146-N150 PolarHBondContact O-N 3.08Å |
| 147 | I | 96.8 | Very high | 93.3 | Very high | 13 Ų | 13 | 59.5 Ų | 59.5 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.5 | -49.5 | 178.5 | -69.1 | 168.8 | 0 | 0 | 0 | 110.8 | M143 D144 R149 N150 R151 I162 H163 | M143-I147 HydrophobicContact CG-CD1 3.92Å; M143-I147 PolarHBondContact O-N 3.05Å; M143-I147 HydrophobicContact SD-CD1 3.76Å; M143-I147 HydrophobicContact SD-CG1 3.88Å; D144-I147 PolarHBondContact O-N 2.93Å; I147-R149 VanDerWaalsContact C-N 3.33Å; I147-R149 PolarHBondContact O-N 3.43Å; I147-N150 PolarHBondContact O-N 3.45Å; I147-N150 VanDerWaalsContact O-N 3.14Å; I147-R151 WeakPolarHBondContact O-CG 3.18Å; I147-R151 PolarHBondContact O-N 3.13Å; I147-I162 HydrophobicContact CG1-CD1 4.4Å; I147-I162 HydrophobicContact CG1-CG2 4.42Å; I147-H163 WeakPolarHBondContact CD1-NE2 3.22Å |
| 148 | L | 96.2 | Very high | 93.2 | Very high | 116 Ų | 116 | 63.5 Ų | 63.5 | 61% | 0.607 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -56.8 | -46.3 | 179.3 | -73.7 | 171.3 | 0 | 0 | 0 | 111.8 | D144 T145 | D144-L148 WeakPolarHBondContact O-CB 3.24Å; D144-L148 WeakPolarHBondContact O-CG 3.32Å; D144-L148 PolarHBondContact O-N 3.44Å; T145-L148 PolarHBondContact O-N 3.03Å |
| 149 | R | 95.3 | Very high | 93.3 | Very high | 86 Ų | 86 | 65.5 Ų | 65.5 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -70.4 | -33.2 | 176.7 | -70.9 | 173.6 | 177.1 | 172.1 | 0.7 | 113.1 | G14 T145 I147 S152 S188 | G14-R149 WeakPolarHBondContact O-CD 3.2Å; G14-R149 PolarHBondContact O-NH1 3.31Å; T145-R149 WeakPolarHBondContact O-CB 3.43Å; T145-R149 WeakPolarHBondContact O-CG 3.5Å; T145-R149 PolarHBondContact O-N 3Å; I147-R149 VanDerWaalsContact C-N 3.33Å; I147-R149 PolarHBondContact O-N 3.43Å; R149-S152 PolarHBondContact O-N 2.78Å; R149-S152 PolarHBondContact O-OG 2.84Å; R149-S188 VanDerWaalsContact CZ-OG 3.3Å; R149-S188 PolarHBondContact NH1-OG 2.91Å; R149-S188 PolarHBondContact NH2-OG 3.4Å |
| 150 | N | 94.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 70.2 Ų | 70.2 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -65.8 | -42.6 | 177.4 | 174.6 | 73.8 | 0 | 0 | 0 | 111.2 | C146 I147 S152 R153 P156 V157 I162 | C146-N150 WeakPolarHBondContact O-CB 3.44Å; C146-N150 PolarHBondContact O-N 3.08Å; I147-N150 PolarHBondContact O-N 3.45Å; I147-N150 VanDerWaalsContact O-N 3.14Å; N150-S152 PolarHBondContact O-N 3.14Å; N150-R153 VanDerWaalsContact O-CB 3.3Å; N150-R153 WeakPolarHBondContact O-CB 3.44Å; N150-R153 WeakPolarHBondContact O-CG 3.16Å; N150-R153 PolarHBondContact O-N 3.48Å; N150-P156 WeakPolarHBondContact O-CB 3.47Å; N150-V157 PolarHBondContact ND2-O 2.9Å; N150-V157 PolarHBondContact OD1-N 2.92Å; N150-I162 HydrophobicContact CB-CD1 3.55Å; N150-I162 VanDerWaalsContact CG-CD1 3.5Å; N150-I162 WeakPolarHBondContact ND2-CD1 3.45Å |
| 151 | R | 96.1 | Very high | 93.3 | Very high | 150 Ų | 150 | 68.9 Ų | 68.9 | 57% | 0.566 | 39% | 0.389 | S | S | * | . | H | α-helix | trans | -60.1 | -25.4 | 178.7 | -71.5 | 174.6 | -179.8 | 176 | -0.2 | 113.7 | I147 D159 | I147-R151 WeakPolarHBondContact O-CG 3.18Å; I147-R151 PolarHBondContact O-N 3.13Å; R151-D159 IonicContact CZ-OD2 2.94Å; R151-D159 IonicContact NE-OD1 2.66Å; R151-D159 IonicContact NE-OD2 3.15Å; R151-D159 PolarHBondContact NE-OD2 2.99Å; R151-D159 IonicContact NH2-OD2 3.24Å; R151-D159 PolarHBondContact NH2-OD2 3.39Å |
| 152 | S | 94.7 | Very high | 93.5 | Very high | 98 Ų | 98 | 68 Ų | 68 | 69% | 0.685 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | -0.5 | 176.4 | 64.1 | 0 | 0 | 0 | 0 | 114.4 | R149 N150 | R149-S152 PolarHBondContact O-N 2.78Å; R149-S152 PolarHBondContact O-OG 2.84Å; N150-S152 PolarHBondContact O-N 3.14Å |
| 153 | R | 90.8 | Very high | 93.6 | Very high | 83 Ų | 83 | 68.5 Ų | 68.5 | 31% | 0.313 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -73.1 | 153 | 177.1 | -64.9 | 175.6 | 74.4 | -166.8 | 2 | 111.1 | D40 N150 S155 P156 | D40-R153 IonicContact OD2-NH2 3.95Å; N150-R153 VanDerWaalsContact O-CB 3.3Å; N150-R153 WeakPolarHBondContact O-CB 3.44Å; N150-R153 WeakPolarHBondContact O-CG 3.16Å; N150-R153 PolarHBondContact O-N 3.48Å; R153-S155 PolarHBondContact O-N 3.08Å; R153-P156 WeakPolarHBondContact O-CD 3.25Å |
| 154 | P | 88.4 | Confident | 93.5 | Very high | 135 Ų | 135 | 73 Ų | 73 | 88% | 0.877 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -59.2 | -28.7 | 174.3 | -25.5 | 34.5 | 0 | 0 | 0 | 114.4 | ||
| 155 | S | 86.9 | Confident | 93.3 | Very high | 98 Ų | 98 | 68.3 Ų | 68.3 | 69% | 0.685 | 37% | 0.369 | S | S | * | . | S | Bend | trans | -136.5 | 80.6 | 176.9 | -62.5 | 0 | 0 | 0 | 0 | 109.2 | R153 | R153-S155 PolarHBondContact O-N 3.08Š|
| 156 | P | 91.2 | Very high | 93.3 | Very high | 71 Ų | 71 | 70.1 Ų | 70.1 | 46% | 0.461 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 143.5 | -178 | 30.2 | -33.8 | 0 | 0 | 0 | 110.6 | N150 R153 | N150-P156 WeakPolarHBondContact O-CB 3.47Å; R153-P156 WeakPolarHBondContact O-CD 3.25Å |
| 157 | V | 90.4 | Very high | 93.2 | Very high | 51 Ų | 51 | 78.9 Ų | 78.9 | 31% | 0.309 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -82.9 | 154.1 | 165 | -62.3 | 0 | 0 | 0 | 0 | 110 | P13 N150 I162 | P13-V157 HydrophobicContact CB-CG2 4.15Å; P13-V157 HydrophobicContact CG-CG2 4.15Å; N150-V157 PolarHBondContact ND2-O 2.9Å; N150-V157 PolarHBondContact OD1-N 2.92Å; V157-I162 HydrophobicContact CG2-CD1 4.04Å; V157-I162 HydrophobicContact CG2-CG1 3.73Å |
| 158 | P | 94.1 | Very high | 93 | Very high | 86 Ų | 86 | 84 Ų | 84 | 56% | 0.558 | 43% | 0.429 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 142.1 | 175 | -24.9 | 33.8 | 0 | 0 | 0 | 112.4 | D160 T161 I162 | P158-D160 PolarHBondContact O-N 3.35Å; P158-T161 WeakPolarHBondContact O-CA 3.4Å; P158-T161 WeakPolarHBondContact O-CB 3.5Å; P158-T161 PolarHBondContact O-N 3.25Å; P158-I162 PolarHBondContact O-N 3.03Å |
| 159 | D | 95.6 | Very high | 92.8 | Very high | 42 Ų | 42 | 79.3 Ų | 79.3 | 23% | 0.225 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -57.3 | -39.2 | -180 | -63.9 | -10.8 | 0 | 0 | 0 | 112 | R151 T161 I162 H163 | R151-D159 IonicContact CZ-OD2 2.94Å; R151-D159 IonicContact NE-OD1 2.66Å; R151-D159 IonicContact NE-OD2 3.15Å; R151-D159 PolarHBondContact NE-OD2 2.99Å; R151-D159 IonicContact NH2-OD2 3.24Å; R151-D159 PolarHBondContact NH2-OD2 3.39Å; D159-T161 PolarHBondContact O-N 3.22Å; D159-I162 WeakPolarHBondContact O-CA 3.42Å; D159-I162 WeakPolarHBondContact O-CB 3.22Å; D159-I162 PolarHBondContact O-N 3.01Å; D159-H163 PolarHBondContact O-CD2 3.25Å; D159-H163 PolarHBondContact O-N 2.88Å |
| 160 | D | 94.3 | Very high | 92.6 | Very high | 105 Ų | 105 | 79.5 Ų | 79.5 | 56% | 0.561 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -56.4 | -33.1 | 173.6 | -81.5 | -19.2 | 0 | 0 | 0 | 113.1 | P158 K164 | P158-D160 PolarHBondContact O-N 3.35Å; D160-K164 WeakPolarHBondContact O-CB 3.38Å; D160-K164 WeakPolarHBondContact O-CD 3.3Å; D160-K164 WeakPolarHBondContact O-CG 3.24Å; D160-K164 PolarHBondContact O-N 3.43Å |
| 161 | T | 91.6 | Very high | 92.5 | Very high | 55 Ų | 55 | 83.6 Ų | 83.6 | 34% | 0.337 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.6 | -42.1 | 175.8 | -61.2 | 0 | 0 | 0 | 0 | 110 | P158 D159 K164 M165 | P158-T161 WeakPolarHBondContact O-CA 3.4Å; P158-T161 WeakPolarHBondContact O-CB 3.5Å; P158-T161 PolarHBondContact O-N 3.25Å; D159-T161 PolarHBondContact O-N 3.22Å; T161-K164 PolarHBondContact O-N 3.4Å; T161-M165 HydrophobicContact CG2-CG 4.44Å; T161-M165 HydrophobicContact CG2-SD 4.14Å; T161-M165 WeakPolarHBondContact O-CB 3.4Å; T161-M165 VanDerWaalsContact O-CG 3.24Å; T161-M165 WeakPolarHBondContact O-CG 3.47Å; T161-M165 PolarHBondContact O-N 3.48Å |
| 162 | I | 94.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 77.4 Ų | 77.4 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65 | -46.1 | 177.5 | -54.8 | -177.3 | 0 | 0 | 0 | 110.4 | P13 M143 I147 N150 V157 P158 D159 K164 M165 E166 | P13-I162 HydrophobicContact CB-CD1 4.1Å; P13-I162 HydrophobicContact CB-CG1 4.26Å; P13-I162 HydrophobicContact CG-CG1 4.23Å; M143-I162 HydrophobicContact CE-CG2 3.91Å; M143-I162 HydrophobicContact SD-CG2 3.54Å; M143-I162 VanDerWaalsContact SD-CG2 3.54Å; I147-I162 HydrophobicContact CG1-CD1 4.4Å; I147-I162 HydrophobicContact CG1-CG2 4.42Å; N150-I162 HydrophobicContact CB-CD1 3.55Å; N150-I162 VanDerWaalsContact CG-CD1 3.5Å; N150-I162 WeakPolarHBondContact ND2-CD1 3.45Å; V157-I162 HydrophobicContact CG2-CD1 4.04Å; V157-I162 HydrophobicContact CG2-CG1 3.73Å; P158-I162 PolarHBondContact O-N 3.03Å; D159-I162 WeakPolarHBondContact O-CA 3.42Å; D159-I162 WeakPolarHBondContact O-CB 3.22Å; D159-I162 PolarHBondContact O-N 3.01Å; I162-K164 VanDerWaalsContact C-N 3.3Å; I162-K164 PolarHBondContact O-N 2.79Å; I162-M165 WeakPolarHBondContact O-CB 3.39Å; I162-M165 PolarHBondContact O-N 2.84Å; I162-M165 VanDerWaalsContact O-N 3.1Å; I162-E166 PolarHBondContact O-N 3.33Å |
| 163 | H | 94.8 | Very high | 92 | Very high | 64 Ų | 64 | 75.4 Ų | 75.4 | 30% | 0.296 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -35.9 | 174.7 | -73.4 | -59.7 | 0 | 0 | 0 | 113.2 | I147 D159 R167 | I147-H163 WeakPolarHBondContact CD1-NE2 3.22Å; D159-H163 PolarHBondContact O-CD2 3.25Å; D159-H163 PolarHBondContact O-N 2.88Å; H163-R167 WeakPolarHBondContact O-CG 3.48Å; H163-R167 PolarHBondContact O-N 2.59Å; H163-R167 PolarHBondContact O-NE 3.19Å; H163-R167 VanDerWaalsContact O-NE 3.07Å |
| 164 | K | 92.1 | Very high | 91.6 | Very high | 117 Ų | 117 | 73.9 Ų | 73.9 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -70.8 | -36.7 | 174 | -75.4 | 168.6 | -172.8 | 170.8 | 0 | 111.6 | D160 T161 I162 K168 | D160-K164 WeakPolarHBondContact O-CB 3.38Å; D160-K164 WeakPolarHBondContact O-CD 3.3Å; D160-K164 WeakPolarHBondContact O-CG 3.24Å; D160-K164 PolarHBondContact O-N 3.43Å; T161-K164 PolarHBondContact O-N 3.4Å; I162-K164 VanDerWaalsContact C-N 3.3Å; I162-K164 PolarHBondContact O-N 2.79Å; K164-K168 WeakPolarHBondContact O-CG 3.3Å; K164-K168 PolarHBondContact O-N 2.9Å |
| 165 | M | 92.2 | Very high | 91.3 | Very high | 19 Ų | 19 | 72.7 Ų | 72.7 | 9% | 0.094 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 177.2 | -76.8 | 176.9 | 69.6 | 0 | 0 | 111.5 | L12 P13 N113 Y115 T161 I162 K168 F169 | L12-M165 HydrophobicContact CD2-CB 3.94Å; P13-M165 HydrophobicContact CG-CE 4.06Å; P13-M165 HydrophobicContact CG-SD 3.92Å; N113-M165 HydrophobicContact CB-CE 3.62Å; N113-M165 WeakPolarHBondContact ND2-CE 3.3Å; Y115-M165 HydrophobicContact CD1-CE 4.03Å; Y115-M165 HydrophobicContact CE1-CE 4.46Å; Y115-M165 HydrophobicContact CG-CE 4.47Å; T161-M165 HydrophobicContact CG2-CG 4.44Å; T161-M165 HydrophobicContact CG2-SD 4.14Å; T161-M165 WeakPolarHBondContact O-CB 3.4Å; T161-M165 VanDerWaalsContact O-CG 3.24Å; T161-M165 WeakPolarHBondContact O-CG 3.47Å; T161-M165 PolarHBondContact O-N 3.48Å; I162-M165 WeakPolarHBondContact O-CB 3.39Å; I162-M165 PolarHBondContact O-N 2.84Å; I162-M165 VanDerWaalsContact O-N 3.1Å; M165-K168 CarbonylContact O-C 3.58Å; M165-K168 PolarHBondContact O-N 2.79Å; M165-K168 VanDerWaalsContact O-N 3.11Å; M165-F169 WeakPolarHBondContact O-CB 3.06Å; M165-F169 PolarHBondContact O-N 2.67Å |
| 166 | E | 94.2 | Very high | 90.9 | Very high | 83 Ų | 83 | 71.3 Ų | 71.3 | 39% | 0.388 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -58.6 | -49.9 | 177.5 | 174.5 | -165.6 | -133.7 | 0 | 0 | 112.6 | L12 M143 I162 K168 F169 | L12-E166 HydrophobicContact CD1-CB 4.17Å; L12-E166 HydrophobicContact CD2-CB 4.21Å; M143-E166 HydrophobicContact CE-CB 3.17Å; M143-E166 HydrophobicContact CE-CG 3.54Å; M143-E166 WeakPolarHBondContact CE-OE1 3.41Å; M143-E166 WeakPolarHBondContact CE-OE2 3.41Å; I162-E166 PolarHBondContact O-N 3.33Å; E166-K168 PolarHBondContact O-N 3.11Å; E166-F169 WeakPolarHBondContact O-CB 3.38Å; E166-F169 PolarHBondContact O-N 2.9Å |
| 167 | R | 93.3 | Very high | 90.6 | Very high | 184 Ų | 184 | 69.8 Ų | 69.8 | 69% | 0.694 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -59.4 | -21.3 | 177.8 | -73.8 | -178.3 | -78.9 | -160.2 | -4.3 | 113.5 | H163 | H163-R167 WeakPolarHBondContact O-CG 3.48Å; H163-R167 PolarHBondContact O-N 2.59Å; H163-R167 PolarHBondContact O-NE 3.19Å; H163-R167 VanDerWaalsContact O-NE 3.07Å |
| 168 | K | 91 | Very high | 90.4 | Very high | 121 Ų | 121 | 69.3 Ų | 69.3 | 53% | 0.526 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 2.1 | 178.5 | -67.1 | -179.3 | 175.4 | -173.1 | 0 | 112.8 | Y115 Y116 K164 M165 E166 E170 | Y115-K168 HydrophobicContact CD2-CB 4.36Å; Y115-K168 HydrophobicContact CE2-CB 4.25Å; Y116-K168 HydrophobicContact CE1-CB 4.33Å; K164-K168 WeakPolarHBondContact O-CG 3.3Å; K164-K168 PolarHBondContact O-N 2.9Å; M165-K168 CarbonylContact O-C 3.58Å; M165-K168 PolarHBondContact O-N 2.79Å; M165-K168 VanDerWaalsContact O-N 3.11Å; E166-K168 PolarHBondContact O-N 3.11Å; K168-E170 PolarHBondContact O-N 3.01Å |
| 169 | F | 91.9 | Very high | 90.2 | Very high | 17 Ų | 17 | 65.5 Ų | 65.5 | 8% | 0.075 | 32% | 0.319 | C | S | . | . | trans | -76.8 | 111.6 | -172.3 | -155.3 | -67.5 | 0 | 0 | 0 | 109.2 | L10 L12 M165 E166 W171 | L10-F169 HydrophobicContact CB-CZ 4.5Å; L10-F169 HydrophobicContact CD1-CE1 3.85Å; L10-F169 HydrophobicContact CD1-CZ 4.02Å; L12-F169 HydrophobicContact CD2-CD2 3.73Å; L12-F169 HydrophobicContact CD2-CE2 4.29Å; L12-F169 HydrophobicContact CG-CD2 4.19Å; L12-F169 HydrophobicContact CG-CE2 4.46Å; M165-F169 WeakPolarHBondContact O-CB 3.06Å; M165-F169 PolarHBondContact O-N 2.67Å; E166-F169 WeakPolarHBondContact O-CB 3.38Å; E166-F169 PolarHBondContact O-N 2.9Å; F169-W171 AromaticContact CD1-CD1 3.98Å; F169-W171 AromaticContact CD1-CD2 3.53Å; F169-W171 HydrophobicContact CD1-CD2 3.53Å; F169-W171 AromaticContact CD1-CE2 3.55Å; F169-W171 AromaticContact CD1-CE3 3.97Å; F169-W171 HydrophobicContact CD1-CE3 3.97Å; F169-W171 AromaticContact CD1-CG 3.83Å; F169-W171 HydrophobicContact CD1-CG 3.83Å; F169-W171 HydrophobicContact CD1-CH2 4.39Å; F169-W171 HydrophobicContact CD1-CZ2 4.01Å; F169-W171 HydrophobicContact CD1-CZ3 4.37Å; F169-W171 AromaticContact CD1-NE1 3.82Å; F169-W171 AromaticContact CE1-CD2 3.61Å; F169-W171 HydrophobicContact CE1-CD2 3.61Å; F169-W171 AromaticContact CE1-CE2 3.89Å; F169-W171 AromaticContact CE1-CE3 3.51Å; F169-W171 HydrophobicContact CE1-CE3 3.51Å; F169-W171 HydrophobicContact CE1-CG 4.23Å; F169-W171 HydrophobicContact CE1-CH2 4.01Å; F169-W171 HydrophobicContact CE1-CZ2 4.1Å; F169-W171 AromaticContact CE1-CZ3 3.72Å; F169-W171 HydrophobicContact CE1-CZ3 3.72Å; F169-W171 HydrophobicContact CG-CZ2 4.31Å; F169-W171 HydrophobicContact CZ-CE3 4.3Å; F169-W171 HydrophobicContact CZ-CH2 4.14Å; F169-W171 HydrophobicContact CZ-CZ2 4.47Å; F169-W171 HydrophobicContact CZ-CZ3 4.05Å; F169-W171 PolarHBondContact O-N 2.93Å | ||
| 170 | E | 91.2 | Very high | 90.1 | Very high | 90 Ų | 90 | 63.6 Ų | 63.6 | 42% | 0.421 | 31% | 0.309 | S | S | . | . | trans | -87.9 | 87.5 | 175.2 | -66.5 | 167.5 | -170.3 | 0 | 0 | 108.1 | Y115 C117 R120 K168 | Y115-E170 PolarHBondContact O-N 3.19Å; C117-E170 HydrophobicContact CB-CB 4.25Å; C117-E170 WeakPolarHBondContact CB-OE2 3.49Å; C117-E170 PolarHBondContact N-OE2 2.92Å; R120-E170 VanDerWaalsContact CZ-O 3.26Å; R120-E170 PolarHBondContact NH1-O 3.48Å; R120-E170 PolarHBondContact NH2-O 2.85Å; K168-E170 PolarHBondContact O-N 3.01Å | ||
| 171 | W | 94.4 | Very high | 89.8 | Confident | 86 Ų | 86 | 64.9 Ų | 64.9 | 33% | 0.326 | 31% | 0.309 | S | S | . | . | trans | -58.7 | 149.6 | 176.8 | -70.4 | 103.7 | 0 | 0 | 0 | 111.3 | L10 A138 Q140 F169 D173 | L10-W171 HydrophobicContact CD1-CE3 4.41Å; A138-W171 HydrophobicContact CB-CE3 4.23Å; A138-W171 HydrophobicContact CB-CZ3 4.13Å; Q140-W171 HydrophobicContact CG-CE3 4.16Å; Q140-W171 HydrophobicContact CG-CH2 3.78Å; Q140-W171 HydrophobicContact CG-CZ2 4.26Å; Q140-W171 HydrophobicContact CG-CZ3 3.73Å; F169-W171 AromaticContact CD1-CD1 3.98Å; F169-W171 AromaticContact CD1-CD2 3.53Å; F169-W171 HydrophobicContact CD1-CD2 3.53Å; F169-W171 AromaticContact CD1-CE2 3.55Å; F169-W171 AromaticContact CD1-CE3 3.97Å; F169-W171 HydrophobicContact CD1-CE3 3.97Å; F169-W171 AromaticContact CD1-CG 3.83Å; F169-W171 HydrophobicContact CD1-CG 3.83Å; F169-W171 HydrophobicContact CD1-CH2 4.39Å; F169-W171 HydrophobicContact CD1-CZ2 4.01Å; F169-W171 HydrophobicContact CD1-CZ3 4.37Å; F169-W171 AromaticContact CD1-NE1 3.82Å; F169-W171 AromaticContact CE1-CD2 3.61Å; F169-W171 HydrophobicContact CE1-CD2 3.61Å; F169-W171 AromaticContact CE1-CE2 3.89Å; F169-W171 AromaticContact CE1-CE3 3.51Å; F169-W171 HydrophobicContact CE1-CE3 3.51Å; F169-W171 HydrophobicContact CE1-CG 4.23Å; F169-W171 HydrophobicContact CE1-CH2 4.01Å; F169-W171 HydrophobicContact CE1-CZ2 4.1Å; F169-W171 AromaticContact CE1-CZ3 3.72Å; F169-W171 HydrophobicContact CE1-CZ3 3.72Å; F169-W171 HydrophobicContact CG-CZ2 4.31Å; F169-W171 HydrophobicContact CZ-CE3 4.3Å; F169-W171 HydrophobicContact CZ-CH2 4.14Å; F169-W171 HydrophobicContact CZ-CZ2 4.47Å; F169-W171 HydrophobicContact CZ-CZ3 4.05Å; F169-W171 PolarHBondContact O-N 2.93Å; W171-D173 PolarHBondContact O-N 3.36Å | ||
| 172 | P | 92.1 | Very high | 89.8 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 14% | 0.136 | 30% | 0.301 | C | S | . | . | trans | -57.7 | 138.9 | 176.4 | -23.9 | 34 | 0 | 0 | 0 | 110.9 | L10 A138 E180 T183 | L10-P172 HydrophobicContact CD1-CG 3.56Å; L10-P172 HydrophobicContact CD2-CG 4.15Å; L10-P172 HydrophobicContact CG-CG 4.49Å; A138-P172 HydrophobicContact CB-CG 4.3Å; P172-E180 WeakPolarHBondContact CA-OE2 3.09Å; P172-T183 HydrophobicContact CB-CG2 3.76Å; P172-T183 HydrophobicContact CG-CG2 3.97Å | ||
| 173 | D | 87.4 | Confident | 89.8 | Confident | 55 Ų | 55 | 65.2 Ų | 65.2 | 29% | 0.294 | 31% | 0.309 | S | S | . | . | trans | -131.3 | 79.6 | -178.3 | 179.7 | -6.3 | 0 | 0 | 0 | 109.4 | W171 V175 N176 N177 E180 | W171-D173 PolarHBondContact O-N 3.36Å; D173-V175 PolarHBondContact O-N 3.11Å; D173-V175 WeakPolarHBondContact OD1-CB 3.35Å; D173-V175 PolarHBondContact OD1-N 3.05Å; D173-N176 PolarHBondContact O-N 2.98Å; D173-N176 VanDerWaalsContact O-N 3.17Å; D173-N176 PolarHBondContact OD1-N 3.26Å; D173-N176 VanDerWaalsContact OD1-N 3.13Å; D173-N176 WeakPolarHBondContact OD2-CB 3.42Å; D173-N176 PolarHBondContact OD2-ND2 2.81Å; D173-N177 WeakPolarHBondContact O-CA 3.4Å; D173-N177 WeakPolarHBondContact O-CB 3.47Å; D173-N177 PolarHBondContact O-N 2.91Å; D173-E180 PolarHBondContact N-OE2 2.79Å | ||
| 174 | P | 83.3 | Confident | 89.6 | Confident | 52 Ų | 52 | 63.6 Ų | 63.6 | 34% | 0.338 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.3 | -19.8 | -177.4 | -26.8 | 36.4 | 0 | 0 | 0 | 114.8 | ||
| 175 | V | 80.6 | Confident | 89.5 | Confident | 109 Ų | 109 | 61.1 Ų | 61.1 | 66% | 0.661 | 30% | 0.297 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.8 | -47.3 | 179.6 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | D173 | D173-V175 PolarHBondContact O-N 3.11Å; D173-V175 WeakPolarHBondContact OD1-CB 3.35Å; D173-V175 PolarHBondContact OD1-N 3.05Å |
| 176 | N | 79.4 | Confident | 89.3 | Confident | 70 Ų | 70 | 61.4 Ų | 61.4 | 37% | 0.374 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.3 | -30.4 | 178.9 | -68.2 | -49.8 | 0 | 0 | 0 | 112.8 | D173 N223 | D173-N176 PolarHBondContact O-N 2.98Å; D173-N176 VanDerWaalsContact O-N 3.17Å; D173-N176 PolarHBondContact OD1-N 3.26Å; D173-N176 VanDerWaalsContact OD1-N 3.13Å; D173-N176 WeakPolarHBondContact OD2-CB 3.42Å; D173-N176 PolarHBondContact OD2-ND2 2.81Å; N176-N223 PolarHBondContact O-OD1 3.33Å |
| 177 | N | 84.3 | Confident | 88.6 | Confident | 38 Ų | 38 | 59.2 Ų | 59.2 | 20% | 0.203 | 29% | 0.293 | C | S | . | . | trans | -112.1 | 76.1 | -178.5 | -76.1 | -56.6 | 0 | 0 | 0 | 110.1 | D173 W179 E180 | D173-N177 WeakPolarHBondContact O-CA 3.4Å; D173-N177 WeakPolarHBondContact O-CB 3.47Å; D173-N177 PolarHBondContact O-N 2.91Å; N177-W179 PolarHBondContact O-N 2.86Å; N177-W179 PolarHBondContact OD1-NE1 2.81Å; N177-W179 VanDerWaalsContact OD1-NE1 3.09Å; N177-E180 HydrophobicContact CB-CB 4.38Å; N177-E180 HydrophobicContact CB-CG 4.06Å; N177-E180 VanDerWaalsContact CB-OE2 3.29Å; N177-E180 WeakPolarHBondContact CB-OE2 3.3Å; N177-E180 WeakPolarHBondContact O-CA 3.43Å; N177-E180 WeakPolarHBondContact O-CB 3.32Å; N177-E180 PolarHBondContact O-N 2.8Å | ||
| 178 | L | 86.3 | Confident | 87.3 | Confident | 42 Ų | 42 | 51.6 Ų | 51.6 | 22% | 0.22 | 27% | 0.268 | C | S | . | . | G | 310 helix | trans | -55.4 | -19.8 | -176.5 | -63.7 | 177.4 | 0 | 0 | 0 | 115.3 | E180 K181 N219 K222 | L178-E180 VanDerWaalsContact C-N 3.29Å; L178-K181 VanDerWaalsContact O-CB 3.22Å; L178-K181 WeakPolarHBondContact O-CB 3.41Å; L178-K181 VanDerWaalsContact O-CG 3.3Å; L178-K181 WeakPolarHBondContact O-CG 3.47Å; L178-K181 PolarHBondContact O-N 3.29Å; L178-N219 WeakPolarHBondContact CD1-OD1 3.48Å; L178-K222 HydrophobicContact CD1-CD 3.88Å |
| 179 | W | 90.7 | Very high | 85.8 | Confident | 6 Ų | 6 | 51.5 Ų | 51.5 | 2% | 0.023 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -74.1 | -18.9 | 174.5 | 65.4 | -83.3 | 0 | 0 | 0 | 113.1 | R120 R121 Y124 Y134 N177 K181 | R120-W179 HydrophobicContact CB-CH2 3.69Å; R120-W179 HydrophobicContact CB-CZ3 4.12Å; R121-W179 HydrophobicContact CB-CH2 4.11Å; R121-W179 HydrophobicContact CB-CZ2 4.32Å; R121-W179 VanDerWaalsContact CZ-CD1 3.48Å; R121-W179 VanDerWaalsContact N-CH2 3.34Å; R121-W179 VanDerWaalsContact NH1-NE1 3.12Å; R121-W179 VanDerWaalsContact NH2-CE2 3.28Å; Y124-W179 VanDerWaalsContact CB-CE3 3.5Å; Y124-W179 HydrophobicContact CD1-CB 4.26Å; Y124-W179 HydrophobicContact CD1-CE3 4.16Å; Y124-W179 HydrophobicContact CD2-CB 3.96Å; Y124-W179 AromaticContact CD2-CE3 3.81Å; Y124-W179 HydrophobicContact CD2-CE3 3.81Å; Y124-W179 HydrophobicContact CE1-CB 3.94Å; Y124-W179 HydrophobicContact CE2-CB 3.61Å; Y124-W179 HydrophobicContact CG-CB 4.27Å; Y124-W179 HydrophobicContact CG-CD2 4.28Å; Y124-W179 AromaticContact CG-CE3 3.53Å; Y124-W179 HydrophobicContact CG-CE3 3.53Å; Y124-W179 HydrophobicContact CG-CZ3 4.23Å; Y134-W179 HydrophobicContact CD1-CE3 4.41Å; Y134-W179 AromaticContact CE1-CE3 3.87Å; Y134-W179 HydrophobicContact CE1-CE3 3.87Å; Y134-W179 AromaticContact CE1-CZ3 3.74Å; Y134-W179 HydrophobicContact CE1-CZ3 3.74Å; Y134-W179 AromaticContact CZ-CZ3 3.9Å; N177-W179 PolarHBondContact O-N 2.86Å; N177-W179 PolarHBondContact OD1-NE1 2.81Å; N177-W179 VanDerWaalsContact OD1-NE1 3.09Å; W179-K181 VanDerWaalsContact C-N 3.25Å |
| 180 | E | 92.1 | Very high | 83.8 | Confident | 1 Ų | 1 | 55.5 Ų | 55.5 | 1% | 0.005 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -86.2 | 10.9 | 170.3 | -61.4 | -175.6 | 130.2 | 0 | 0 | 112 | R120 P172 D173 N177 L178 H182 T183 | R120-E180 IonicContact CZ-OE1 2.76Å; R120-E180 VanDerWaalsContact CZ-OE1 3.24Å; R120-E180 IonicContact NE-OE1 3.87Å; R120-E180 PolarHBondContact NE-OE1 3.32Å; R120-E180 IonicContact NH2-OE1 3.73Å; R120-E180 PolarHBondContact NH2-OE1 3.33Å; P172-E180 WeakPolarHBondContact CA-OE2 3.09Å; D173-E180 PolarHBondContact N-OE2 2.79Å; N177-E180 HydrophobicContact CB-CB 4.38Å; N177-E180 HydrophobicContact CB-CG 4.06Å; N177-E180 VanDerWaalsContact CB-OE2 3.29Å; N177-E180 WeakPolarHBondContact CB-OE2 3.3Å; N177-E180 WeakPolarHBondContact O-CA 3.43Å; N177-E180 WeakPolarHBondContact O-CB 3.32Å; N177-E180 PolarHBondContact O-N 2.8Å; L178-E180 VanDerWaalsContact C-N 3.29Å; E180-H182 PolarHBondContact O-N 2.78Å; E180-T183 WeakPolarHBondContact O-CB 3.33Å; E180-T183 PolarHBondContact O-N 2.74Å; E180-T183 VanDerWaalsContact O-N 3.11Å; E180-T183 PolarHBondContact O-OG1 2.89Å |
| 181 | K | 89 | Confident | 81.8 | Confident | 132 Ų | 132 | 57.7 Ų | 57.7 | 57% | 0.574 | 31% | 0.306 | S | S | * | . | trans | -49.7 | -30.3 | -178.2 | 60.7 | 176.2 | 178.7 | 163.2 | 0 | 115.1 | L178 W179 T183 | L178-K181 VanDerWaalsContact O-CB 3.22Å; L178-K181 WeakPolarHBondContact O-CB 3.41Å; L178-K181 VanDerWaalsContact O-CG 3.3Å; L178-K181 WeakPolarHBondContact O-CG 3.47Å; L178-K181 PolarHBondContact O-N 3.29Å; W179-K181 VanDerWaalsContact C-N 3.25Å; K181-T183 VanDerWaalsContact C-N 3.32Å; K181-T183 PolarHBondContact O-N 3.09Å | ||
| 182 | H | 92.6 | Very high | 79.5 | Confident | 35 Ų | 35 | 61.1 Ų | 61.1 | 16% | 0.162 | 33% | 0.331 | C | S | . | . | S | Bend | trans | -96.5 | 56.9 | 176.5 | -59.3 | -55.8 | 0 | 0 | 0 | 110.6 | A135 S136 E180 F202 L206 | A135-H182 CarbonylContact C-O 3.58Å; A135-H182 VanDerWaalsContact CA-O 3.29Å; A135-H182 WeakPolarHBondContact CA-O 3.37Å; A135-H182 HydrophobicContact CB-CB 4.34Å; S136-H182 PolarHBondContact N-O 3.28Å; E180-H182 PolarHBondContact O-N 2.78Å; H182-F202 HydrophobicContact CB-CZ 4.34Å; H182-L206 HydrophobicContact CB-CD1 4.01Å; H182-L206 HydrophobicContact CB-CD2 4.43Å |
| 183 | T | 92.3 | Very high | 77.5 | Confident | 28 Ų | 28 | 64.1 Ų | 64.1 | 17% | 0.172 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 129.7 | 172.3 | -61.5 | 0 | 0 | 0 | 0 | 110 | S136 A138 P172 E180 K181 | S136-T183 CarbonylContact O-C 3.59Å; S136-T183 VanDerWaalsContact O-CA 3.3Å; S136-T183 WeakPolarHBondContact O-CA 3.17Å; A138-T183 HydrophobicContact CB-CG2 4.34Å; P172-T183 HydrophobicContact CB-CG2 3.76Å; P172-T183 HydrophobicContact CG-CG2 3.97Å; E180-T183 WeakPolarHBondContact O-CB 3.33Å; E180-T183 PolarHBondContact O-N 2.74Å; E180-T183 VanDerWaalsContact O-N 3.11Å; E180-T183 PolarHBondContact O-OG1 2.89Å; K181-T183 VanDerWaalsContact C-N 3.32Å; K181-T183 PolarHBondContact O-N 3.09Å |
| 184 | I | 91.1 | Very high | 76.2 | Confident | 29 Ų | 29 | 65 Ų | 65 | 15% | 0.149 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 130.2 | 166.8 | -65.6 | 178.5 | 0 | 0 | 0 | 108.2 | S136 I137 A138 I186 L199 F202 | S136-I184 PolarHBondContact O-N 3.33Å; I137-I184 CarbonylContact C-O 3.36Å; I137-I184 WeakPolarHBondContact CA-O 3.4Å; A138-I184 PolarHBondContact N-O 2.84Å; I184-I186 HydrophobicContact CG2-CG1 4.04Å; I184-L199 HydrophobicContact CB-CD1 4.42Å; I184-L199 HydrophobicContact CD1-CD1 3.64Å; I184-L199 HydrophobicContact CG2-CD1 4.24Å; I184-F202 HydrophobicContact CD1-CB 4.03Å; I184-F202 HydrophobicContact CD1-CD1 3.14Å; I184-F202 HydrophobicContact CD1-CD2 3.91Å; I184-F202 HydrophobicContact CD1-CE1 3.37Å; I184-F202 HydrophobicContact CD1-CE2 4.1Å; I184-F202 HydrophobicContact CD1-CG 3.42Å; I184-F202 VanDerWaalsContact CD1-CG 3.42Å; I184-F202 HydrophobicContact CD1-CZ 3.85Å; I184-F202 HydrophobicContact CG1-CD1 4.13Å; I184-F202 HydrophobicContact CG1-CE1 3.84Å; I184-F202 HydrophobicContact CG1-CZ 4.05Å |
| 185 | T | 90 | Very high | 76.1 | Confident | 65 Ų | 65 | 64.8 Ų | 64.8 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 129.2 | 173.3 | -58.6 | 0 | 0 | 0 | 0 | 109.3 | A138 Q140 | A138-T185 HydrophobicContact CB-CG2 4.49Å; A138-T185 CarbonylContact O-C 3.56Å; A138-T185 WeakPolarHBondContact O-CA 3.32Å; Q140-T185 HydrophobicContact CB-CG2 4.18Å; Q140-T185 HydrophobicContact CG-CG2 3.72Å |
| 186 | I | 87.5 | Confident | 76.3 | Confident | 25 Ų | 25 | 61.1 Ų | 61.1 | 13% | 0.128 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 123.7 | 178.1 | -55.2 | 175.6 | 0 | 0 | 0 | 107.4 | L20 I137 A138 C139 Q140 I184 L199 | L20-I186 HydrophobicContact CD1-CD1 4.48Å; L20-I186 HydrophobicContact CD2-CD1 3.61Å; I137-I186 HydrophobicContact CG2-CD1 3.47Å; I137-I186 VanDerWaalsContact CG2-CD1 3.47Å; I137-I186 HydrophobicContact CG2-CG1 4.13Å; A138-I186 PolarHBondContact O-N 3.23Å; C139-I186 CarbonylContact C-O 3.51Å; Q140-I186 PolarHBondContact N-O 3.36Å; I184-I186 HydrophobicContact CG2-CG1 4.04Å; I186-L199 HydrophobicContact CD1-CD1 4.49Å; I186-L199 HydrophobicContact CD1-CD2 3.62Å |
| 187 | S | 80.6 | Confident | 76.7 | Confident | 38 Ų | 38 | 61.3 Ų | 61.3 | 27% | 0.266 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 127.6 | 173.3 | 178.9 | 0 | 0 | 0 | 0 | 110.1 | Q140 V189 E190 | Q140-S187 CarbonylContact O-C 3.52Å; Q140-S187 WeakPolarHBondContact O-CA 3.48Å; S187-V189 PolarHBondContact O-N 3.22Å; S187-E190 PolarHBondContact O-N 3Å; S187-E190 VanDerWaalsContact O-N 3.07Å |
| 188 | S | 66.2 | Low | 76.8 | Confident | 24 Ų | 24 | 62.6 Ų | 62.6 | 17% | 0.168 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -17.2 | 178.4 | 177.8 | 0 | 0 | 0 | 0 | 114.2 | Q140 R149 | Q140-S188 PolarHBondContact O-N 3.42Å; R149-S188 VanDerWaalsContact CZ-OG 3.3Å; R149-S188 PolarHBondContact NH1-OG 2.91Å; R149-S188 PolarHBondContact NH2-OG 3.4Å |
| 189 | V | 59 | Low | 77 | Confident | 119 Ų | 119 | 60.7 Ų | 60.7 | 72% | 0.721 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -22.5 | 176.2 | -170.6 | 0 | 0 | 0 | 0 | 110.4 | S187 | S187-V189 PolarHBondContact O-N 3.22Š|
| 190 | E | 50.7 | Low | 77.1 | Confident | 100 Ų | 100 | 60.8 Ų | 60.8 | 47% | 0.467 | 34% | 0.335 | S | S | . | . | trans | -106.2 | 63 | -175.2 | -66.3 | 176.6 | -177.9 | 0 | 0 | 110 | S187 N192 V193 | S187-E190 PolarHBondContact O-N 3Å; S187-E190 VanDerWaalsContact O-N 3.07Å; E190-N192 PolarHBondContact O-N 3.49Å; E190-V193 HydrophobicContact CB-CB 4.03Å; E190-V193 HydrophobicContact CB-CG2 3.72Å; E190-V193 HydrophobicContact CG-CG2 4.07Å; E190-V193 PolarHBondContact O-N 3.37Å; E190-V193 VanDerWaalsContact O-N 3.16Å; E190-V193 WeakPolarHBondContact OE2-CG2 3.46Å | ||
| 191 | E | 48.5 | Very low | 77 | Confident | 136 Ų | 136 | 64.6 Ų | 64.6 | 64% | 0.636 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -16.4 | 173.8 | -76.1 | -170.2 | 150.8 | 0 | 0 | 113.3 | ||
| 192 | N | 46.3 | Very low | 77.1 | Confident | 159 Ų | 159 | 61.2 Ų | 61.2 | 85% | 0.85 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -15.8 | -176.6 | -70.1 | -33.3 | 0 | 0 | 0 | 116.2 | E190 | E190-N192 PolarHBondContact O-N 3.49Š|
| 193 | V | 49.9 | Very low | 77.1 | Confident | 84 Ų | 84 | 59.6 Ų | 59.6 | 51% | 0.509 | 33% | 0.334 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.2 | -31.1 | -169.6 | 172.7 | 0 | 0 | 0 | 0 | 112.5 | E190 | E190-V193 HydrophobicContact CB-CB 4.03Å; E190-V193 HydrophobicContact CB-CG2 3.72Å; E190-V193 HydrophobicContact CG-CG2 4.07Å; E190-V193 PolarHBondContact O-N 3.37Å; E190-V193 VanDerWaalsContact O-N 3.16Å; E190-V193 WeakPolarHBondContact OE2-CG2 3.46Å |
| 194 | H | 59.9 | Low | 77.1 | Confident | 73 Ų | 73 | 60 Ų | 60 | 34% | 0.338 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -127.3 | 97.1 | 173.8 | -66.3 | -52.4 | 0 | 0 | 0 | 110.9 | ||
| 195 | S | 80.2 | Confident | 77.2 | Confident | 48 Ų | 48 | 64.2 Ų | 64.2 | 34% | 0.336 | 36% | 0.355 | S | S | . | . | trans | -56.7 | 139.8 | 167.4 | 83.4 | 0 | 0 | 0 | 0 | 109.3 | V197 S198 L199 | S195-V197 PolarHBondContact O-N 3.34Å; S195-V197 VanDerWaalsContact O-N 3.08Å; S195-S198 PolarHBondContact O-N 2.97Å; S195-S198 PolarHBondContact OG-N 2.78Å; S195-S198 PolarHBondContact OG-OG 3.23Å; S195-L199 PolarHBondContact O-N 3.05Å; S195-L199 VanDerWaalsContact O-N 3.13Å | ||
| 196 | P | 85.7 | Confident | 77.5 | Confident | 31 Ų | 31 | 61.3 Ų | 61.3 | 20% | 0.201 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -51.3 | -32 | 173.7 | -30.3 | 36.7 | 0 | 0 | 0 | 112.9 | R23 L24 L27 L199 L200 | R23-P196 HydrophobicContact CB-CB 4.33Å; R23-P196 HydrophobicContact CB-CG 4.09Å; L24-P196 HydrophobicContact CD2-CB 4.2Å; L24-P196 VanDerWaalsContact CD2-O 3.24Å; L24-P196 WeakPolarHBondContact CD2-O 3.43Å; L27-P196 HydrophobicContact CD1-CB 3.93Å; P196-L199 PolarHBondContact O-N 2.82Å; P196-L200 WeakPolarHBondContact O-CB 3.4Å; P196-L200 PolarHBondContact O-N 2.83Å |
| 197 | V | 88 | Confident | 77.8 | Confident | 74 Ų | 74 | 60.4 Ų | 60.4 | 45% | 0.448 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -47.1 | 175.8 | 179.8 | 0 | 0 | 0 | 0 | 111.9 | L27 S195 L199 L200 N201 | L27-V197 HydrophobicContact CD1-CG2 4.22Å; L27-V197 HydrophobicContact CD2-CG2 3.98Å; S195-V197 PolarHBondContact O-N 3.34Å; S195-V197 VanDerWaalsContact O-N 3.08Å; V197-L199 VanDerWaalsContact C-N 3.3Å; V197-L199 PolarHBondContact O-N 2.98Å; V197-L200 PolarHBondContact O-N 3.32Å; V197-N201 WeakPolarHBondContact O-CB 3.38Å; V197-N201 VanDerWaalsContact O-CG 3.29Å; V197-N201 PolarHBondContact O-N 3.37Å; V197-N201 PolarHBondContact O-ND2 3.01Å |
| 198 | S | 87 | Confident | 78.4 | Confident | 66 Ų | 66 | 64.7 Ų | 64.7 | 46% | 0.462 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 177.8 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | S195 N201 F202 | S195-S198 PolarHBondContact O-N 2.97Å; S195-S198 PolarHBondContact OG-N 2.78Å; S195-S198 PolarHBondContact OG-OG 3.23Å; S198-N201 PolarHBondContact O-N 2.97Å; S198-F202 PolarHBondContact O-N 3.45Å |
| 199 | L | 90.3 | Very high | 79.6 | Confident | 2 Ų | 2 | 68.4 Ų | 68.4 | 1% | 0.01 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.5 | -44.1 | 177 | -177.3 | 60 | 0 | 0 | 0 | 111.5 | L20 L24 I137 I184 I186 S195 P196 V197 N201 F202 L203 | L20-L199 HydrophobicContact CD1-CD2 3.9Å; L20-L199 HydrophobicContact CD2-CD2 4.02Å; L20-L199 HydrophobicContact CG-CD2 4.31Å; L24-L199 HydrophobicContact CD1-CD2 3.92Å; L24-L199 HydrophobicContact CD1-CG 4.49Å; L24-L199 HydrophobicContact CD2-CB 4.31Å; L24-L199 HydrophobicContact CD2-CD2 4.19Å; L24-L199 HydrophobicContact CD2-CG 4.3Å; L24-L199 HydrophobicContact CG-CD2 4.47Å; I137-L199 HydrophobicContact CD1-CD1 4.08Å; I137-L199 HydrophobicContact CD1-CD2 3.89Å; I137-L199 HydrophobicContact CD1-CG 4.17Å; I137-L199 HydrophobicContact CG1-CD1 4.21Å; I137-L199 HydrophobicContact CG2-CD2 4.46Å; I184-L199 HydrophobicContact CB-CD1 4.42Å; I184-L199 HydrophobicContact CD1-CD1 3.64Å; I184-L199 HydrophobicContact CG2-CD1 4.24Å; I186-L199 HydrophobicContact CD1-CD1 4.49Å; I186-L199 HydrophobicContact CD1-CD2 3.62Å; S195-L199 PolarHBondContact O-N 3.05Å; S195-L199 VanDerWaalsContact O-N 3.13Å; P196-L199 PolarHBondContact O-N 2.82Å; V197-L199 VanDerWaalsContact C-N 3.3Å; V197-L199 PolarHBondContact O-N 2.98Å; L199-N201 VanDerWaalsContact C-N 3.33Å; L199-N201 PolarHBondContact O-N 3.03Å; L199-F202 WeakPolarHBondContact O-CB 3.43Å; L199-F202 PolarHBondContact O-N 2.96Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 2.95Å |
| 200 | L | 91.6 | Very high | 81.3 | Confident | 7 Ų | 7 | 64.8 Ų | 64.8 | 4% | 0.037 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61 | -42.4 | 174.8 | -176.6 | 56.7 | 0 | 0 | 0 | 111.6 | L24 L27 T29 V34 I107 P196 V197 F202 L203 K204 | L24-L200 HydrophobicContact CD2-CB 4.05Å; L27-L200 HydrophobicContact CB-CD2 3.73Å; L27-L200 HydrophobicContact CD1-CB 4.16Å; L27-L200 HydrophobicContact CD1-CD2 3.62Å; L27-L200 HydrophobicContact CG-CD2 4.33Å; T29-L200 HydrophobicContact CG2-CD2 3.49Å; T29-L200 VanDerWaalsContact CG2-CD2 3.49Å; T29-L200 HydrophobicContact CG2-CG 4.37Å; V34-L200 HydrophobicContact CG2-CD1 3.65Å; V34-L200 HydrophobicContact CG2-CD2 4.49Å; I107-L200 HydrophobicContact CD1-CD1 3.64Å; P196-L200 WeakPolarHBondContact O-CB 3.4Å; P196-L200 PolarHBondContact O-N 2.83Å; V197-L200 PolarHBondContact O-N 3.32Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 3.48Å; L200-L203 PolarHBondContact O-N 3.42Å; L200-K204 WeakPolarHBondContact O-CG 3.36Å; L200-K204 PolarHBondContact O-N 2.93Å |
| 201 | N | 90.6 | Very high | 83.2 | Confident | 81 Ų | 81 | 61.1 Ų | 61.1 | 43% | 0.433 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -60.7 | -41 | 175.2 | -73.4 | -22.1 | 0 | 0 | 0 | 112.2 | V197 S198 L199 K204 L205 | V197-N201 WeakPolarHBondContact O-CB 3.38Å; V197-N201 VanDerWaalsContact O-CG 3.29Å; V197-N201 PolarHBondContact O-N 3.37Å; V197-N201 PolarHBondContact O-ND2 3.01Å; S198-N201 PolarHBondContact O-N 2.97Å; L199-N201 VanDerWaalsContact C-N 3.33Å; L199-N201 PolarHBondContact O-N 3.03Å; N201-K204 PolarHBondContact O-N 3.36Å; N201-L205 WeakPolarHBondContact O-CG 3.34Å; N201-L205 PolarHBondContact O-N 3.19Å; N201-L205 VanDerWaalsContact O-N 3.08Å |
| 202 | F | 90.7 | Very high | 84.8 | Confident | 62 Ų | 62 | 63.1 Ų | 63.1 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.1 | -46.4 | 172.9 | 170.7 | -94 | 0 | 0 | 0 | 111.9 | H182 I184 S198 L199 L200 K204 L205 L206 | H182-F202 HydrophobicContact CB-CZ 4.34Å; I184-F202 HydrophobicContact CD1-CB 4.03Å; I184-F202 HydrophobicContact CD1-CD1 3.14Å; I184-F202 HydrophobicContact CD1-CD2 3.91Å; I184-F202 HydrophobicContact CD1-CE1 3.37Å; I184-F202 HydrophobicContact CD1-CE2 4.1Å; I184-F202 HydrophobicContact CD1-CG 3.42Å; I184-F202 VanDerWaalsContact CD1-CG 3.42Å; I184-F202 HydrophobicContact CD1-CZ 3.85Å; I184-F202 HydrophobicContact CG1-CD1 4.13Å; I184-F202 HydrophobicContact CG1-CE1 3.84Å; I184-F202 HydrophobicContact CG1-CZ 4.05Å; S198-F202 PolarHBondContact O-N 3.45Å; L199-F202 WeakPolarHBondContact O-CB 3.43Å; L199-F202 PolarHBondContact O-N 2.96Å; L200-F202 VanDerWaalsContact C-N 3.33Å; L200-F202 PolarHBondContact O-N 3.48Å; F202-K204 VanDerWaalsContact C-N 3.3Å; F202-K204 PolarHBondContact O-N 2.98Å; F202-L205 WeakPolarHBondContact O-CB 3.29Å; F202-L205 PolarHBondContact O-N 3.19Å; F202-L206 HydrophobicContact CD1-CD1 4.24Å; F202-L206 HydrophobicContact CE1-CD1 3.61Å; F202-L206 HydrophobicContact CE1-CG 4.33Å; F202-L206 HydrophobicContact CZ-CD1 3.98Å; F202-L206 HydrophobicContact CZ-CG 4.44Å; F202-L206 PolarHBondContact O-N 2.92Å |
| 203 | L | 92.8 | Very high | 85.9 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -62.7 | -38.4 | 178 | -64.9 | 177.9 | 0 | 0 | 0 | 111.5 | T7 I107 L109 A135 I137 L199 L200 L205 L206 | T7-L203 HydrophobicContact CG2-CD1 4.31Å; T7-L203 HydrophobicContact CG2-CD2 3.97Å; I107-L203 HydrophobicContact CD1-CB 3.84Å; I107-L203 HydrophobicContact CG1-CB 4.45Å; I107-L203 HydrophobicContact CG2-CB 4.31Å; I107-L203 HydrophobicContact CG2-CD1 3.83Å; L109-L203 HydrophobicContact CD2-CD1 4.09Å; A135-L203 HydrophobicContact CB-CD2 3.83Å; I137-L203 HydrophobicContact CD1-CD1 4.27Å; L199-L203 WeakPolarHBondContact O-CG 3.33Å; L199-L203 PolarHBondContact O-N 2.95Å; L200-L203 PolarHBondContact O-N 3.42Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L203-L205 PolarHBondContact O-N 2.82Å; L203-L206 HydrophobicContact CD2-CD1 4.48Å; L203-L206 WeakPolarHBondContact O-CB 3.19Å; L203-L206 PolarHBondContact O-N 3.1Å; L203-L206 VanDerWaalsContact O-N 3.11Å |
| 204 | K | 93.4 | Very high | 86.4 | Confident | 37 Ų | 37 | 63.3 Ų | 63.3 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -60.3 | -41.3 | 174.6 | -73.5 | 177 | 172.8 | -162.2 | 0 | 112.6 | D31 C32 I107 L200 N201 F202 L206 L207 | D31-K204 WeakPolarHBondContact OD1-CE 3.43Å; D31-K204 IonicContact OD1-NZ 2.62Å; D31-K204 PolarHBondContact OD1-NZ 2.97Å; D31-K204 WeakPolarHBondContact OD2-CE 3.37Å; D31-K204 IonicContact OD2-NZ 2.64Å; D31-K204 PolarHBondContact OD2-NZ 2.83Å; C32-K204 WeakPolarHBondContact SG-CE 3.15Å; I107-K204 HydrophobicContact CD1-CG 3.97Å; L200-K204 WeakPolarHBondContact O-CG 3.36Å; L200-K204 PolarHBondContact O-N 2.93Å; N201-K204 PolarHBondContact O-N 3.36Å; F202-K204 VanDerWaalsContact C-N 3.3Å; F202-K204 PolarHBondContact O-N 2.98Å; K204-L206 PolarHBondContact O-N 2.84Å; K204-L207 HydrophobicContact CB-CD1 4.4Å; K204-L207 HydrophobicContact CG-CD1 4.5Å; K204-L207 VanDerWaalsContact O-CB 3.29Å; K204-L207 WeakPolarHBondContact O-CB 3.32Å; K204-L207 PolarHBondContact O-N 3.29Å |
| 205 | L | 93.3 | Very high | 86.3 | Confident | 117 Ų | 117 | 64 Ų | 64 | 61% | 0.613 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -59.8 | -31.2 | 176.4 | -67.9 | 173.9 | 0 | 0 | 0 | 112.3 | N201 F202 L203 L207 | N201-L205 WeakPolarHBondContact O-CG 3.34Å; N201-L205 PolarHBondContact O-N 3.19Å; N201-L205 VanDerWaalsContact O-N 3.08Å; F202-L205 WeakPolarHBondContact O-CB 3.29Å; F202-L205 PolarHBondContact O-N 3.19Å; L203-L205 VanDerWaalsContact C-N 3.34Å; L203-L205 PolarHBondContact O-N 2.82Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.91Å |
| 206 | L | 94.6 | Very high | 85.2 | Confident | 4 Ų | 4 | 61.9 Ų | 61.9 | 2% | 0.021 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.1 | -19.2 | 177.9 | -63 | 178.9 | 0 | 0 | 0 | 113.5 | V5 S133 A135 H182 F202 L203 K204 N208 Q209 | V5-L206 HydrophobicContact CG1-CB 4.38Å; V5-L206 HydrophobicContact CG2-CB 4.13Å; S133-L206 WeakPolarHBondContact CB-O 3.42Å; S133-L206 PolarHBondContact OG-O 3.29Å; A135-L206 HydrophobicContact CB-CD1 3.64Å; H182-L206 HydrophobicContact CB-CD1 4.01Å; H182-L206 HydrophobicContact CB-CD2 4.43Å; F202-L206 HydrophobicContact CD1-CD1 4.24Å; F202-L206 HydrophobicContact CE1-CD1 3.61Å; F202-L206 HydrophobicContact CE1-CG 4.33Å; F202-L206 HydrophobicContact CZ-CD1 3.98Å; F202-L206 HydrophobicContact CZ-CG 4.44Å; F202-L206 PolarHBondContact O-N 2.92Å; L203-L206 HydrophobicContact CD2-CD1 4.48Å; L203-L206 WeakPolarHBondContact O-CB 3.19Å; L203-L206 PolarHBondContact O-N 3.1Å; L203-L206 VanDerWaalsContact O-N 3.11Å; K204-L206 PolarHBondContact O-N 2.84Å; L206-N208 PolarHBondContact O-N 3.43Å; L206-Q209 PolarHBondContact O-N 3.36Å |
| 207 | L | 94.4 | Very high | 83.9 | Confident | 5 Ų | 5 | 63.8 Ų | 63.8 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55 | -29.7 | 176.1 | -72.6 | 160.5 | 0 | 0 | 0 | 112.1 | Q3 V5 C32 D105 K204 L205 Q209 | Q3-L207 HydrophobicContact CB-CB 4.25Å; Q3-L207 HydrophobicContact CB-CD2 3.92Å; V5-L207 HydrophobicContact CG2-CB 4.43Å; V5-L207 HydrophobicContact CG2-CD2 3.67Å; V5-L207 HydrophobicContact CG2-CG 3.76Å; C32-L207 HydrophobicContact CB-CD1 4.42Å; D105-L207 HydrophobicContact CB-CD1 3.69Å; D105-L207 HydrophobicContact CB-CD2 4.03Å; D105-L207 HydrophobicContact CB-CG 4.47Å; K204-L207 HydrophobicContact CB-CD1 4.4Å; K204-L207 HydrophobicContact CG-CD1 4.5Å; K204-L207 VanDerWaalsContact O-CB 3.29Å; K204-L207 WeakPolarHBondContact O-CB 3.32Å; K204-L207 PolarHBondContact O-N 3.29Å; L205-L207 VanDerWaalsContact C-N 3.31Å; L205-L207 PolarHBondContact O-N 2.91Å; L207-Q209 VanDerWaalsContact C-N 3.35Å |
| 208 | N | 92.5 | Very high | 82.4 | Confident | 128 Ų | 128 | 67 Ų | 67 | 68% | 0.684 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | 7.6 | 178.9 | -62.6 | -46.6 | 0 | 0 | 0 | 113.9 | L206 | L206-N208 PolarHBondContact O-N 3.43Š|
| 209 | Q | 92.2 | Very high | 81 | Confident | 103 Ų | 103 | 65.8 Ų | 65.8 | 48% | 0.481 | 32% | 0.323 | S | S | . | . | trans | -126.6 | 56.5 | -177.4 | -57.9 | -172.5 | 16.3 | 0 | 0 | 112.8 | S133 L206 L207 | S133-Q209 PolarHBondContact OG-O 2.97Å; S133-Q209 VanDerWaalsContact OG-O 3.1Å; L206-Q209 PolarHBondContact O-N 3.36Å; L207-Q209 VanDerWaalsContact C-N 3.35Å | ||
| 210 | P | 94.2 | Very high | 79.5 | Confident | 43 Ų | 43 | 69 Ų | 69 | 28% | 0.279 | 34% | 0.338 | S | S | . | . | P | Polyproline II helix | trans | -63.2 | 147.9 | 179.2 | 28.4 | -35.5 | 0 | 0 | 0 | 111.5 | S131 S133 R212 | S131-P210 WeakPolarHBondContact O-CB 3.25Å; S133-P210 WeakPolarHBondContact OG-CA 3.34Å; P210-R212 PolarHBondContact O-N 2.9Å |
| 211 | I | 91.1 | Very high | 77.8 | Confident | 23 Ų | 23 | 74.1 Ų | 74.1 | 12% | 0.118 | 36% | 0.362 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 121 | 176.4 | -58.8 | 159.9 | 0 | 0 | 0 | 108.9 | Y124 A127 R128 C132 | Y124-I211 HydrophobicContact CD2-CD1 3.64Å; Y124-I211 HydrophobicContact CE2-CD1 3.43Å; Y124-I211 VanDerWaalsContact CE2-CD1 3.43Å; Y124-I211 HydrophobicContact CE2-CG1 4.07Å; Y124-I211 HydrophobicContact CE2-CG2 4.39Å; A127-I211 HydrophobicContact CB-CD1 3.83Å; R128-I211 HydrophobicContact CB-CB 4.4Å; R128-I211 HydrophobicContact CB-CD1 4.31Å; R128-I211 HydrophobicContact CB-CG2 3.95Å; R128-I211 HydrophobicContact CG-CG2 3.94Å; C132-I211 WeakPolarHBondContact O-CG1 3.48Å; C132-I211 PolarHBondContact O-N 2.94Å |
| 212 | R | 82.2 | Confident | 76.1 | Confident | 177 Ų | 177 | 75.7 Ų | 75.7 | 67% | 0.668 | 36% | 0.364 | S | S | * | . | P | Polyproline II helix | trans | -89.3 | 140.7 | 172.5 | -61 | -179.6 | 179.8 | -173.1 | 0 | 109.9 | P210 E214 D215 S216 | P210-R212 PolarHBondContact O-N 2.9Å; R212-E214 VanDerWaalsContact C-N 3.31Å; R212-E214 PolarHBondContact O-N 3.22Å; R212-D215 PolarHBondContact O-N 3.11Å; R212-S216 PolarHBondContact O-N 3.05Å |
| 213 | N | 70.4 | Confident | 74.4 | Confident | 95 Ų | 95 | 73.9 Ų | 73.9 | 51% | 0.508 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.6 | -40.6 | -179.1 | -77.6 | -25.1 | 0 | 0 | 0 | 112.1 | R128 D215 S216 V217 | R128-N213 WeakPolarHBondContact CG-OD1 3.49Å; N213-D215 PolarHBondContact O-N 3.27Å; N213-S216 WeakPolarHBondContact O-CB 3.41Å; N213-S216 PolarHBondContact O-N 3.46Å; N213-S216 VanDerWaalsContact O-N 3.13Å; N213-S216 PolarHBondContact O-OG 2.84Å; N213-V217 PolarHBondContact O-N 2.74Å; N213-V217 VanDerWaalsContact O-N 3.12Å |
| 214 | E | 59 | Low | 72.4 | Confident | 153 Ų | 153 | 81.7 Ų | 81.7 | 72% | 0.715 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -62.7 | -42.6 | -178.9 | -65.2 | 175.6 | -172.8 | 0 | 0 | 113.5 | R212 S216 V217 K218 | R212-E214 VanDerWaalsContact C-N 3.31Å; R212-E214 PolarHBondContact O-N 3.22Å; E214-S216 PolarHBondContact O-N 2.98Å; E214-V217 PolarHBondContact O-N 2.95Å; E214-K218 PolarHBondContact O-N 3.4Å |
| 215 | D | 58.5 | Low | 70.4 | Confident | 88 Ų | 88 | 83 Ų | 83 | 47% | 0.471 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64.5 | -29 | 176.3 | -66.4 | -32 | 0 | 0 | 0 | 111.5 | R212 N213 N219 | R212-D215 PolarHBondContact O-N 3.11Å; N213-D215 PolarHBondContact O-N 3.27Å; D215-N219 PolarHBondContact O-N 3.17Å |
| 216 | S | 56.7 | Low | 68.6 | Low | 2 Ų | 2 | 81.3 Ų | 81.3 | 1% | 0.014 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -77.4 | -38.5 | -180 | 84.3 | 0 | 0 | 0 | 0 | 113.1 | R128 R212 N213 E214 N219 E220 | R128-S216 WeakPolarHBondContact CD-OG 3.46Å; R128-S216 PolarHBondContact NH1-OG 3.17Å; R212-S216 PolarHBondContact O-N 3.05Å; N213-S216 WeakPolarHBondContact O-CB 3.41Å; N213-S216 PolarHBondContact O-N 3.46Å; N213-S216 VanDerWaalsContact O-N 3.13Å; N213-S216 PolarHBondContact O-OG 2.84Å; E214-S216 PolarHBondContact O-N 2.98Å; S216-N219 PolarHBondContact O-N 3.26Å; S216-E220 WeakPolarHBondContact O-CB 3.2Å; S216-E220 WeakPolarHBondContact O-CG 3.4Å; S216-E220 PolarHBondContact O-N 3.3Å |
| 217 | V | 57.7 | Low | 66.6 | Low | 71 Ų | 71 | 86 Ų | 86 | 43% | 0.43 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -62.3 | -45.5 | 177.4 | 176 | 0 | 0 | 0 | 0 | 109.9 | N213 E214 N219 E220 E221 | N213-V217 PolarHBondContact O-N 2.74Å; N213-V217 VanDerWaalsContact O-N 3.12Å; E214-V217 PolarHBondContact O-N 2.95Å; V217-N219 VanDerWaalsContact C-N 3.32Å; V217-N219 PolarHBondContact O-N 3.12Å; V217-E220 PolarHBondContact O-N 3.42Å; V217-E221 HydrophobicContact CG1-CG 4.49Å; V217-E221 WeakPolarHBondContact O-CG 3.41Å; V217-E221 PolarHBondContact O-N 2.84Å |
| 218 | K | 56.7 | Low | 64.6 | Low | 141 Ų | 141 | 90.2 Ų | 90.2 | 61% | 0.613 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -59 | -41.5 | 175.2 | -69.6 | 178.4 | 179.7 | 173.1 | 0 | 112.6 | E214 K222 | E214-K218 PolarHBondContact O-N 3.4Å; K218-K222 WeakPolarHBondContact O-CB 3.37Å; K218-K222 PolarHBondContact O-N 3.27Å |
| 219 | N | 58.9 | Low | 63.3 | Low | 41 Ų | 41 | 89.3 Ų | 89.3 | 22% | 0.219 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -70.5 | -37.4 | 177.4 | -83 | -15.8 | 0 | 0 | 0 | 112.7 | L178 D215 S216 V217 K222 N223 | L178-N219 WeakPolarHBondContact CD1-OD1 3.48Å; D215-N219 PolarHBondContact O-N 3.17Å; S216-N219 PolarHBondContact O-N 3.26Å; V217-N219 VanDerWaalsContact C-N 3.32Å; V217-N219 PolarHBondContact O-N 3.12Å; N219-K222 PolarHBondContact O-N 2.89Å; N219-N223 WeakPolarHBondContact O-CB 3.36Å; N219-N223 VanDerWaalsContact O-CG 3.28Å; N219-N223 PolarHBondContact O-N 3.12Å; N219-N223 PolarHBondContact O-ND2 2.65Å |
| 220 | E | 57.8 | Low | 62.2 | Low | 69 Ų | 69 | 86.8 Ų | 86.8 | 32% | 0.322 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -66.8 | -42.5 | 174.9 | -78.6 | -175 | 178.7 | 0 | 0 | 111.9 | R128 S216 V217 N223 R224 | R128-E220 IonicContact CZ-OE1 2.86Å; R128-E220 IonicContact NH1-OE1 3.18Å; R128-E220 PolarHBondContact NH1-OE1 2.76Å; R128-E220 IonicContact NH1-OE2 2.68Å; R128-E220 IonicContact NH2-OE1 3.38Å; R128-E220 PolarHBondContact NH2-OE1 2.94Å; S216-E220 WeakPolarHBondContact O-CB 3.2Å; S216-E220 WeakPolarHBondContact O-CG 3.4Å; S216-E220 PolarHBondContact O-N 3.3Å; V217-E220 PolarHBondContact O-N 3.42Å; E220-N223 PolarHBondContact O-N 3.38Å; E220-R224 WeakPolarHBondContact O-CB 3.47Å; E220-R224 WeakPolarHBondContact O-CG 3.33Å; E220-R224 PolarHBondContact O-N 3.03Å |
| 221 | E | 55.4 | Low | 61 | Low | 115 Ų | 115 | 89.7 Ų | 89.7 | 54% | 0.537 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.5 | -48.8 | 172.6 | -74.8 | 175.1 | 172.9 | 0 | 0 | 110.7 | V217 N223 R224 S225 | V217-E221 HydrophobicContact CG1-CG 4.49Å; V217-E221 WeakPolarHBondContact O-CG 3.41Å; V217-E221 PolarHBondContact O-N 2.84Å; E221-N223 VanDerWaalsContact C-N 3.32Å; E221-N223 PolarHBondContact O-N 2.97Å; E221-R224 PolarHBondContact O-N 3.26Å; E221-S225 WeakPolarHBondContact O-CB 3.36Å; E221-S225 PolarHBondContact O-N 3.07Å; E221-S225 PolarHBondContact O-OG 3.16Å |
| 222 | K | 54.9 | Low | 60.2 | Low | 114 Ų | 114 | 92.6 Ų | 92.6 | 50% | 0.496 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60 | -39.4 | 177.7 | -169.1 | 173.6 | -179.7 | 179.8 | 0 | 112.7 | L178 K218 N219 K226 | L178-K222 HydrophobicContact CD1-CD 3.88Å; K218-K222 WeakPolarHBondContact O-CB 3.37Å; K218-K222 PolarHBondContact O-N 3.27Å; N219-K222 PolarHBondContact O-N 2.89Å; K222-K226 WeakPolarHBondContact O-CG 3.39Å; K222-K226 PolarHBondContact O-N 3.47Å; K222-K226 VanDerWaalsContact O-N 3.12Å |
| 223 | N | 55 | Low | 60.1 | Low | 24 Ų | 24 | 84.8 Ų | 84.8 | 13% | 0.128 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -73 | -39.2 | 176.9 | -71.8 | -18.3 | 0 | 0 | 0 | 112.5 | N176 N219 E220 E221 K226 L227 | N176-N223 PolarHBondContact O-OD1 3.33Å; N219-N223 WeakPolarHBondContact O-CB 3.36Å; N219-N223 VanDerWaalsContact O-CG 3.28Å; N219-N223 PolarHBondContact O-N 3.12Å; N219-N223 PolarHBondContact O-ND2 2.65Å; E220-N223 PolarHBondContact O-N 3.38Å; E221-N223 VanDerWaalsContact C-N 3.32Å; E221-N223 PolarHBondContact O-N 2.97Å; N223-K226 PolarHBondContact O-N 2.84Å; N223-L227 PolarHBondContact O-N 2.71Å |
| 224 | R | 52.6 | Low | 60.7 | Low | 165 Ų | 165 | 81 Ų | 81 | 62% | 0.623 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.5 | -44.2 | 172.5 | -80.6 | 179.8 | 170.3 | 163.1 | -0.7 | 110.9 | E220 E221 K226 L227 I228 | E220-R224 WeakPolarHBondContact O-CB 3.47Å; E220-R224 WeakPolarHBondContact O-CG 3.33Å; E220-R224 PolarHBondContact O-N 3.03Å; E221-R224 PolarHBondContact O-N 3.26Å; R224-K226 VanDerWaalsContact C-N 3.31Å; R224-K226 PolarHBondContact O-N 3.31Å; R224-L227 PolarHBondContact O-N 3.13Å; R224-I228 WeakPolarHBondContact O-CB 3.49Å; R224-I228 WeakPolarHBondContact O-CD1 3.4Å; R224-I228 WeakPolarHBondContact O-CG1 3.18Å; R224-I228 PolarHBondContact O-N 3.49Å |
| 225 | S | 49.9 | Very low | 61.8 | Low | 65 Ų | 65 | 79 Ų | 79 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 174.8 | -57.7 | 0 | 0 | 0 | 0 | 112.2 | E221 N229 | E221-S225 WeakPolarHBondContact O-CB 3.36Å; E221-S225 PolarHBondContact O-N 3.07Å; E221-S225 PolarHBondContact O-OG 3.16Å; S225-N229 WeakPolarHBondContact O-CB 3.46Å; S225-N229 PolarHBondContact O-N 2.9Å; S225-N229 PolarHBondContact O-ND2 3.2Å |
| 226 | K | 55.7 | Low | 63 | Low | 81 Ų | 81 | 77.4 Ų | 77.4 | 35% | 0.352 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -46.7 | 174.7 | -75 | -178.6 | 177.1 | -171 | 0 | 112.7 | K222 N223 R224 N229 L230 | K222-K226 WeakPolarHBondContact O-CG 3.39Å; K222-K226 PolarHBondContact O-N 3.47Å; K222-K226 VanDerWaalsContact O-N 3.12Å; N223-K226 PolarHBondContact O-N 2.84Å; R224-K226 VanDerWaalsContact C-N 3.31Å; R224-K226 PolarHBondContact O-N 3.31Å; K226-N229 WeakPolarHBondContact O-CB 3.21Å; K226-N229 PolarHBondContact O-N 3.07Å; K226-L230 PolarHBondContact O-N 3.4Å |
| 227 | L | 52.7 | Low | 64.5 | Low | 104 Ų | 104 | 77.3 Ų | 77.3 | 55% | 0.545 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -64.4 | -43 | 178.3 | -78.4 | 161.5 | 0 | 0 | 0 | 111.8 | N223 R224 N229 L230 D231 | N223-L227 PolarHBondContact O-N 2.71Å; R224-L227 PolarHBondContact O-N 3.13Å; L227-N229 VanDerWaalsContact C-N 3.29Å; L227-N229 PolarHBondContact O-N 3.24Å; L227-L230 WeakPolarHBondContact O-CB 3.37Å; L227-L230 PolarHBondContact O-N 2.67Å; L227-L230 VanDerWaalsContact O-N 3.12Å; L227-D231 PolarHBondContact O-N 3.31Å |
| 228 | I | 52.2 | Low | 66 | Low | 92 Ų | 92 | 76.2 Ų | 76.2 | 47% | 0.472 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.6 | -41.1 | 174.3 | -69.2 | 164.7 | 0 | 0 | 0 | 110.3 | R224 L230 N232 | R224-I228 WeakPolarHBondContact O-CB 3.49Å; R224-I228 WeakPolarHBondContact O-CD1 3.4Å; R224-I228 WeakPolarHBondContact O-CG1 3.18Å; R224-I228 PolarHBondContact O-N 3.49Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 3.27Å; I228-N232 WeakPolarHBondContact O-CB 3.44Å; I228-N232 PolarHBondContact O-N 2.87Å; I228-N232 PolarHBondContact O-ND2 2.95Å |
| 229 | N | 65.5 | Low | 67.5 | Low | 110 Ų | 110 | 71.4 Ų | 71.4 | 59% | 0.588 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -64.8 | -36.6 | 175.1 | -75.4 | -13.6 | 0 | 0 | 0 | 112.4 | S225 K226 L227 L233 | S225-N229 WeakPolarHBondContact O-CB 3.46Å; S225-N229 PolarHBondContact O-N 2.9Å; S225-N229 PolarHBondContact O-ND2 3.2Å; K226-N229 WeakPolarHBondContact O-CB 3.21Å; K226-N229 PolarHBondContact O-N 3.07Å; L227-N229 VanDerWaalsContact C-N 3.29Å; L227-N229 PolarHBondContact O-N 3.24Å; N229-L233 WeakPolarHBondContact O-CB 3.49Å; N229-L233 PolarHBondContact O-N 2.85Å |
| 230 | L | 68.6 | Low | 69 | Low | 50 Ų | 50 | 71.1 Ų | 71.1 | 26% | 0.262 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -69.4 | -48.7 | 178.3 | -162.9 | 71.3 | 0 | 0 | 0 | 112.2 | K226 L227 I228 N232 L233 L234 I279 | K226-L230 PolarHBondContact O-N 3.4Å; L227-L230 WeakPolarHBondContact O-CB 3.37Å; L227-L230 PolarHBondContact O-N 2.67Å; L227-L230 VanDerWaalsContact O-N 3.12Å; I228-L230 VanDerWaalsContact C-N 3.33Å; I228-L230 PolarHBondContact O-N 3.27Å; L230-N232 VanDerWaalsContact C-N 3.32Å; L230-N232 PolarHBondContact O-N 3.49Å; L230-L233 WeakPolarHBondContact O-CB 3.49Å; L230-L233 PolarHBondContact O-N 3.48Å; L230-L233 VanDerWaalsContact O-N 3.14Å; L230-L234 HydrophobicContact CG-CD1 4.2Å; L230-L234 WeakPolarHBondContact O-CB 3.17Å; L230-L234 WeakPolarHBondContact O-CG 3.15Å; L230-L234 PolarHBondContact O-N 3.46Å; L230-I279 HydrophobicContact CD1-CG2 3.2Å; L230-I279 HydrophobicContact CG-CG2 4.22Å |
| 231 | D | 69.6 | Low | 70.6 | Confident | 104 Ų | 104 | 67.9 Ų | 67.9 | 56% | 0.556 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -63.4 | -42 | 177.5 | -77.3 | -15.2 | 0 | 0 | 0 | 110.4 | L227 L233 H235 | L227-D231 PolarHBondContact O-N 3.31Å; D231-L233 VanDerWaalsContact C-N 3.32Å; D231-L233 PolarHBondContact O-N 3.23Å; D231-H235 WeakPolarHBondContact O-CB 3.17Å; D231-H235 PolarHBondContact O-N 3.14Å |
| 232 | N | 75.6 | Confident | 72.3 | Confident | 84 Ų | 84 | 68.5 Ų | 68.5 | 45% | 0.449 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.6 | -40.4 | 172.7 | -75.2 | -18 | 0 | 0 | 0 | 111.6 | I228 L230 N236 | I228-N232 WeakPolarHBondContact O-CB 3.44Å; I228-N232 PolarHBondContact O-N 2.87Å; I228-N232 PolarHBondContact O-ND2 2.95Å; L230-N232 VanDerWaalsContact C-N 3.32Å; L230-N232 PolarHBondContact O-N 3.49Å; N232-N236 WeakPolarHBondContact O-CB 3.42Å; N232-N236 PolarHBondContact O-N 2.93Å; N232-N236 PolarHBondContact O-ND2 2.91Å |
| 233 | L | 78.7 | Confident | 74.1 | Confident | 12 Ų | 12 | 69.7 Ų | 69.7 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.5 | -52.3 | 178.1 | 178.7 | 68.1 | 0 | 0 | 0 | 111.2 | N229 L230 D231 H235 N236 V237 I279 I288 W291 | N229-L233 WeakPolarHBondContact O-CB 3.49Å; N229-L233 PolarHBondContact O-N 2.85Å; L230-L233 WeakPolarHBondContact O-CB 3.49Å; L230-L233 PolarHBondContact O-N 3.48Å; L230-L233 VanDerWaalsContact O-N 3.14Å; D231-L233 VanDerWaalsContact C-N 3.32Å; D231-L233 PolarHBondContact O-N 3.23Å; L233-H235 VanDerWaalsContact C-N 3.31Å; L233-H235 PolarHBondContact O-N 2.76Å; L233-N236 PolarHBondContact O-N 3Å; L233-N236 VanDerWaalsContact O-N 3.15Å; L233-V237 HydrophobicContact CD1-CG2 4.48Å; L233-V237 WeakPolarHBondContact O-CG2 3.41Å; L233-V237 PolarHBondContact O-N 2.84Å; L233-I279 HydrophobicContact CD2-CD1 4.27Å; L233-I279 HydrophobicContact CD2-CG2 4.27Å; L233-I288 HydrophobicContact CD1-CB 4.38Å; L233-I288 HydrophobicContact CD1-CG1 3.83Å; L233-W291 HydrophobicContact CD1-CB 4.27Å; L233-W291 HydrophobicContact CD1-CG 4.15Å; L233-W291 HydrophobicContact CD2-CG 4.47Å |
| 234 | L | 82.5 | Confident | 75.9 | Confident | 17 Ų | 17 | 69 Ų | 69 | 9% | 0.089 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.4 | -41.6 | 179.5 | -70.8 | 168.3 | 0 | 0 | 0 | 111.5 | L230 V237 D238 I279 | L230-L234 HydrophobicContact CG-CD1 4.2Å; L230-L234 WeakPolarHBondContact O-CB 3.17Å; L230-L234 WeakPolarHBondContact O-CG 3.15Å; L230-L234 PolarHBondContact O-N 3.46Å; L234-V237 PolarHBondContact O-N 2.96Å; L234-D238 PolarHBondContact O-N 3.25Å; L234-I279 HydrophobicContact CD2-CD1 3.65Å; L234-I279 HydrophobicContact CD2-CG2 4.41Å |
| 235 | H | 82.7 | Confident | 77.7 | Confident | 109 Ų | 109 | 61.3 Ų | 61.3 | 51% | 0.505 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.4 | -43.1 | 175.2 | -174.2 | 60.1 | 0 | 0 | 0 | 112.4 | D231 L233 V237 D238 I239 | D231-H235 WeakPolarHBondContact O-CB 3.17Å; D231-H235 PolarHBondContact O-N 3.14Å; L233-H235 VanDerWaalsContact C-N 3.31Å; L233-H235 PolarHBondContact O-N 2.76Å; H235-V237 VanDerWaalsContact C-N 3.34Å; H235-V237 PolarHBondContact O-N 3.01Å; H235-D238 PolarHBondContact O-N 3.05Å; H235-I239 VanDerWaalsContact NE2-CD1 3.33Å; H235-I239 WeakPolarHBondContact NE2-CD1 3.33Å; H235-I239 WeakPolarHBondContact O-CG1 3.37Å; H235-I239 PolarHBondContact O-N 3.41Å |
| 236 | N | 84.2 | Confident | 79.7 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 30% | 0.299 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -65.9 | -36.5 | 177.4 | -82 | -56.1 | 0 | 0 | 0 | 112.5 | N232 L233 H240 I288 | N232-N236 WeakPolarHBondContact O-CB 3.42Å; N232-N236 PolarHBondContact O-N 2.93Å; N232-N236 PolarHBondContact O-ND2 2.91Å; L233-N236 PolarHBondContact O-N 3Å; L233-N236 VanDerWaalsContact O-N 3.15Å; N236-H240 WeakPolarHBondContact O-CB 3.4Å; N236-H240 PolarHBondContact O-N 3.43Å; N236-I288 HydrophobicContact CB-CG2 4.01Å |
| 237 | V | 87 | Confident | 81.5 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -70.1 | -42.5 | 176.7 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | L233 L234 H235 H240 L241 L275 W291 A295 | L233-V237 HydrophobicContact CD1-CG2 4.48Å; L233-V237 WeakPolarHBondContact O-CG2 3.41Å; L233-V237 PolarHBondContact O-N 2.84Å; L234-V237 PolarHBondContact O-N 2.96Å; H235-V237 VanDerWaalsContact C-N 3.34Å; H235-V237 PolarHBondContact O-N 3.01Å; V237-H240 PolarHBondContact O-N 3.16Å; V237-L241 HydrophobicContact CG1-CD1 4.31Å; V237-L241 WeakPolarHBondContact O-CB 3.47Å; V237-L241 PolarHBondContact O-N 3.46Å; V237-L275 HydrophobicContact CG1-CD1 3.72Å; V237-W291 HydrophobicContact CG2-CB 3.81Å; V237-A295 HydrophobicContact CG1-CB 3.86Å |
| 238 | D | 89.8 | Confident | 83.3 | Confident | 48 Ų | 48 | 59.1 Ų | 59.1 | 26% | 0.257 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61 | -45.1 | 173.4 | 175.6 | 40.7 | 0 | 0 | 0 | 111.9 | L234 H235 H240 L241 R242 L272 | L234-D238 PolarHBondContact O-N 3.25Å; H235-D238 PolarHBondContact O-N 3.05Å; D238-H240 VanDerWaalsContact C-N 3.27Å; D238-H240 PolarHBondContact O-N 3.35Å; D238-L241 PolarHBondContact O-N 3.23Å; D238-R242 WeakPolarHBondContact O-CB 3.35Å; D238-R242 PolarHBondContact O-N 3.07Å; D238-L272 HydrophobicContact CB-CD1 4.14Å |
| 239 | I | 89.4 | Confident | 85.2 | Confident | 40 Ų | 40 | 56.2 Ų | 56.2 | 21% | 0.205 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -57.3 | -43.6 | 175.1 | -73.3 | 171.8 | 0 | 0 | 0 | 110.9 | H235 K243 | H235-I239 VanDerWaalsContact NE2-CD1 3.33Å; H235-I239 WeakPolarHBondContact NE2-CD1 3.33Å; H235-I239 WeakPolarHBondContact O-CG1 3.37Å; H235-I239 PolarHBondContact O-N 3.41Å; I239-K243 WeakPolarHBondContact O-CG 3.34Å; I239-K243 PolarHBondContact O-N 3.06Å; I239-K243 VanDerWaalsContact O-N 3.15Å |
| 240 | H | 89.8 | Confident | 86.4 | Confident | 35 Ų | 35 | 59.8 Ų | 59.8 | 16% | 0.162 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.2 | -50.8 | -179.9 | -175.7 | 86.8 | 0 | 0 | 0 | 111.6 | N236 V237 D238 R242 K243 V244 Q292 E296 | N236-H240 WeakPolarHBondContact O-CB 3.4Å; N236-H240 PolarHBondContact O-N 3.43Å; V237-H240 PolarHBondContact O-N 3.16Å; D238-H240 VanDerWaalsContact C-N 3.27Å; D238-H240 PolarHBondContact O-N 3.35Å; H240-R242 VanDerWaalsContact C-N 3.29Å; H240-R242 PolarHBondContact O-N 3.46Å; H240-K243 WeakPolarHBondContact O-CA 3.2Å; H240-K243 WeakPolarHBondContact O-CB 3.43Å; H240-K243 PolarHBondContact O-N 3.4Å; H240-V244 PolarHBondContact O-N 3.16Å; H240-Q292 HydrophobicContact CB-CB 4.35Å; H240-Q292 HydrophobicContact CB-CG 3.71Å; H240-E296 IonicContact NE2-OE2 3.82Å |
| 241 | L | 91.2 | Very high | 87.5 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -55 | -44.2 | 175.7 | -85.2 | 174.2 | 0 | 0 | 0 | 111.9 | V237 D238 K243 V244 T245 K268 C271 L275 A295 F299 | V237-L241 HydrophobicContact CG1-CD1 4.31Å; V237-L241 WeakPolarHBondContact O-CB 3.47Å; V237-L241 PolarHBondContact O-N 3.46Å; D238-L241 PolarHBondContact O-N 3.23Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.42Å; L241-V244 PolarHBondContact O-N 3.27Å; L241-T245 WeakPolarHBondContact O-CB 3.42Å; L241-T245 PolarHBondContact O-N 2.94Å; L241-T245 PolarHBondContact O-OG1 3.42Å; L241-K268 HydrophobicContact CB-CG 3.99Å; L241-C271 HydrophobicContact CD1-CB 4.21Å; L241-L275 HydrophobicContact CD1-CD1 3.93Å; L241-A295 HydrophobicContact CD1-CB 4.24Å; L241-A295 HydrophobicContact CD2-CB 4.01Å; L241-A295 WeakPolarHBondContact CD2-O 3.34Å; L241-A295 HydrophobicContact CG-CB 3.96Å; L241-F299 HydrophobicContact CD2-CB 4.02Å |
| 242 | R | 91.2 | Very high | 88.5 | Confident | 128 Ų | 128 | 60.4 Ų | 60.4 | 48% | 0.483 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -60.1 | -36.8 | 175.3 | -177.2 | 177.5 | 61.6 | 177.7 | -3.6 | 112.5 | D238 H240 N246 | D238-R242 WeakPolarHBondContact O-CB 3.35Å; D238-R242 PolarHBondContact O-N 3.07Å; H240-R242 VanDerWaalsContact C-N 3.29Å; H240-R242 PolarHBondContact O-N 3.46Å; R242-N246 VanDerWaalsContact O-CB 3.26Å; R242-N246 WeakPolarHBondContact O-CB 3.22Å; R242-N246 PolarHBondContact O-N 2.92Å; R242-N246 VanDerWaalsContact O-N 3.11Å; R242-N246 PolarHBondContact O-ND2 3.09Å |
| 243 | K | 92.7 | Very high | 89.3 | Confident | 140 Ų | 140 | 61.3 Ų | 61.3 | 61% | 0.609 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -67.7 | -48 | 175.6 | -73.3 | 174.6 | -179.4 | 178.6 | 0 | 110.9 | I239 H240 L241 N246 H247 | I239-K243 WeakPolarHBondContact O-CG 3.34Å; I239-K243 PolarHBondContact O-N 3.06Å; I239-K243 VanDerWaalsContact O-N 3.15Å; H240-K243 WeakPolarHBondContact O-CA 3.2Å; H240-K243 WeakPolarHBondContact O-CB 3.43Å; H240-K243 PolarHBondContact O-N 3.4Å; L241-K243 VanDerWaalsContact C-N 3.28Å; L241-K243 PolarHBondContact O-N 3.42Å; K243-N246 PolarHBondContact O-N 3.34Å; K243-H247 WeakPolarHBondContact O-CB 3.46Å; K243-H247 PolarHBondContact O-N 3.15Å |
| 244 | V | 91.8 | Very high | 89.9 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 6% | 0.055 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -57.6 | -55.3 | 177.8 | 173.7 | 0 | 0 | 0 | 0 | 110 | H240 L241 N246 H247 T248 E296 F299 Y300 | H240-V244 PolarHBondContact O-N 3.16Å; L241-V244 PolarHBondContact O-N 3.27Å; V244-N246 VanDerWaalsContact C-N 3.33Å; V244-N246 PolarHBondContact O-N 2.94Å; V244-H247 WeakPolarHBondContact O-CA 3.35Å; V244-H247 WeakPolarHBondContact O-CB 3.34Å; V244-H247 PolarHBondContact O-N 3.39Å; V244-T248 PolarHBondContact O-N 3.33Å; V244-T248 PolarHBondContact O-OG1 3.06Å; V244-E296 HydrophobicContact CG1-CG 4.17Å; V244-E296 HydrophobicContact CG2-CB 4.39Å; V244-E296 HydrophobicContact CG2-CG 4.1Å; V244-F299 HydrophobicContact CG1-CD1 3.73Å; V244-F299 HydrophobicContact CG1-CE1 4.02Å; V244-F299 HydrophobicContact CG1-CG 4.48Å; V244-Y300 HydrophobicContact CG1-CE2 4.14Å |
| 245 | T | 91.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 70.1 Ų | 70.1 | 3% | 0.025 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -55.7 | -45.8 | 179.1 | -53.1 | 0 | 0 | 0 | 0 | 112.1 | L241 H247 T248 I249 A264 F299 | L241-T245 WeakPolarHBondContact O-CB 3.42Å; L241-T245 PolarHBondContact O-N 2.94Å; L241-T245 PolarHBondContact O-OG1 3.42Å; T245-H247 VanDerWaalsContact C-N 3.34Å; T245-H247 PolarHBondContact O-N 2.89Å; T245-T248 PolarHBondContact O-N 3.39Å; T245-I249 HydrophobicContact CG2-CD1 3.89Å; T245-I249 VanDerWaalsContact O-CG1 3.26Å; T245-I249 WeakPolarHBondContact O-CG1 3.42Å; T245-I249 PolarHBondContact O-N 3.06Å; T245-A264 HydrophobicContact CG2-CB 4.18Å; T245-F299 HydrophobicContact CG2-CE2 4.2Å; T245-F299 HydrophobicContact CG2-CZ 4.1Å; T245-F299 WeakPolarHBondContact OG1-CE2 3.42Å |
| 246 | N | 92.1 | Very high | 90.7 | Very high | 74 Ų | 74 | 66.1 Ų | 66.1 | 40% | 0.396 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65.7 | -37.3 | 178.1 | -78.2 | -33.2 | 0 | 0 | 0 | 112.6 | R242 K243 V244 R250 | R242-N246 VanDerWaalsContact O-CB 3.26Å; R242-N246 WeakPolarHBondContact O-CB 3.22Å; R242-N246 PolarHBondContact O-N 2.92Å; R242-N246 VanDerWaalsContact O-N 3.11Å; R242-N246 PolarHBondContact O-ND2 3.09Å; K243-N246 PolarHBondContact O-N 3.34Å; V244-N246 VanDerWaalsContact C-N 3.33Å; V244-N246 PolarHBondContact O-N 2.94Å; N246-R250 WeakPolarHBondContact O-CB 3.18Å; N246-R250 WeakPolarHBondContact O-CG 3.36Å; N246-R250 PolarHBondContact O-N 2.87Å |
| 247 | H | 92.1 | Very high | 91 | Very high | 125 Ų | 125 | 68.5 Ų | 68.5 | 58% | 0.579 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -64.7 | -47.9 | 175.6 | -177.5 | 76.1 | 0 | 0 | 0 | 110.7 | K243 V244 T245 I249 R250 S251 | K243-H247 WeakPolarHBondContact O-CB 3.46Å; K243-H247 PolarHBondContact O-N 3.15Å; V244-H247 WeakPolarHBondContact O-CA 3.35Å; V244-H247 WeakPolarHBondContact O-CB 3.34Å; V244-H247 PolarHBondContact O-N 3.39Å; T245-H247 VanDerWaalsContact C-N 3.34Å; T245-H247 PolarHBondContact O-N 2.89Å; H247-I249 PolarHBondContact O-N 2.75Å; H247-R250 PolarHBondContact O-N 3.1Å; H247-R250 VanDerWaalsContact O-N 3.15Å; H247-S251 PolarHBondContact O-N 2.97Å; H247-S251 PolarHBondContact O-OG 3.4Å |
| 248 | T | 92 | Very high | 91.1 | Very high | 5 Ų | 5 | 74.1 Ų | 74.1 | 3% | 0.031 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -57.7 | -46.3 | 175.9 | -47.9 | 0 | 0 | 0 | 0 | 111.6 | V244 T245 R250 S251 K252 W256 Y300 L303 | V244-T248 PolarHBondContact O-N 3.33Å; V244-T248 PolarHBondContact O-OG1 3.06Å; T245-T248 PolarHBondContact O-N 3.39Å; T248-R250 VanDerWaalsContact C-N 3.3Å; T248-R250 PolarHBondContact O-N 2.91Å; T248-S251 PolarHBondContact O-N 3.45Å; T248-S251 PolarHBondContact O-OG 3.49Å; T248-S251 VanDerWaalsContact O-OG 3.08Å; T248-K252 WeakPolarHBondContact O-CG 3.16Å; T248-W256 HydrophobicContact CG2-CH2 4.24Å; T248-Y300 HydrophobicContact CG2-CE1 4.49Å; T248-L303 HydrophobicContact CG2-CD2 3.8Å |
| 249 | I | 90.7 | Very high | 91.1 | Very high | 30 Ų | 30 | 76.5 Ų | 76.5 | 15% | 0.154 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.6 | -39.9 | 178.3 | -68 | 168.1 | 0 | 0 | 0 | 111 | T245 H247 W256 R257 A261 A264 | T245-I249 HydrophobicContact CG2-CD1 3.89Å; T245-I249 VanDerWaalsContact O-CG1 3.26Å; T245-I249 WeakPolarHBondContact O-CG1 3.42Å; T245-I249 PolarHBondContact O-N 3.06Å; H247-I249 PolarHBondContact O-N 2.75Å; I249-W256 HydrophobicContact CG1-CZ3 4.23Å; I249-R257 HydrophobicContact CG2-CG 4.14Å; I249-R257 WeakPolarHBondContact O-CG 3.3Å; I249-R257 PolarHBondContact O-NE 2.83Å; I249-A261 HydrophobicContact CD1-CB 4.26Å; I249-A261 HydrophobicContact CG1-CB 4.36Å; I249-A261 HydrophobicContact CG2-CB 4.2Å; I249-A264 HydrophobicContact CD1-CB 4.39Å; I249-A264 HydrophobicContact CG1-CB 4.3Å |
| 250 | R | 90.9 | Very high | 91.3 | Very high | 186 Ų | 186 | 76 Ų | 76 | 70% | 0.702 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -76.1 | -27.6 | -178.4 | -73.8 | 175 | -178.4 | -168.1 | 0.8 | 114.1 | N246 H247 T248 K252 R257 | N246-R250 WeakPolarHBondContact O-CB 3.18Å; N246-R250 WeakPolarHBondContact O-CG 3.36Å; N246-R250 PolarHBondContact O-N 2.87Å; H247-R250 PolarHBondContact O-N 3.1Å; H247-R250 VanDerWaalsContact O-N 3.15Å; T248-R250 VanDerWaalsContact C-N 3.3Å; T248-R250 PolarHBondContact O-N 2.91Å; R250-K252 VanDerWaalsContact C-N 3.26Å; R250-R257 PolarHBondContact O-NH2 3.32Å |
| 251 | S | 91.6 | Very high | 91.3 | Very high | 80 Ų | 80 | 75.5 Ų | 75.5 | 56% | 0.559 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -77.8 | -14.4 | 178.7 | 64.5 | 0 | 0 | 0 | 0 | 113.1 | H247 T248 | H247-S251 PolarHBondContact O-N 2.97Å; H247-S251 PolarHBondContact O-OG 3.4Å; T248-S251 PolarHBondContact O-N 3.45Å; T248-S251 PolarHBondContact O-OG 3.49Å; T248-S251 VanDerWaalsContact O-OG 3.08Å |
| 252 | K | 91.3 | Very high | 91.3 | Very high | 87 Ų | 87 | 83 Ų | 83 | 38% | 0.378 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -93.6 | 158.7 | -179.3 | -59.2 | -72 | -180 | -178.8 | 0 | 112.2 | T248 R250 W256 R257 | T248-K252 WeakPolarHBondContact O-CG 3.16Å; R250-K252 VanDerWaalsContact C-N 3.26Å; K252-W256 HydrophobicContact CB-CB 3.94Å; K252-W256 HydrophobicContact CB-CD2 3.53Å; K252-W256 HydrophobicContact CB-CE3 3.38Å; K252-W256 HydrophobicContact CB-CG 3.78Å; K252-W256 HydrophobicContact CB-CZ3 4.14Å; K252-W256 HydrophobicContact CD-CD2 4.05Å; K252-W256 HydrophobicContact CD-CG 4.15Å; K252-W256 HydrophobicContact CG-CD2 3.52Å; K252-W256 HydrophobicContact CG-CE3 3.57Å; K252-W256 HydrophobicContact CG-CG 4.01Å; K252-W256 HydrophobicContact CG-CH2 4.31Å; K252-W256 HydrophobicContact CG-CZ2 4.25Å; K252-W256 HydrophobicContact CG-CZ3 3.99Å; K252-R257 VanDerWaalsContact O-CZ 3.29Å; K252-R257 PolarHBondContact O-NE 2.89Å; K252-R257 PolarHBondContact O-NH2 3.1Å |
| 253 | D | 91.4 | Very high | 91.4 | Very high | 103 Ų | 103 | 78.5 Ų | 78.5 | 55% | 0.551 | 39% | 0.39 | S | S | * | . | trans | -74.1 | 175.8 | -179.2 | 71.3 | 6.7 | 0 | 0 | 0 | 113 | L255 W256 R257 | D253-L255 VanDerWaalsContact C-N 3.33Å; D253-L255 PolarHBondContact O-N 3.01Å; D253-L255 PolarHBondContact OD1-N 3.32Å; D253-W256 WeakPolarHBondContact OD1-CB 3.38Å; D253-W256 PolarHBondContact OD1-N 3.02Å; D253-R257 VanDerWaalsContact O-CG 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.45Å; D253-R257 PolarHBondContact O-N 3.36Å; D253-R257 VanDerWaalsContact O-N 3.11Å | ||
| 254 | C | 91.3 | Very high | 91.3 | Very high | 101 Ų | 101 | 71.8 Ų | 71.8 | 68% | 0.682 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | -176.6 | -168.3 | 0 | 0 | 0 | 0 | 112.8 | R257 T258 | C254-R257 PolarHBondContact O-N 3.33Å; C254-T258 PolarHBondContact O-N 3.07Å; C254-T258 VanDerWaalsContact O-N 3.14Å; C254-T258 PolarHBondContact O-OG1 2.93Å |
| 255 | L | 90.5 | Very high | 91.3 | Very high | 112 Ų | 112 | 73.7 Ų | 73.7 | 59% | 0.586 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -65.9 | -49.2 | -178.5 | -177 | 66.9 | 0 | 0 | 0 | 110.6 | D253 R257 T258 Q259 | D253-L255 VanDerWaalsContact C-N 3.33Å; D253-L255 PolarHBondContact O-N 3.01Å; D253-L255 PolarHBondContact OD1-N 3.32Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-R257 PolarHBondContact O-N 3.14Å; L255-T258 PolarHBondContact O-N 2.93Å; L255-Q259 PolarHBondContact O-N 3.31Å |
| 256 | W | 92.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 77.9 Ų | 77.9 | 10% | 0.098 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -59.8 | -43.3 | 177.6 | -173.1 | 98.1 | 0 | 0 | 0 | 111.3 | T248 I249 K252 D253 T258 Q259 Y260 A264 L303 | T248-W256 HydrophobicContact CG2-CH2 4.24Å; I249-W256 HydrophobicContact CG1-CZ3 4.23Å; K252-W256 HydrophobicContact CB-CB 3.94Å; K252-W256 HydrophobicContact CB-CD2 3.53Å; K252-W256 HydrophobicContact CB-CE3 3.38Å; K252-W256 HydrophobicContact CB-CG 3.78Å; K252-W256 HydrophobicContact CB-CZ3 4.14Å; K252-W256 HydrophobicContact CD-CD2 4.05Å; K252-W256 HydrophobicContact CD-CG 4.15Å; K252-W256 HydrophobicContact CG-CD2 3.52Å; K252-W256 HydrophobicContact CG-CE3 3.57Å; K252-W256 HydrophobicContact CG-CG 4.01Å; K252-W256 HydrophobicContact CG-CH2 4.31Å; K252-W256 HydrophobicContact CG-CZ2 4.25Å; K252-W256 HydrophobicContact CG-CZ3 3.99Å; D253-W256 WeakPolarHBondContact OD1-CB 3.38Å; D253-W256 PolarHBondContact OD1-N 3.02Å; W256-T258 VanDerWaalsContact C-N 3.31Å; W256-T258 PolarHBondContact O-N 3.27Å; W256-Q259 PolarHBondContact O-N 3.43Å; W256-Q259 VanDerWaalsContact O-N 3.17Å; W256-Y260 HydrophobicContact CB-CD2 4.5Å; W256-Y260 AromaticContact CD1-CD2 3.55Å; W256-Y260 HydrophobicContact CD2-CD2 4.04Å; W256-Y260 HydrophobicContact CD2-CG 4.35Å; W256-Y260 AromaticContact CE2-CD2 3.91Å; W256-Y260 AromaticContact CE2-CG 4Å; W256-Y260 AromaticContact CG-CD2 3.82Å; W256-Y260 HydrophobicContact CG-CD2 3.82Å; W256-Y260 HydrophobicContact CZ2-CG 4.32Å; W256-Y260 AromaticContact NE1-CD2 3.59Å; W256-Y260 WeakPolarHBondContact O-CB 3.37Å; W256-Y260 WeakPolarHBondContact O-CD2 3.48Å; W256-Y260 PolarHBondContact O-N 2.67Å; W256-A264 HydrophobicContact CH2-CB 4.32Å; W256-L303 HydrophobicContact CZ2-CD1 4.35Å; W256-L303 HydrophobicContact CZ2-CD2 4.42Å |
| 257 | R | 90.8 | Very high | 91.4 | Very high | 106 Ų | 106 | 74.7 Ų | 74.7 | 40% | 0.4 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -60 | -42.1 | 178.6 | -72.2 | 176 | -161.8 | -176.5 | 6.7 | 112.1 | I249 R250 K252 D253 C254 L255 Q259 A261 | I249-R257 HydrophobicContact CG2-CG 4.14Å; I249-R257 WeakPolarHBondContact O-CG 3.3Å; I249-R257 PolarHBondContact O-NE 2.83Å; R250-R257 PolarHBondContact O-NH2 3.32Å; K252-R257 VanDerWaalsContact O-CZ 3.29Å; K252-R257 PolarHBondContact O-NE 2.89Å; K252-R257 PolarHBondContact O-NH2 3.1Å; D253-R257 VanDerWaalsContact O-CG 3.25Å; D253-R257 WeakPolarHBondContact O-CG 3.45Å; D253-R257 PolarHBondContact O-N 3.36Å; D253-R257 VanDerWaalsContact O-N 3.11Å; C254-R257 PolarHBondContact O-N 3.33Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-R257 PolarHBondContact O-N 3.14Å; R257-Q259 VanDerWaalsContact C-N 3.26Å; R257-Q259 PolarHBondContact O-N 3.1Å; R257-A261 WeakPolarHBondContact O-CB 3.24Å; R257-A261 PolarHBondContact O-N 3.27Å |
| 258 | T | 89.5 | Confident | 91.4 | Very high | 117 Ų | 117 | 71.1 Ų | 71.1 | 72% | 0.718 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -62.8 | -36.9 | 179.2 | -55.4 | 0 | 0 | 0 | 0 | 111.5 | C254 L255 W256 | C254-T258 PolarHBondContact O-N 3.07Å; C254-T258 VanDerWaalsContact O-N 3.14Å; C254-T258 PolarHBondContact O-OG1 2.93Å; L255-T258 PolarHBondContact O-N 2.93Å; W256-T258 VanDerWaalsContact C-N 3.31Å; W256-T258 PolarHBondContact O-N 3.27Å |
| 259 | Q | 89.6 | Confident | 91.3 | Very high | 99 Ų | 99 | 74 Ų | 74 | 46% | 0.463 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -86.6 | -35 | -177 | -67.6 | -179.9 | -8.9 | 0 | 0 | 113.8 | L255 W256 R257 | L255-Q259 PolarHBondContact O-N 3.31Å; W256-Q259 PolarHBondContact O-N 3.43Å; W256-Q259 VanDerWaalsContact O-N 3.17Å; R257-Q259 VanDerWaalsContact C-N 3.26Å; R257-Q259 PolarHBondContact O-N 3.1Å |
| 260 | Y | 92.5 | Very high | 91.4 | Very high | 28 Ų | 28 | 77 Ų | 77 | 11% | 0.11 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -124.7 | -8.1 | -163.4 | -61.5 | -72.6 | 0 | 0 | 0 | 115.4 | W256 K262 V263 A264 L307 K310 | W256-Y260 HydrophobicContact CB-CD2 4.5Å; W256-Y260 AromaticContact CD1-CD2 3.55Å; W256-Y260 HydrophobicContact CD2-CD2 4.04Å; W256-Y260 HydrophobicContact CD2-CG 4.35Å; W256-Y260 AromaticContact CE2-CD2 3.91Å; W256-Y260 AromaticContact CE2-CG 4Å; W256-Y260 AromaticContact CG-CD2 3.82Å; W256-Y260 HydrophobicContact CG-CD2 3.82Å; W256-Y260 HydrophobicContact CZ2-CG 4.32Å; W256-Y260 AromaticContact NE1-CD2 3.59Å; W256-Y260 WeakPolarHBondContact O-CB 3.37Å; W256-Y260 WeakPolarHBondContact O-CD2 3.48Å; W256-Y260 PolarHBondContact O-N 2.67Å; Y260-K262 VanDerWaalsContact C-N 3.29Å; Y260-K262 PolarHBondContact O-N 3.23Å; Y260-V263 WeakPolarHBondContact O-CB 3.43Å; Y260-V263 PolarHBondContact O-N 3.2Å; Y260-A264 WeakPolarHBondContact O-CB 3.46Å; Y260-A264 PolarHBondContact O-N 3.3Å; Y260-L307 HydrophobicContact CD1-CD2 3.68Å; Y260-L307 HydrophobicContact CD2-CD2 4.14Å; Y260-L307 HydrophobicContact CE1-CD2 3.49Å; Y260-L307 VanDerWaalsContact CE1-CD2 3.49Å; Y260-L307 HydrophobicContact CE2-CD2 3.99Å; Y260-L307 HydrophobicContact CG-CD2 4.01Å; Y260-K310 HydrophobicContact CE1-CD 3.95Å |
| 261 | A | 90.4 | Very high | 91.3 | Very high | 25 Ų | 25 | 68.1 Ų | 68.1 | 21% | 0.207 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -61.9 | -37.3 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | I249 R257 S265 | I249-A261 HydrophobicContact CD1-CB 4.26Å; I249-A261 HydrophobicContact CG1-CB 4.36Å; I249-A261 HydrophobicContact CG2-CB 4.2Å; R257-A261 WeakPolarHBondContact O-CB 3.24Å; R257-A261 PolarHBondContact O-N 3.27Å; A261-S265 PolarHBondContact O-N 3.1Å; A261-S265 VanDerWaalsContact O-N 3.15Å; A261-S265 PolarHBondContact O-OG 3.35Å |
| 262 | K | 91.5 | Very high | 91.2 | Very high | 157 Ų | 157 | 66 Ų | 66 | 68% | 0.683 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -68.1 | -45.6 | 174.7 | -172.9 | 176.9 | 178.5 | -176.9 | 0 | 111.3 | Y260 A264 S265 D266 | Y260-K262 VanDerWaalsContact C-N 3.29Å; Y260-K262 PolarHBondContact O-N 3.23Å; K262-A264 VanDerWaalsContact C-N 3.33Å; K262-A264 PolarHBondContact O-N 3.45Å; K262-S265 WeakPolarHBondContact O-CA 3.44Å; K262-S265 WeakPolarHBondContact O-CB 3.5Å; K262-S265 PolarHBondContact O-N 3.16Å; K262-D266 PolarHBondContact O-N 3.02Å |
| 263 | V | 92 | Very high | 91.1 | Very high | 34 Ų | 34 | 67.2 Ų | 67.2 | 21% | 0.206 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -55.9 | -47.9 | 176.6 | 176.6 | 0 | 0 | 0 | 0 | 111 | Y260 S265 D266 I267 V306 | Y260-V263 WeakPolarHBondContact O-CB 3.43Å; Y260-V263 PolarHBondContact O-N 3.2Å; V263-S265 VanDerWaalsContact C-N 3.28Å; V263-S265 PolarHBondContact O-N 2.91Å; V263-D266 PolarHBondContact O-N 3.15Å; V263-D266 VanDerWaalsContact O-N 3.16Å; V263-I267 HydrophobicContact CG1-CD1 3.88Å; V263-I267 HydrophobicContact CG1-CG1 4.45Å; V263-I267 WeakPolarHBondContact O-CG1 3.44Å; V263-I267 PolarHBondContact O-N 3.19Å; V263-V306 HydrophobicContact CG1-CB 4.45Å; V263-V306 HydrophobicContact CG1-CG1 3.74Å |
| 264 | A | 91.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -37.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T245 I249 W256 Y260 K262 K268 F299 | T245-A264 HydrophobicContact CG2-CB 4.18Å; I249-A264 HydrophobicContact CD1-CB 4.39Å; I249-A264 HydrophobicContact CG1-CB 4.3Å; W256-A264 HydrophobicContact CH2-CB 4.32Å; Y260-A264 WeakPolarHBondContact O-CB 3.46Å; Y260-A264 PolarHBondContact O-N 3.3Å; K262-A264 VanDerWaalsContact C-N 3.33Å; K262-A264 PolarHBondContact O-N 3.45Å; A264-K268 PolarHBondContact O-N 3.29Å; A264-K268 VanDerWaalsContact O-N 3.14Å; A264-F299 HydrophobicContact CB-CZ 4.26Å; A264-F299 WeakPolarHBondContact O-CE2 3.35Å |
| 265 | S | 92.2 | Very high | 90.5 | Very high | 48 Ų | 48 | 61.2 Ų | 61.2 | 34% | 0.336 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68 | -36.3 | 176.3 | -60.1 | 0 | 0 | 0 | 0 | 112.6 | A261 K262 V263 K268 V269 | A261-S265 PolarHBondContact O-N 3.1Å; A261-S265 VanDerWaalsContact O-N 3.15Å; A261-S265 PolarHBondContact O-OG 3.35Å; K262-S265 WeakPolarHBondContact O-CA 3.44Å; K262-S265 WeakPolarHBondContact O-CB 3.5Å; K262-S265 PolarHBondContact O-N 3.16Å; V263-S265 VanDerWaalsContact C-N 3.28Å; V263-S265 PolarHBondContact O-N 2.91Å; S265-K268 WeakPolarHBondContact O-CB 3.26Å; S265-V269 PolarHBondContact O-N 3.25Å |
| 266 | D | 92.4 | Very high | 90.1 | Very high | 92 Ų | 92 | 59.6 Ų | 59.6 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -71.9 | -43.3 | 178.1 | -66 | -23.4 | 0 | 0 | 0 | 111 | K262 V263 K268 V269 E270 | K262-D266 PolarHBondContact O-N 3.02Å; V263-D266 PolarHBondContact O-N 3.15Å; V263-D266 VanDerWaalsContact O-N 3.16Å; D266-K268 VanDerWaalsContact C-N 3.28Å; D266-K268 PolarHBondContact O-N 2.84Å; D266-V269 WeakPolarHBondContact O-CB 3.42Å; D266-V269 PolarHBondContact O-N 3.32Å; D266-E270 PolarHBondContact O-N 2.95Å |
| 267 | I | 92.6 | Very high | 89.5 | Confident | 8 Ų | 8 | 65.8 Ų | 65.8 | 4% | 0.041 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.4 | -43.6 | 173.5 | -70.2 | 168.3 | 0 | 0 | 0 | 110.6 | V263 V269 E270 C271 F299 K302 L303 V306 | V263-I267 HydrophobicContact CG1-CD1 3.88Å; V263-I267 HydrophobicContact CG1-CG1 4.45Å; V263-I267 WeakPolarHBondContact O-CG1 3.44Å; V263-I267 PolarHBondContact O-N 3.19Å; I267-V269 VanDerWaalsContact C-N 3.29Å; I267-V269 PolarHBondContact O-N 2.88Å; I267-E270 WeakPolarHBondContact O-CB 3.34Å; I267-E270 PolarHBondContact O-N 3.11Å; I267-E270 VanDerWaalsContact O-N 3.1Å; I267-C271 PolarHBondContact O-N 3.39Å; I267-C271 PolarHBondContact O-SG 2.94Å; I267-F299 HydrophobicContact CB-CE2 4.4Å; I267-F299 HydrophobicContact CG2-CD2 3.77Å; I267-F299 HydrophobicContact CG2-CE2 4.08Å; I267-K302 HydrophobicContact CG2-CB 3.68Å; I267-K302 HydrophobicContact CG2-CD 4.22Å; I267-L303 HydrophobicContact CD1-CB 4.18Å; I267-L303 HydrophobicContact CD1-CD1 3.84Å; I267-V306 HydrophobicContact CD1-CG2 4.24Å |
| 268 | K | 92.2 | Very high | 88.7 | Confident | 49 Ų | 49 | 63.6 Ų | 63.6 | 21% | 0.213 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -56.9 | -41.9 | 175.7 | -177.1 | -144.5 | 64.7 | 170.8 | 0 | 112.2 | L241 A264 S265 D266 E270 L272 F299 | L241-K268 HydrophobicContact CB-CG 3.99Å; A264-K268 PolarHBondContact O-N 3.29Å; A264-K268 VanDerWaalsContact O-N 3.14Å; S265-K268 WeakPolarHBondContact O-CB 3.26Å; D266-K268 VanDerWaalsContact C-N 3.28Å; D266-K268 PolarHBondContact O-N 2.84Å; K268-E270 VanDerWaalsContact C-N 3.34Å; K268-L272 WeakPolarHBondContact O-CB 3.37Å; K268-L272 PolarHBondContact O-N 2.95Å; K268-F299 HydrophobicContact CB-CD2 4.48Å; K268-F299 HydrophobicContact CB-CE2 4.29Å |
| 269 | V | 91 | Very high | 87.8 | Confident | 66 Ų | 66 | 58.4 Ų | 58.4 | 40% | 0.4 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -65.8 | -40.2 | 177.1 | 174.8 | 0 | 0 | 0 | 0 | 110.7 | S265 D266 I267 L272 Q273 | S265-V269 PolarHBondContact O-N 3.25Å; D266-V269 WeakPolarHBondContact O-CB 3.42Å; D266-V269 PolarHBondContact O-N 3.32Å; I267-V269 VanDerWaalsContact C-N 3.29Å; I267-V269 PolarHBondContact O-N 2.88Å; V269-L272 PolarHBondContact O-N 3.22Å; V269-Q273 WeakPolarHBondContact O-CG 3.33Å; V269-Q273 PolarHBondContact O-N 3.01Å |
| 270 | E | 91.1 | Very high | 86.8 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 43% | 0.43 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.4 | -49 | 176.5 | -168.3 | -175 | 154 | 0 | 0 | 112.2 | D266 I267 K268 L272 Q273 E274 K302 | D266-E270 PolarHBondContact O-N 2.95Å; I267-E270 WeakPolarHBondContact O-CB 3.34Å; I267-E270 PolarHBondContact O-N 3.11Å; I267-E270 VanDerWaalsContact O-N 3.1Å; K268-E270 VanDerWaalsContact C-N 3.34Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 3.27Å; E270-Q273 WeakPolarHBondContact O-CB 3.33Å; E270-Q273 PolarHBondContact O-N 3.26Å; E270-Q273 VanDerWaalsContact O-N 3.09Å; E270-E274 PolarHBondContact O-N 3.04Å; E270-K302 IonicContact OE1-NZ 3.1Å; E270-K302 PolarHBondContact OE1-NZ 3.37Å |
| 271 | C | 90.5 | Very high | 85.2 | Confident | 0 Ų | 0 | 59.4 Ų | 59.4 | 0% | 0 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.7 | -44.7 | 174.6 | -66.3 | 0 | 0 | 0 | 0 | 111 | L241 I267 Q273 E274 L275 L298 | L241-C271 HydrophobicContact CD1-CB 4.21Å; I267-C271 PolarHBondContact O-N 3.39Å; I267-C271 PolarHBondContact O-SG 2.94Å; C271-Q273 PolarHBondContact O-N 3.36Å; C271-E274 PolarHBondContact O-N 3.15Å; C271-L275 WeakPolarHBondContact O-CB 3.49Å; C271-L275 WeakPolarHBondContact O-CD1 3.38Å; C271-L275 WeakPolarHBondContact O-CG 3.32Å; C271-L275 PolarHBondContact O-N 3.48Å; C271-L298 HydrophobicContact CB-CD2 4.2Å |
| 272 | L | 89.2 | Confident | 83.3 | Confident | 36 Ų | 36 | 60.7 Ų | 60.7 | 19% | 0.188 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61.4 | -44.7 | 178 | -172.3 | 64.6 | 0 | 0 | 0 | 111.3 | D238 K268 V269 E270 E274 L275 H276 | D238-L272 HydrophobicContact CB-CD1 4.14Å; K268-L272 WeakPolarHBondContact O-CB 3.37Å; K268-L272 PolarHBondContact O-N 2.95Å; V269-L272 PolarHBondContact O-N 3.22Å; E270-L272 VanDerWaalsContact C-N 3.27Å; E270-L272 PolarHBondContact O-N 3.27Å; L272-E274 VanDerWaalsContact C-N 3.32Å; L272-E274 PolarHBondContact O-N 2.97Å; L272-L275 PolarHBondContact O-N 2.93Å; L272-H276 WeakPolarHBondContact O-CB 3.29Å; L272-H276 PolarHBondContact O-CD2 2.97Å; L272-H276 PolarHBondContact O-N 3.15Å |
| 273 | Q | 88.6 | Confident | 81 | Confident | 113 Ų | 113 | 59.4 Ų | 59.4 | 53% | 0.528 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -62.4 | -38.3 | 177.1 | -71.3 | 174.8 | 5.8 | 0 | 0 | 112.7 | V269 E270 C271 K277 | V269-Q273 WeakPolarHBondContact O-CG 3.33Å; V269-Q273 PolarHBondContact O-N 3.01Å; E270-Q273 WeakPolarHBondContact O-CB 3.33Å; E270-Q273 PolarHBondContact O-N 3.26Å; E270-Q273 VanDerWaalsContact O-N 3.09Å; C271-Q273 PolarHBondContact O-N 3.36Å; Q273-K277 WeakPolarHBondContact O-CG 3.48Å; Q273-K277 PolarHBondContact O-N 2.95Å |
| 274 | E | 85.9 | Confident | 78.9 | Confident | 76 Ų | 76 | 61 Ų | 61 | 36% | 0.355 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -68 | -46.7 | 177.1 | -170.1 | 162.7 | -173.4 | 0 | 0 | 111.4 | E270 C271 L272 H276 K277 T278 L298 K302 | E270-E274 PolarHBondContact O-N 3.04Å; C271-E274 PolarHBondContact O-N 3.15Å; L272-E274 VanDerWaalsContact C-N 3.32Å; L272-E274 PolarHBondContact O-N 2.97Å; E274-H276 VanDerWaalsContact C-N 3.33Å; E274-H276 PolarHBondContact O-N 2.89Å; E274-K277 WeakPolarHBondContact O-CB 3.49Å; E274-K277 PolarHBondContact O-N 3.39Å; E274-T278 PolarHBondContact O-N 2.95Å; E274-T278 PolarHBondContact O-OG1 3.3Å; E274-T278 VanDerWaalsContact O-OG1 3.06Å; E274-L298 HydrophobicContact CB-CD2 4.42Å; E274-L298 HydrophobicContact CG-CD2 4.39Å; E274-K302 WeakPolarHBondContact OE2-CE 3.2Å; E274-K302 IonicContact OE2-NZ 3.59Å; E274-K302 PolarHBondContact OE2-NZ 3.05Å; E274-K302 VanDerWaalsContact OE2-NZ 3.1Å |
| 275 | L | 84.8 | Confident | 77.1 | Confident | 1 Ų | 1 | 68.8 Ų | 68.8 | 1% | 0.005 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -60.2 | -41.9 | 175.3 | -69.3 | 162.8 | 0 | 0 | 0 | 111.8 | V237 L241 C271 L272 K277 T278 I279 W291 F294 A295 | V237-L275 HydrophobicContact CG1-CD1 3.72Å; L241-L275 HydrophobicContact CD1-CD1 3.93Å; C271-L275 WeakPolarHBondContact O-CB 3.49Å; C271-L275 WeakPolarHBondContact O-CD1 3.38Å; C271-L275 WeakPolarHBondContact O-CG 3.32Å; C271-L275 PolarHBondContact O-N 3.48Å; L272-L275 PolarHBondContact O-N 2.93Å; L275-K277 VanDerWaalsContact C-N 3.28Å; L275-K277 PolarHBondContact O-N 3.3Å; L275-T278 PolarHBondContact O-N 2.87Å; L275-I279 HydrophobicContact CB-CD1 4.35Å; L275-I279 WeakPolarHBondContact O-CB 3.47Å; L275-I279 WeakPolarHBondContact O-CG1 3.42Å; L275-I279 PolarHBondContact O-N 2.79Å; L275-W291 HydrophobicContact CD2-CE3 3.85Å; L275-W291 HydrophobicContact CD2-CZ3 3.79Å; L275-F294 HydrophobicContact CD2-CD1 3.51Å; L275-F294 HydrophobicContact CD2-CE1 3.66Å; L275-A295 HydrophobicContact CD1-CB 3.52Å; L275-A295 HydrophobicContact CD2-CB 4.48Å |
| 276 | H | 82.2 | Confident | 75.7 | Confident | 78 Ų | 78 | 72.3 Ų | 72.3 | 36% | 0.361 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56.4 | -42.4 | 173.5 | -94.9 | -99.7 | 0 | 0 | 0 | 112 | L272 E274 S280 | L272-H276 WeakPolarHBondContact O-CB 3.29Å; L272-H276 PolarHBondContact O-CD2 2.97Å; L272-H276 PolarHBondContact O-N 3.15Å; E274-H276 VanDerWaalsContact C-N 3.33Å; E274-H276 PolarHBondContact O-N 2.89Å; H276-S280 WeakPolarHBondContact O-CB 3.49Å; H276-S280 PolarHBondContact O-N 3.16Å; H276-S280 VanDerWaalsContact O-N 3.07Å; H276-S280 PolarHBondContact O-OG 3.17Å |
| 277 | K | 79.3 | Confident | 74.6 | Confident | 156 Ų | 156 | 71.4 Ų | 71.4 | 68% | 0.678 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -66.8 | -46.1 | 177.1 | -69.2 | 171 | -173.8 | 171.8 | 0 | 111.4 | Q273 E274 L275 S280 G281 | Q273-K277 WeakPolarHBondContact O-CG 3.48Å; Q273-K277 PolarHBondContact O-N 2.95Å; E274-K277 WeakPolarHBondContact O-CB 3.49Å; E274-K277 PolarHBondContact O-N 3.39Å; L275-K277 VanDerWaalsContact C-N 3.28Å; L275-K277 PolarHBondContact O-N 3.3Å; K277-S280 PolarHBondContact O-N 2.96Å; K277-G281 PolarHBondContact O-N 3.49Å |
| 278 | T | 74 | Confident | 73.7 | Confident | 61 Ų | 61 | 74.7 Ų | 74.7 | 37% | 0.374 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | -177.8 | -51.9 | 0 | 0 | 0 | 0 | 111.9 | E274 L275 G281 W291 | E274-T278 PolarHBondContact O-N 2.95Å; E274-T278 PolarHBondContact O-OG1 3.3Å; E274-T278 VanDerWaalsContact O-OG1 3.06Å; L275-T278 PolarHBondContact O-N 2.87Å; T278-G281 PolarHBondContact O-N 3.19Å; T278-G281 VanDerWaalsContact O-N 3.16Å; T278-W291 HydrophobicContact CG2-CH2 3.93Å; T278-W291 HydrophobicContact CG2-CZ3 4.38Å |
| 279 | I | 70.2 | Confident | 72.9 | Confident | 7 Ų | 7 | 79.5 Ų | 79.5 | 4% | 0.036 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -65 | -40.3 | 178.3 | -71.5 | 168.3 | 0 | 0 | 0 | 110.8 | L230 L233 L234 L275 G281 W291 | L230-I279 HydrophobicContact CD1-CG2 3.2Å; L230-I279 HydrophobicContact CG-CG2 4.22Å; L233-I279 HydrophobicContact CD2-CD1 4.27Å; L233-I279 HydrophobicContact CD2-CG2 4.27Å; L234-I279 HydrophobicContact CD2-CD1 3.65Å; L234-I279 HydrophobicContact CD2-CG2 4.41Å; L275-I279 HydrophobicContact CB-CD1 4.35Å; L275-I279 WeakPolarHBondContact O-CB 3.47Å; L275-I279 WeakPolarHBondContact O-CG1 3.42Å; L275-I279 PolarHBondContact O-N 2.79Å; I279-G281 VanDerWaalsContact C-N 3.25Å; I279-G281 PolarHBondContact O-N 3.36Å; I279-W291 HydrophobicContact CD1-CD2 4.12Å; I279-W291 HydrophobicContact CD1-CE3 4.02Å; I279-W291 HydrophobicContact CD1-CH2 4.34Å; I279-W291 HydrophobicContact CD1-CZ2 4.42Å; I279-W291 HydrophobicContact CD1-CZ3 4.14Å; I279-W291 HydrophobicContact CG1-CD2 4.08Å; I279-W291 HydrophobicContact CG1-CE3 3.99Å; I279-W291 HydrophobicContact CG1-CH2 3.41Å; I279-W291 VanDerWaalsContact CG1-CH2 3.41Å; I279-W291 HydrophobicContact CG1-CZ2 3.5Å; I279-W291 VanDerWaalsContact CG1-CZ2 3.5Å; I279-W291 HydrophobicContact CG1-CZ3 3.67Å |
| 280 | S | 67.9 | Low | 72.2 | Confident | 85 Ų | 85 | 79.5 Ų | 79.5 | 59% | 0.594 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -71.6 | -19.3 | 175.9 | -55.4 | 0 | 0 | 0 | 0 | 113.2 | H276 K277 G282 | H276-S280 WeakPolarHBondContact O-CB 3.49Å; H276-S280 PolarHBondContact O-N 3.16Å; H276-S280 VanDerWaalsContact O-N 3.07Å; H276-S280 PolarHBondContact O-OG 3.17Å; K277-S280 PolarHBondContact O-N 2.96Å; S280-G282 PolarHBondContact O-N 3.39Å |
| 281 | G | 59.6 | Low | 71.8 | Confident | 63 Ų | 63 | 75.3 Ų | 75.3 | 65% | 0.649 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K277 T278 I279 | K277-G281 PolarHBondContact O-N 3.49Å; T278-G281 PolarHBondContact O-N 3.19Å; T278-G281 VanDerWaalsContact O-N 3.16Å; I279-G281 VanDerWaalsContact C-N 3.25Å; I279-G281 PolarHBondContact O-N 3.36Å |
| 282 | G | 51.7 | Low | 71.6 | Confident | 52 Ų | 52 | 77.6 Ų | 77.6 | 54% | 0.536 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96 | 1.3 | 166.9 | 0 | 0 | 0 | 0 | 0 | 117 | S280 C284 | S280-G282 PolarHBondContact O-N 3.39Å; G282-C284 PolarHBondContact O-N 3.22Å |
| 283 | N | 41.7 | Very low | 71.3 | Confident | 130 Ų | 130 | 81 Ų | 81 | 70% | 0.695 | 44% | 0.439 | S | S | * | . | trans | -97.2 | 79.6 | 176 | -83.9 | -16.4 | 0 | 0 | 0 | 111.5 | ||||
| 284 | C | 48.2 | Very low | 71.2 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 47% | 0.466 | 43% | 0.427 | S | S | . | . | trans | -119.8 | 67.4 | 178.1 | -152.4 | 0 | 0 | 0 | 0 | 112 | G282 | G282-C284 PolarHBondContact O-N 3.22Š| ||
| 285 | I | 53.3 | Low | 71.4 | Confident | 163 Ų | 163 | 75 Ų | 75 | 84% | 0.836 | 41% | 0.41 | S | S | * | . | trans | -93.7 | -11.6 | 166.6 | -58 | 172.9 | 0 | 0 | 0 | 110.6 | ||||
| 286 | W | 62.4 | Low | 71.7 | Confident | 121 Ų | 121 | 78 Ų | 78 | 46% | 0.458 | 42% | 0.424 | S | S | . | . | trans | -82.1 | 139.9 | -173.1 | -74 | 12 | 0 | 0 | 0 | 112.8 | N290 W291 F294 | W286-N290 HydrophobicContact CB-CB 3.83Å; W286-N290 HydrophobicContact CD2-CB 4.2Å; W286-N290 HydrophobicContact CE3-CB 4.28Å; W286-N290 HydrophobicContact CG-CB 4.04Å; W286-W291 HydrophobicContact CB-CG 4.38Å; W286-W291 HydrophobicContact CE3-CD2 4.04Å; W286-W291 HydrophobicContact CE3-CE3 4.13Å; W286-W291 HydrophobicContact CE3-CH2 4.45Å; W286-W291 HydrophobicContact CE3-CZ2 4.38Å; W286-W291 HydrophobicContact CE3-CZ3 4.34Å; W286-W291 HydrophobicContact CZ3-CE3 4.46Å; W286-W291 HydrophobicContact CZ3-CZ3 4.46Å; W286-F294 HydrophobicContact CE3-CB 4.33Å; W286-F294 HydrophobicContact CH2-CB 4.32Å; W286-F294 AromaticContact CH2-CD2 3.97Å; W286-F294 HydrophobicContact CH2-CD2 3.97Å; W286-F294 HydrophobicContact CH2-CE2 4.49Å; W286-F294 HydrophobicContact CH2-CG 4.09Å; W286-F294 HydrophobicContact CZ3-CB 3.53Å; W286-F294 AromaticContact CZ3-CD1 3.95Å; W286-F294 HydrophobicContact CZ3-CD1 3.95Å; W286-F294 AromaticContact CZ3-CD2 3.89Å; W286-F294 HydrophobicContact CZ3-CD2 3.89Å; W286-F294 AromaticContact CZ3-CG 3.52Å; W286-F294 HydrophobicContact CZ3-CG 3.52Å | ||
| 287 | T | 70.5 | Confident | 72 | Confident | 74 Ų | 74 | 79.2 Ų | 79.2 | 45% | 0.454 | 43% | 0.43 | S | S | . | . | trans | -70.7 | 167.5 | 172.2 | 69.3 | 0 | 0 | 0 | 0 | 110.9 | E289 N290 W291 | T287-E289 PolarHBondContact O-N 3.07Å; T287-E289 PolarHBondContact OG1-N 3.43Å; T287-N290 WeakPolarHBondContact CB-OD1 3.4Å; T287-N290 PolarHBondContact N-OD1 3.14Å; T287-N290 VanDerWaalsContact N-OD1 3.1Å; T287-N290 PolarHBondContact O-N 2.95Å; T287-N290 VanDerWaalsContact OG1-CG 3.3Å; T287-N290 PolarHBondContact OG1-N 3.4Å; T287-N290 PolarHBondContact OG1-OD1 3.47Å; T287-W291 VanDerWaalsContact O-CD1 3.31Å; T287-W291 PolarHBondContact O-N 2.97Å; T287-W291 VanDerWaalsContact O-N 3.1Å | ||
| 288 | I | 74.1 | Confident | 72.5 | Confident | 77 Ų | 77 | 72.5 Ų | 72.5 | 40% | 0.395 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -55.1 | -40.9 | 173.3 | -64.1 | 171.7 | 0 | 0 | 0 | 110.5 | L233 N236 W291 Q292 | L233-I288 HydrophobicContact CD1-CB 4.38Å; L233-I288 HydrophobicContact CD1-CG1 3.83Å; N236-I288 HydrophobicContact CB-CG2 4.01Å; I288-W291 PolarHBondContact O-N 2.86Å; I288-Q292 HydrophobicContact CG2-CG 4.32Å; I288-Q292 VanDerWaalsContact O-CG 3.3Å; I288-Q292 WeakPolarHBondContact O-CG 3.49Å; I288-Q292 PolarHBondContact O-N 2.91Å |
| 289 | E | 74.6 | Confident | 73.5 | Confident | 150 Ų | 150 | 69.6 Ų | 69.6 | 70% | 0.701 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -64.2 | -42.5 | 179.6 | -66.8 | 175.6 | -179.2 | 0 | 0 | 111.8 | T287 W291 Q292 Q293 | T287-E289 PolarHBondContact O-N 3.07Å; T287-E289 PolarHBondContact OG1-N 3.43Å; E289-W291 VanDerWaalsContact C-N 3.32Å; E289-W291 PolarHBondContact O-N 3.03Å; E289-Q292 PolarHBondContact O-N 2.89Å; E289-Q293 PolarHBondContact O-N 2.9Å |
| 290 | N | 75.5 | Confident | 74.6 | Confident | 66 Ų | 66 | 73 Ų | 73 | 35% | 0.353 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -62.4 | -40.9 | 176.4 | -62.2 | 122.5 | 0 | 0 | 0 | 111.8 | W286 T287 Q293 F294 | W286-N290 HydrophobicContact CB-CB 3.83Å; W286-N290 HydrophobicContact CD2-CB 4.2Å; W286-N290 HydrophobicContact CE3-CB 4.28Å; W286-N290 HydrophobicContact CG-CB 4.04Å; T287-N290 WeakPolarHBondContact CB-OD1 3.4Å; T287-N290 PolarHBondContact N-OD1 3.14Å; T287-N290 VanDerWaalsContact N-OD1 3.1Å; T287-N290 PolarHBondContact O-N 2.95Å; T287-N290 VanDerWaalsContact OG1-CG 3.3Å; T287-N290 PolarHBondContact OG1-N 3.4Å; T287-N290 PolarHBondContact OG1-OD1 3.47Å; N290-Q293 PolarHBondContact O-N 3.15Å; N290-F294 WeakPolarHBondContact O-CB 3.42Å; N290-F294 PolarHBondContact O-N 3.05Å |
| 291 | W | 83.7 | Confident | 75.7 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.015 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -68.1 | -37.5 | 176.6 | -81.3 | 111.8 | 0 | 0 | 0 | 113 | L233 V237 L275 T278 I279 W286 T287 I288 E289 F294 A295 | L233-W291 HydrophobicContact CD1-CB 4.27Å; L233-W291 HydrophobicContact CD1-CG 4.15Å; L233-W291 HydrophobicContact CD2-CG 4.47Å; V237-W291 HydrophobicContact CG2-CB 3.81Å; L275-W291 HydrophobicContact CD2-CE3 3.85Å; L275-W291 HydrophobicContact CD2-CZ3 3.79Å; T278-W291 HydrophobicContact CG2-CH2 3.93Å; T278-W291 HydrophobicContact CG2-CZ3 4.38Å; I279-W291 HydrophobicContact CD1-CD2 4.12Å; I279-W291 HydrophobicContact CD1-CE3 4.02Å; I279-W291 HydrophobicContact CD1-CH2 4.34Å; I279-W291 HydrophobicContact CD1-CZ2 4.42Å; I279-W291 HydrophobicContact CD1-CZ3 4.14Å; I279-W291 HydrophobicContact CG1-CD2 4.08Å; I279-W291 HydrophobicContact CG1-CE3 3.99Å; I279-W291 HydrophobicContact CG1-CH2 3.41Å; I279-W291 VanDerWaalsContact CG1-CH2 3.41Å; I279-W291 HydrophobicContact CG1-CZ2 3.5Å; I279-W291 VanDerWaalsContact CG1-CZ2 3.5Å; I279-W291 HydrophobicContact CG1-CZ3 3.67Å; W286-W291 HydrophobicContact CB-CG 4.38Å; W286-W291 HydrophobicContact CE3-CD2 4.04Å; W286-W291 HydrophobicContact CE3-CE3 4.13Å; W286-W291 HydrophobicContact CE3-CH2 4.45Å; W286-W291 HydrophobicContact CE3-CZ2 4.38Å; W286-W291 HydrophobicContact CE3-CZ3 4.34Å; W286-W291 HydrophobicContact CZ3-CE3 4.46Å; W286-W291 HydrophobicContact CZ3-CZ3 4.46Å; T287-W291 VanDerWaalsContact O-CD1 3.31Å; T287-W291 PolarHBondContact O-N 2.97Å; T287-W291 VanDerWaalsContact O-N 3.1Å; I288-W291 PolarHBondContact O-N 2.86Å; E289-W291 VanDerWaalsContact C-N 3.32Å; E289-W291 PolarHBondContact O-N 3.03Å; W291-F294 HydrophobicContact CE3-CD1 4.07Å; W291-F294 AromaticContact CZ3-CD1 3.92Å; W291-F294 HydrophobicContact CZ3-CD1 3.92Å; W291-F294 HydrophobicContact CZ3-CE1 4.24Å; W291-A295 VanDerWaalsContact O-CB 3.24Å; W291-A295 WeakPolarHBondContact O-CB 3.49Å; W291-A295 PolarHBondContact O-N 2.87Å |
| 292 | Q | 85.1 | Confident | 77.2 | Confident | 47 Ų | 47 | 73 Ų | 73 | 22% | 0.22 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -62.8 | -47.3 | 174.8 | -75.7 | 178.1 | -12.5 | 0 | 0 | 111 | H240 I288 E289 A295 E296 | H240-Q292 HydrophobicContact CB-CB 4.35Å; H240-Q292 HydrophobicContact CB-CG 3.71Å; I288-Q292 HydrophobicContact CG2-CG 4.32Å; I288-Q292 VanDerWaalsContact O-CG 3.3Å; I288-Q292 WeakPolarHBondContact O-CG 3.49Å; I288-Q292 PolarHBondContact O-N 2.91Å; E289-Q292 PolarHBondContact O-N 2.89Å; Q292-A295 PolarHBondContact O-N 3.32Å; Q292-E296 WeakPolarHBondContact O-CB 3.25Å; Q292-E296 PolarHBondContact O-N 3.05Å |
| 293 | Q | 84.5 | Confident | 79.1 | Confident | 108 Ų | 108 | 70.8 Ų | 70.8 | 51% | 0.505 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -47.6 | 177 | -176.1 | -179.1 | -10.9 | 0 | 0 | 111.7 | E289 N290 A295 E296 E297 | E289-Q293 PolarHBondContact O-N 2.9Å; N290-Q293 PolarHBondContact O-N 3.15Å; Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 PolarHBondContact O-N 2.88Å; Q293-E296 WeakPolarHBondContact O-CB 3.05Å; Q293-E296 PolarHBondContact O-N 3Å; Q293-E296 VanDerWaalsContact O-N 3.16Å; Q293-E297 WeakPolarHBondContact CG-OE1 3.21Å; Q293-E297 PolarHBondContact NE2-OE1 3.42Å; Q293-E297 WeakPolarHBondContact O-CG 3.26Å; Q293-E297 PolarHBondContact O-N 3.47Å |
| 294 | F | 86.2 | Confident | 81.4 | Confident | 63 Ų | 63 | 68.6 Ų | 68.6 | 28% | 0.276 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.1 | -39.2 | 177.8 | 178.7 | -110.3 | 0 | 0 | 0 | 112.6 | L275 W286 N290 W291 E296 E297 L298 | L275-F294 HydrophobicContact CD2-CD1 3.51Å; L275-F294 HydrophobicContact CD2-CE1 3.66Å; W286-F294 HydrophobicContact CE3-CB 4.33Å; W286-F294 HydrophobicContact CH2-CB 4.32Å; W286-F294 AromaticContact CH2-CD2 3.97Å; W286-F294 HydrophobicContact CH2-CD2 3.97Å; W286-F294 HydrophobicContact CH2-CE2 4.49Å; W286-F294 HydrophobicContact CH2-CG 4.09Å; W286-F294 HydrophobicContact CZ3-CB 3.53Å; W286-F294 AromaticContact CZ3-CD1 3.95Å; W286-F294 HydrophobicContact CZ3-CD1 3.95Å; W286-F294 AromaticContact CZ3-CD2 3.89Å; W286-F294 HydrophobicContact CZ3-CD2 3.89Å; W286-F294 AromaticContact CZ3-CG 3.52Å; W286-F294 HydrophobicContact CZ3-CG 3.52Å; N290-F294 WeakPolarHBondContact O-CB 3.42Å; N290-F294 PolarHBondContact O-N 3.05Å; W291-F294 HydrophobicContact CE3-CD1 4.07Å; W291-F294 AromaticContact CZ3-CD1 3.92Å; W291-F294 HydrophobicContact CZ3-CD1 3.92Å; W291-F294 HydrophobicContact CZ3-CE1 4.24Å; F294-E296 VanDerWaalsContact C-N 3.33Å; F294-E297 PolarHBondContact O-N 3.26Å; F294-L298 VanDerWaalsContact O-CB 3.32Å; F294-L298 WeakPolarHBondContact O-CB 3.35Å; F294-L298 PolarHBondContact O-N 3.19Å |
| 295 | A | 88.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 69.9 Ų | 69.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V237 L241 L275 W291 Q292 Q293 F299 | V237-A295 HydrophobicContact CG1-CB 3.86Å; L241-A295 HydrophobicContact CD1-CB 4.24Å; L241-A295 HydrophobicContact CD2-CB 4.01Å; L241-A295 WeakPolarHBondContact CD2-O 3.34Å; L241-A295 HydrophobicContact CG-CB 3.96Å; L275-A295 HydrophobicContact CD1-CB 3.52Å; L275-A295 HydrophobicContact CD2-CB 4.48Å; W291-A295 VanDerWaalsContact O-CB 3.24Å; W291-A295 WeakPolarHBondContact O-CB 3.49Å; W291-A295 PolarHBondContact O-N 2.87Å; Q292-A295 PolarHBondContact O-N 3.32Å; Q293-A295 VanDerWaalsContact C-N 3.31Å; Q293-A295 PolarHBondContact O-N 2.88Å; A295-F299 WeakPolarHBondContact O-CB 3.44Å; A295-F299 PolarHBondContact O-N 3.34Å |
| 296 | E | 91.2 | Very high | 85 | Confident | 65 Ų | 65 | 64.3 Ų | 64.3 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.8 | -46 | 175.8 | -178.7 | 166.8 | -160.2 | 0 | 0 | 111.9 | H240 V244 Q292 Q293 F294 F299 Y300 | H240-E296 IonicContact NE2-OE2 3.82Å; V244-E296 HydrophobicContact CG1-CG 4.17Å; V244-E296 HydrophobicContact CG2-CB 4.39Å; V244-E296 HydrophobicContact CG2-CG 4.1Å; Q292-E296 WeakPolarHBondContact O-CB 3.25Å; Q292-E296 PolarHBondContact O-N 3.05Å; Q293-E296 WeakPolarHBondContact O-CB 3.05Å; Q293-E296 PolarHBondContact O-N 3Å; Q293-E296 VanDerWaalsContact O-N 3.16Å; F294-E296 VanDerWaalsContact C-N 3.33Å; E296-F299 PolarHBondContact O-N 2.83Å; E296-Y300 HydrophobicContact CG-CD2 3.76Å; E296-Y300 HydrophobicContact CG-CE2 3.4Å; E296-Y300 WeakPolarHBondContact O-CD2 3.37Å; E296-Y300 PolarHBondContact O-N 3.32Å; E296-Y300 WeakPolarHBondContact OE1-CE2 3.4Å |
| 297 | E | 89.7 | Confident | 86.1 | Confident | 103 Ų | 103 | 60 Ų | 60 | 48% | 0.481 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 175.3 | -73 | 171 | -173 | 0 | 0 | 111.3 | Q293 F294 F299 Y300 E301 | Q293-E297 WeakPolarHBondContact CG-OE1 3.21Å; Q293-E297 PolarHBondContact NE2-OE1 3.42Å; Q293-E297 WeakPolarHBondContact O-CG 3.26Å; Q293-E297 PolarHBondContact O-N 3.47Å; F294-E297 PolarHBondContact O-N 3.26Å; E297-F299 VanDerWaalsContact C-N 3.3Å; E297-F299 PolarHBondContact O-N 3.39Å; E297-Y300 PolarHBondContact O-N 3.5Å; E297-E301 WeakPolarHBondContact O-CB 3.29Å; E297-E301 PolarHBondContact O-N 2.91Å |
| 298 | L | 90.3 | Very high | 86.8 | Confident | 15 Ų | 15 | 61.5 Ų | 61.5 | 8% | 0.079 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -61.4 | -37.7 | 178 | -175.6 | 65.5 | 0 | 0 | 0 | 112.5 | C271 E274 F294 K302 | C271-L298 HydrophobicContact CB-CD2 4.2Å; E274-L298 HydrophobicContact CB-CD2 4.42Å; E274-L298 HydrophobicContact CG-CD2 4.39Å; F294-L298 VanDerWaalsContact O-CB 3.32Å; F294-L298 WeakPolarHBondContact O-CB 3.35Å; F294-L298 PolarHBondContact O-N 3.19Å; L298-K302 WeakPolarHBondContact O-CG 3.41Å; L298-K302 PolarHBondContact O-N 2.95Å; L298-K302 VanDerWaalsContact O-N 3.15Å |
| 299 | F | 93.8 | Very high | 86.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 177.3 | 173.7 | -95.3 | 0 | 0 | 0 | 111.6 | L241 V244 T245 A264 I267 K268 A295 E296 E297 L303 | L241-F299 HydrophobicContact CD2-CB 4.02Å; V244-F299 HydrophobicContact CG1-CD1 3.73Å; V244-F299 HydrophobicContact CG1-CE1 4.02Å; V244-F299 HydrophobicContact CG1-CG 4.48Å; T245-F299 HydrophobicContact CG2-CE2 4.2Å; T245-F299 HydrophobicContact CG2-CZ 4.1Å; T245-F299 WeakPolarHBondContact OG1-CE2 3.42Å; A264-F299 HydrophobicContact CB-CZ 4.26Å; A264-F299 WeakPolarHBondContact O-CE2 3.35Å; I267-F299 HydrophobicContact CB-CE2 4.4Å; I267-F299 HydrophobicContact CG2-CD2 3.77Å; I267-F299 HydrophobicContact CG2-CE2 4.08Å; K268-F299 HydrophobicContact CB-CD2 4.48Å; K268-F299 HydrophobicContact CB-CE2 4.29Å; A295-F299 WeakPolarHBondContact O-CB 3.44Å; A295-F299 PolarHBondContact O-N 3.34Å; E296-F299 PolarHBondContact O-N 2.83Å; E297-F299 VanDerWaalsContact C-N 3.3Å; E297-F299 PolarHBondContact O-N 3.39Å; F299-L303 HydrophobicContact CE1-CD2 4.17Å; F299-L303 HydrophobicContact CZ-CD2 4.45Å; F299-L303 VanDerWaalsContact O-CB 3.29Å; F299-L303 WeakPolarHBondContact O-CB 3.31Å; F299-L303 PolarHBondContact O-N 3.21Å |
| 300 | Y | 93.3 | Very high | 86.4 | Confident | 77 Ų | 77 | 61.1 Ų | 61.1 | 30% | 0.302 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -70 | -38.9 | 179 | -72.7 | -57.9 | 0 | 0 | 0 | 112.6 | V244 T248 E296 E297 K302 L303 D304 | V244-Y300 HydrophobicContact CG1-CE2 4.14Å; T248-Y300 HydrophobicContact CG2-CE1 4.49Å; E296-Y300 HydrophobicContact CG-CD2 3.76Å; E296-Y300 HydrophobicContact CG-CE2 3.4Å; E296-Y300 WeakPolarHBondContact O-CD2 3.37Å; E296-Y300 PolarHBondContact O-N 3.32Å; E296-Y300 WeakPolarHBondContact OE1-CE2 3.4Å; E297-Y300 PolarHBondContact O-N 3.5Å; Y300-K302 PolarHBondContact O-N 3.26Å; Y300-L303 PolarHBondContact O-N 2.9Å; Y300-D304 WeakPolarHBondContact O-CB 3.47Å; Y300-D304 PolarHBondContact O-N 3.45Å |
| 301 | E | 90.8 | Very high | 85.6 | Confident | 115 Ų | 115 | 63 Ų | 63 | 54% | 0.537 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.5 | -52.5 | 175.1 | -177.3 | 179 | -168.5 | 0 | 0 | 111.1 | E297 L303 D304 E305 | E297-E301 WeakPolarHBondContact O-CB 3.29Å; E297-E301 PolarHBondContact O-N 2.91Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 3.4Å; E301-D304 PolarHBondContact O-N 3.11Å; E301-E305 WeakPolarHBondContact O-CG 3.45Å; E301-E305 PolarHBondContact O-N 3.08Å |
| 302 | K | 91.9 | Very high | 84.2 | Confident | 34 Ų | 34 | 68.2 Ų | 68.2 | 15% | 0.148 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.6 | -36.6 | 177.1 | -73.4 | -176.2 | -171.6 | -81.4 | 0 | 112.5 | I267 E270 E274 L298 Y300 V306 | I267-K302 HydrophobicContact CG2-CB 3.68Å; I267-K302 HydrophobicContact CG2-CD 4.22Å; E270-K302 IonicContact OE1-NZ 3.1Å; E270-K302 PolarHBondContact OE1-NZ 3.37Å; E274-K302 WeakPolarHBondContact OE2-CE 3.2Å; E274-K302 IonicContact OE2-NZ 3.59Å; E274-K302 PolarHBondContact OE2-NZ 3.05Å; E274-K302 VanDerWaalsContact OE2-NZ 3.1Å; L298-K302 WeakPolarHBondContact O-CG 3.41Å; L298-K302 PolarHBondContact O-N 2.95Å; L298-K302 VanDerWaalsContact O-N 3.15Å; Y300-K302 PolarHBondContact O-N 3.26Å; K302-V306 WeakPolarHBondContact O-CG2 3.39Å; K302-V306 PolarHBondContact O-N 3.38Å |
| 303 | L | 91.4 | Very high | 82.7 | Confident | 5 Ų | 5 | 72.7 Ų | 72.7 | 3% | 0.026 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -66 | -45.8 | 178 | -175.1 | 64.1 | 0 | 0 | 0 | 111.3 | T248 W256 I267 F299 Y300 E301 V306 L307 | T248-L303 HydrophobicContact CG2-CD2 3.8Å; W256-L303 HydrophobicContact CZ2-CD1 4.35Å; W256-L303 HydrophobicContact CZ2-CD2 4.42Å; I267-L303 HydrophobicContact CD1-CB 4.18Å; I267-L303 HydrophobicContact CD1-CD1 3.84Å; F299-L303 HydrophobicContact CE1-CD2 4.17Å; F299-L303 HydrophobicContact CZ-CD2 4.45Å; F299-L303 VanDerWaalsContact O-CB 3.29Å; F299-L303 WeakPolarHBondContact O-CB 3.31Å; F299-L303 PolarHBondContact O-N 3.21Å; Y300-L303 PolarHBondContact O-N 2.9Å; E301-L303 VanDerWaalsContact C-N 3.31Å; E301-L303 PolarHBondContact O-N 3.4Å; L303-V306 PolarHBondContact O-N 3.37Å; L303-L307 HydrophobicContact CG-CD1 4.11Å; L303-L307 VanDerWaalsContact O-CG 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.44Å; L303-L307 PolarHBondContact O-N 2.76Å |
| 304 | D | 90.1 | Very high | 80.8 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -66 | -37.6 | 178.4 | -77.6 | -10.4 | 0 | 0 | 0 | 111.5 | Y300 E301 V306 L307 N308 | Y300-D304 WeakPolarHBondContact O-CB 3.47Å; Y300-D304 PolarHBondContact O-N 3.45Å; E301-D304 PolarHBondContact O-N 3.11Å; D304-V306 VanDerWaalsContact C-N 3.34Å; D304-V306 PolarHBondContact O-N 3.43Å; D304-L307 PolarHBondContact O-N 3.19Å; D304-N308 VanDerWaalsContact O-CB 3.3Å; D304-N308 WeakPolarHBondContact O-CB 3.13Å; D304-N308 VanDerWaalsContact O-CG 3.24Å; D304-N308 PolarHBondContact O-N 2.99Å; D304-N308 PolarHBondContact O-ND2 2.82Å; D304-N308 VanDerWaalsContact O-ND2 3.17Å |
| 305 | E | 88.9 | Confident | 80.5 | Confident | 95 Ų | 95 | 78 Ų | 78 | 44% | 0.444 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -57.3 | -45.2 | 171.9 | -79.5 | -167.7 | -175.5 | 0 | 0 | 112.6 | E301 K309 | E301-E305 WeakPolarHBondContact O-CG 3.45Å; E301-E305 PolarHBondContact O-N 3.08Å; E305-K309 WeakPolarHBondContact O-CB 3.16Å; E305-K309 VanDerWaalsContact O-CG 3.31Å; E305-K309 WeakPolarHBondContact O-CG 3.47Å; E305-K309 PolarHBondContact O-N 3.42Å; E305-K309 IonicContact OE2-NZ 2.81Å |
| 306 | V | 88.4 | Confident | 80.1 | Confident | 47 Ų | 47 | 82.1 Ų | 82.1 | 29% | 0.285 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.6 | -37 | -179.7 | 175 | 0 | 0 | 0 | 0 | 111.4 | V263 I267 K302 L303 D304 K310 | V263-V306 HydrophobicContact CG1-CB 4.45Å; V263-V306 HydrophobicContact CG1-CG1 3.74Å; I267-V306 HydrophobicContact CD1-CG2 4.24Å; K302-V306 WeakPolarHBondContact O-CG2 3.39Å; K302-V306 PolarHBondContact O-N 3.38Å; L303-V306 PolarHBondContact O-N 3.37Å; D304-V306 VanDerWaalsContact C-N 3.34Å; D304-V306 PolarHBondContact O-N 3.43Å; V306-K310 PolarHBondContact O-N 2.92Å |
| 307 | L | 86.3 | Confident | 79.5 | Confident | 31 Ų | 31 | 83.1 Ų | 83.1 | 16% | 0.162 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -68.7 | -43.4 | 177.1 | -68.1 | 173.6 | 0 | 0 | 0 | 111.5 | Y260 L303 D304 K310 V311 | Y260-L307 HydrophobicContact CD1-CD2 3.68Å; Y260-L307 HydrophobicContact CD2-CD2 4.14Å; Y260-L307 HydrophobicContact CE1-CD2 3.49Å; Y260-L307 VanDerWaalsContact CE1-CD2 3.49Å; Y260-L307 HydrophobicContact CE2-CD2 3.99Å; Y260-L307 HydrophobicContact CG-CD2 4.01Å; L303-L307 HydrophobicContact CG-CD1 4.11Å; L303-L307 VanDerWaalsContact O-CG 3.29Å; L303-L307 WeakPolarHBondContact O-CG 3.44Å; L303-L307 PolarHBondContact O-N 2.76Å; D304-L307 PolarHBondContact O-N 3.19Å; L307-K310 PolarHBondContact O-N 3.2Å; L307-V311 WeakPolarHBondContact O-CG2 3.3Å; L307-V311 PolarHBondContact O-N 3.48Å |
| 308 | N | 83.5 | Confident | 78.9 | Confident | 105 Ų | 105 | 81.9 Ų | 81.9 | 56% | 0.561 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -70.4 | -34.5 | -179.5 | -71.5 | -30.1 | 0 | 0 | 0 | 113 | D304 K310 V311 T312 | D304-N308 VanDerWaalsContact O-CB 3.3Å; D304-N308 WeakPolarHBondContact O-CB 3.13Å; D304-N308 VanDerWaalsContact O-CG 3.24Å; D304-N308 PolarHBondContact O-N 2.99Å; D304-N308 PolarHBondContact O-ND2 2.82Å; D304-N308 VanDerWaalsContact O-ND2 3.17Å; N308-K310 VanDerWaalsContact C-N 3.28Å; N308-K310 PolarHBondContact O-N 3.38Å; N308-V311 PolarHBondContact O-N 3.39Å; N308-T312 PolarHBondContact O-N 3.29Å; N308-T312 PolarHBondContact O-OG1 3.41Å |
| 309 | K | 77.7 | Confident | 78.2 | Confident | 127 Ų | 127 | 86.1 Ų | 86.1 | 55% | 0.552 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -62.2 | -34.6 | 173.4 | -78.5 | 172.9 | -177.1 | 162.4 | 0 | 112.3 | E305 T312 | E305-K309 WeakPolarHBondContact O-CB 3.16Å; E305-K309 VanDerWaalsContact O-CG 3.31Å; E305-K309 WeakPolarHBondContact O-CG 3.47Å; E305-K309 PolarHBondContact O-N 3.42Å; E305-K309 IonicContact OE2-NZ 2.81Å; K309-T312 PolarHBondContact O-OG1 3.31Å |
| 310 | K | 63.7 | Low | 77.1 | Confident | 91 Ų | 91 | 91.8 Ų | 91.8 | 40% | 0.396 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.6 | -32.2 | 177.7 | -76.4 | -167.9 | 178.8 | -175.9 | 0 | 114.1 | Y260 V306 L307 N308 T312 D313 D314 | Y260-K310 HydrophobicContact CE1-CD 3.95Å; V306-K310 PolarHBondContact O-N 2.92Å; L307-K310 PolarHBondContact O-N 3.2Å; N308-K310 VanDerWaalsContact C-N 3.28Å; N308-K310 PolarHBondContact O-N 3.38Å; K310-T312 PolarHBondContact O-N 3.26Å; K310-D313 PolarHBondContact O-N 2.85Å; K310-D314 PolarHBondContact O-N 3.17Å |
| 311 | V | 59.3 | Low | 76 | Confident | 107 Ų | 107 | 92.9 Ų | 92.9 | 65% | 0.648 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -66.9 | -19 | 176.4 | 175.9 | 0 | 0 | 0 | 0 | 112.3 | L307 N308 | L307-V311 WeakPolarHBondContact O-CG2 3.3Å; L307-V311 PolarHBondContact O-N 3.48Å; N308-V311 PolarHBondContact O-N 3.39Å |
| 312 | T | 53.7 | Low | 74.8 | Confident | 112 Ų | 112 | 91.2 Ų | 91.2 | 69% | 0.687 | 48% | 0.478 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -12 | 176 | 37.9 | 0 | 0 | 0 | 0 | 113.9 | N308 K309 K310 | N308-T312 PolarHBondContact O-N 3.29Å; N308-T312 PolarHBondContact O-OG1 3.41Å; K309-T312 PolarHBondContact O-OG1 3.31Å; K310-T312 PolarHBondContact O-N 3.26Å |
| 313 | D | 52.5 | Low | 73.4 | Confident | 142 Ų | 142 | 95.9 Ų | 95.9 | 76% | 0.759 | 51% | 0.506 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100 | -11.1 | 179.3 | -76 | -22.5 | 0 | 0 | 0 | 113.5 | K310 | K310-D313 PolarHBondContact O-N 2.85Š|
| 314 | D | 45.5 | Very low | 71.8 | Confident | 204 Ų | 204 | 104.2 Ų | 104.2 | 100% | 1.091 | 55% | 0.549 | S | S | * | . | trans | -98.4 | 0 | 171.8 | -78.3 | -24.6 | 0 | 0 | 0 | 111.5 | K310 | K310-D314 PolarHBondContact O-N 3.17Š|
Retrieved 314 of 314 residues in 314.6 ms
(Link to these results)